USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.361 (180deg=0) USER MOD Single : A 2 TYR OH : rot -150:sc= 0.0116 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 31:sc= 0.585 USER MOD Single : A 16 THR OG1 : rot -169:sc= 0.223 USER MOD Single : A 18 GLN : amide:sc= -2.5 K(o=-2.5,f=-1.6) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 29 SER OG : rot -115:sc= 0.732 USER MOD Single : A 33 SER OG : rot 160:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -50:sc= 0.0562 USER MOD Single : A 50 SER OG : rot 106:sc= 1.17 USER MOD Single : A 58 THR OG1 : rot -21:sc= 0.848 USER MOD Single : A 59 TYR OH : rot 146:sc= -0.77 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.11 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -91:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.987 -13.701 10.609 1.00 0.00 N ATOM 2 CA ALA A 1 4.594 -12.388 10.979 1.00 0.00 C ATOM 3 C ALA A 1 5.943 -12.364 10.264 1.00 0.00 C ATOM 4 O ALA A 1 6.344 -13.399 9.767 1.00 0.00 O ATOM 5 CB ALA A 1 4.812 -12.292 12.508 1.00 0.00 C ATOM 0 H1 ALA A 1 3.190 -13.544 9.960 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.702 -14.295 10.143 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.646 -14.180 11.467 1.00 0.00 H new ATOM 0 HA ALA A 1 3.951 -11.554 10.696 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.255 -11.327 12.752 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.854 -12.392 13.019 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.480 -13.090 12.831 1.00 0.00 H new ATOM 13 N TYR A 2 6.594 -11.232 10.230 1.00 0.00 N ATOM 14 CA TYR A 2 7.920 -11.159 9.536 1.00 0.00 C ATOM 15 C TYR A 2 8.978 -10.655 10.529 1.00 0.00 C ATOM 16 O TYR A 2 8.847 -10.910 11.712 1.00 0.00 O ATOM 17 CB TYR A 2 7.713 -10.222 8.294 1.00 0.00 C ATOM 18 CG TYR A 2 6.449 -10.751 7.575 1.00 0.00 C ATOM 19 CD1 TYR A 2 6.465 -11.979 6.937 1.00 0.00 C ATOM 20 CD2 TYR A 2 5.273 -10.023 7.580 1.00 0.00 C ATOM 21 CE1 TYR A 2 5.330 -12.470 6.324 1.00 0.00 C ATOM 22 CE2 TYR A 2 4.140 -10.516 6.964 1.00 0.00 C ATOM 23 CZ TYR A 2 4.164 -11.743 6.334 1.00 0.00 C ATOM 24 OH TYR A 2 3.037 -12.258 5.731 1.00 0.00 O ATOM 0 H TYR A 2 6.271 -10.359 10.648 1.00 0.00 H new ATOM 0 HA TYR A 2 8.282 -12.125 9.185 1.00 0.00 H new ATOM 0 HB2 TYR A 2 7.582 -9.185 8.604 1.00 0.00 H new ATOM 0 HB3 TYR A 2 8.580 -10.250 7.634 1.00 0.00 H new ATOM 0 HD1 TYR A 2 7.376 -12.559 6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 2 5.241 -9.061 8.070 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.359 -13.432 5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 2 3.228 -9.937 6.975 1.00 0.00 H new ATOM 0 HH TYR A 2 2.481 -11.524 5.396 1.00 0.00 H new ATOM 34 N ARG A 3 9.982 -9.967 10.046 1.00 0.00 N ATOM 35 CA ARG A 3 11.066 -9.439 10.937 1.00 0.00 C ATOM 36 C ARG A 3 12.123 -8.678 10.111 1.00 0.00 C ATOM 37 O ARG A 3 12.528 -7.608 10.514 1.00 0.00 O ATOM 38 CB ARG A 3 11.772 -10.615 11.703 1.00 0.00 C ATOM 39 CG ARG A 3 11.774 -10.285 13.213 1.00 0.00 C ATOM 40 CD ARG A 3 12.515 -11.379 14.003 1.00 0.00 C ATOM 41 NE ARG A 3 11.812 -12.683 13.783 1.00 0.00 N ATOM 42 CZ ARG A 3 12.398 -13.783 14.152 1.00 0.00 C ATOM 43 NH1 ARG A 3 13.166 -14.384 13.295 1.00 0.00 N ATOM 44 NH2 ARG A 3 12.181 -14.210 15.360 1.00 0.00 N ATOM 0 H ARG A 3 10.100 -9.745 9.058 1.00 0.00 H new ATOM 0 HA ARG A 3 10.606 -8.760 11.655 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.249 -11.554 11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 3 12.792 -10.744 11.342 1.00 0.00 H new ATOM 0 HG2 ARG A 3 12.253 -9.320 13.380 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.749 -10.199 13.574 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.552 -11.447 13.674 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.533 -11.133 15.065 1.00 0.00 H new ATOM 0 HE ARG A 3 10.888 -12.708 13.351 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.295 -13.991 12.363 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.640 -15.249 13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.568 -13.686 15.984 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.624 -15.070 15.684 1.00 0.00 H new ATOM 58 N PRO A 4 12.562 -9.228 8.997 1.00 0.00 N ATOM 59 CA PRO A 4 13.258 -8.426 7.954 1.00 0.00 C ATOM 60 C PRO A 4 12.278 -7.475 7.240 1.00 0.00 C ATOM 61 O PRO A 4 11.318 -6.994 7.807 1.00 0.00 O ATOM 62 CB PRO A 4 13.892 -9.514 7.052 1.00 0.00 C ATOM 63 CG PRO A 4 12.823 -10.628 7.109 1.00 0.00 C ATOM 64 CD PRO A 4 12.474 -10.667 8.603 1.00 0.00 C ATOM 0 HA PRO A 4 14.018 -7.742 8.332 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.058 -9.157 6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.856 -9.851 7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.955 -10.391 6.494 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.212 -11.583 6.757 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.478 -11.074 8.776 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.173 -11.285 9.166 1.00 0.00 H new ATOM 72 N SER A 5 12.557 -7.243 5.995 1.00 0.00 N ATOM 73 CA SER A 5 11.727 -6.351 5.147 1.00 0.00 C ATOM 74 C SER A 5 12.084 -6.761 3.715 1.00 0.00 C ATOM 75 O SER A 5 13.058 -7.473 3.526 1.00 0.00 O ATOM 76 CB SER A 5 12.139 -4.915 5.450 1.00 0.00 C ATOM 77 OG SER A 5 11.117 -4.117 4.875 1.00 0.00 O ATOM 0 H SER A 5 13.357 -7.650 5.511 1.00 0.00 H new ATOM 0 HA SER A 5 10.652 -6.425 5.314 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.218 -4.744 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.112 -4.683 5.018 1.00 0.00 H new ATOM 0 HG SER A 5 11.314 -3.170 5.032 1.00 0.00 H new ATOM 83 N GLU A 6 11.314 -6.317 2.765 1.00 0.00 N ATOM 84 CA GLU A 6 11.573 -6.655 1.333 1.00 0.00 C ATOM 85 C GLU A 6 11.066 -5.527 0.404 1.00 0.00 C ATOM 86 O GLU A 6 10.693 -4.447 0.840 1.00 0.00 O ATOM 87 CB GLU A 6 10.860 -8.044 1.001 1.00 0.00 C ATOM 88 CG GLU A 6 9.588 -8.283 1.874 1.00 0.00 C ATOM 89 CD GLU A 6 8.782 -6.995 1.927 1.00 0.00 C ATOM 90 OE1 GLU A 6 8.395 -6.584 0.853 1.00 0.00 O ATOM 91 OE2 GLU A 6 8.629 -6.516 3.039 1.00 0.00 O ATOM 0 H GLU A 6 10.500 -5.723 2.920 1.00 0.00 H new ATOM 0 HA GLU A 6 12.645 -6.752 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.583 -8.064 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.566 -8.859 1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.986 -9.088 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.873 -8.592 2.880 1.00 0.00 H new ATOM 98 N THR A 7 11.091 -5.834 -0.863 1.00 0.00 N ATOM 99 CA THR A 7 10.647 -4.900 -1.937 1.00 0.00 C ATOM 100 C THR A 7 10.009 -5.798 -2.990 1.00 0.00 C ATOM 101 O THR A 7 10.613 -6.814 -3.289 1.00 0.00 O ATOM 102 CB THR A 7 11.875 -4.170 -2.512 1.00 0.00 C ATOM 103 OG1 THR A 7 12.816 -5.184 -2.867 1.00 0.00 O ATOM 104 CG2 THR A 7 12.609 -3.368 -1.436 1.00 0.00 C ATOM 0 H THR A 7 11.416 -6.735 -1.212 1.00 0.00 H new ATOM 0 HA THR A 7 9.952 -4.138 -1.584 1.00 0.00 H new ATOM 0 HB THR A 7 11.541 -3.524 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.337 -5.996 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.470 -2.867 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.934 -2.624 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.947 -4.041 -0.648 1.00 0.00 H new ATOM 112 N LEU A 8 8.868 -5.430 -3.510 1.00 0.00 N ATOM 113 CA LEU A 8 8.202 -6.287 -4.549 1.00 0.00 C ATOM 114 C LEU A 8 7.653 -5.390 -5.647 1.00 0.00 C ATOM 115 O LEU A 8 7.437 -4.218 -5.406 1.00 0.00 O ATOM 116 CB LEU A 8 6.997 -7.048 -3.992 1.00 0.00 C ATOM 117 CG LEU A 8 7.301 -7.790 -2.674 1.00 0.00 C ATOM 118 CD1 LEU A 8 6.738 -6.969 -1.518 1.00 0.00 C ATOM 119 CD2 LEU A 8 6.628 -9.154 -2.658 1.00 0.00 C ATOM 0 H LEU A 8 8.366 -4.577 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 8 8.953 -6.993 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.178 -6.348 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.655 -7.768 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 8 8.379 -7.921 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.943 -7.478 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.207 -5.985 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.661 -6.856 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.855 -9.661 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.549 -9.029 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.997 -9.752 -3.492 1.00 0.00 H new ATOM 131 N CYS A 9 7.424 -5.925 -6.817 1.00 0.00 N ATOM 132 CA CYS A 9 6.877 -5.041 -7.893 1.00 0.00 C ATOM 133 C CYS A 9 5.968 -5.785 -8.869 1.00 0.00 C ATOM 134 O CYS A 9 5.809 -6.988 -8.809 1.00 0.00 O ATOM 135 CB CYS A 9 8.025 -4.400 -8.676 1.00 0.00 C ATOM 136 SG CYS A 9 7.457 -3.123 -9.825 1.00 0.00 S ATOM 0 H CYS A 9 7.584 -6.900 -7.072 1.00 0.00 H new ATOM 0 HA CYS A 9 6.276 -4.280 -7.395 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.737 -3.963 -7.976 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.557 -5.173 -9.231 1.00 0.00 H new ATOM 141 N GLY A 10 5.368 -5.023 -9.744 1.00 0.00 N ATOM 142 CA GLY A 10 4.448 -5.602 -10.778 1.00 0.00 C ATOM 143 C GLY A 10 3.362 -6.500 -10.174 1.00 0.00 C ATOM 144 O GLY A 10 2.847 -6.201 -9.118 1.00 0.00 O ATOM 0 H GLY A 10 5.475 -4.010 -9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.975 -4.791 -11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.032 -6.179 -11.495 1.00 0.00 H new ATOM 148 N GLY A 11 3.040 -7.577 -10.851 1.00 0.00 N ATOM 149 CA GLY A 11 1.987 -8.518 -10.343 1.00 0.00 C ATOM 150 C GLY A 11 2.323 -8.982 -8.931 1.00 0.00 C ATOM 151 O GLY A 11 1.494 -8.937 -8.045 1.00 0.00 O ATOM 0 H GLY A 11 3.463 -7.847 -11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.016 -8.023 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.910 -9.379 -11.007 1.00 0.00 H new ATOM 155 N GLU A 12 3.546 -9.409 -8.772 1.00 0.00 N ATOM 156 CA GLU A 12 4.040 -9.899 -7.447 1.00 0.00 C ATOM 157 C GLU A 12 3.634 -8.891 -6.370 1.00 0.00 C ATOM 158 O GLU A 12 2.990 -9.222 -5.393 1.00 0.00 O ATOM 159 CB GLU A 12 5.561 -10.024 -7.544 1.00 0.00 C ATOM 160 CG GLU A 12 6.209 -10.260 -6.164 1.00 0.00 C ATOM 161 CD GLU A 12 7.697 -9.909 -6.302 1.00 0.00 C ATOM 162 OE1 GLU A 12 7.954 -8.728 -6.501 1.00 0.00 O ATOM 163 OE2 GLU A 12 8.482 -10.833 -6.206 1.00 0.00 O ATOM 0 H GLU A 12 4.240 -9.441 -9.519 1.00 0.00 H new ATOM 0 HA GLU A 12 3.613 -10.867 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.816 -10.848 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.972 -9.117 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.735 -9.639 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.085 -11.297 -5.852 1.00 0.00 H new ATOM 170 N LEU A 13 4.035 -7.669 -6.592 1.00 0.00 N ATOM 171 CA LEU A 13 3.695 -6.605 -5.616 1.00 0.00 C ATOM 172 C LEU A 13 2.190 -6.617 -5.281 1.00 0.00 C ATOM 173 O LEU A 13 1.816 -6.370 -4.151 1.00 0.00 O ATOM 174 CB LEU A 13 4.187 -5.241 -6.237 1.00 0.00 C ATOM 175 CG LEU A 13 3.525 -4.013 -5.616 1.00 0.00 C ATOM 176 CD1 LEU A 13 3.924 -4.014 -4.163 1.00 0.00 C ATOM 177 CD2 LEU A 13 4.061 -2.735 -6.300 1.00 0.00 C ATOM 0 H LEU A 13 4.578 -7.367 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 13 4.193 -6.765 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.267 -5.163 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.989 -5.247 -7.309 1.00 0.00 H new ATOM 0 HG LEU A 13 2.442 -4.036 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.478 -3.154 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.573 -4.931 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.010 -3.957 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.588 -1.859 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.140 -2.674 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.833 -2.770 -7.365 1.00 0.00 H new ATOM 189 N VAL A 14 1.360 -6.915 -6.241 1.00 0.00 N ATOM 190 CA VAL A 14 -0.109 -6.931 -5.945 1.00 0.00 C ATOM 191 C VAL A 14 -0.387 -7.933 -4.798 1.00 0.00 C ATOM 192 O VAL A 14 -1.257 -7.716 -3.968 1.00 0.00 O ATOM 193 CB VAL A 14 -0.881 -7.349 -7.239 1.00 0.00 C ATOM 194 CG1 VAL A 14 -2.394 -7.176 -7.029 1.00 0.00 C ATOM 195 CG2 VAL A 14 -0.455 -6.448 -8.427 1.00 0.00 C ATOM 0 H VAL A 14 1.622 -7.144 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.445 -5.942 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.647 -8.392 -7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.923 -7.470 -7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.720 -7.803 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.613 -6.132 -6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.998 -6.747 -9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.683 -5.408 -8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.616 -6.555 -8.599 1.00 0.00 H new ATOM 205 N ASP A 15 0.368 -9.003 -4.782 1.00 0.00 N ATOM 206 CA ASP A 15 0.169 -10.031 -3.711 1.00 0.00 C ATOM 207 C ASP A 15 0.474 -9.450 -2.330 1.00 0.00 C ATOM 208 O ASP A 15 -0.232 -9.727 -1.375 1.00 0.00 O ATOM 209 CB ASP A 15 1.099 -11.249 -3.918 1.00 0.00 C ATOM 210 CG ASP A 15 0.585 -12.380 -3.007 1.00 0.00 C ATOM 211 OD1 ASP A 15 -0.448 -12.938 -3.351 1.00 0.00 O ATOM 212 OD2 ASP A 15 1.253 -12.620 -2.016 1.00 0.00 O ATOM 0 H ASP A 15 1.106 -9.209 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.874 -10.342 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.093 -11.564 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.129 -10.993 -3.668 1.00 0.00 H new ATOM 217 N THR A 16 1.516 -8.647 -2.264 1.00 0.00 N ATOM 218 CA THR A 16 1.909 -8.026 -0.949 1.00 0.00 C ATOM 219 C THR A 16 0.659 -7.394 -0.292 1.00 0.00 C ATOM 220 O THR A 16 0.461 -7.422 0.908 1.00 0.00 O ATOM 221 CB THR A 16 3.048 -6.948 -1.206 1.00 0.00 C ATOM 222 OG1 THR A 16 3.755 -6.836 0.028 1.00 0.00 O ATOM 223 CG2 THR A 16 2.554 -5.507 -1.395 1.00 0.00 C ATOM 0 H THR A 16 2.108 -8.396 -3.056 1.00 0.00 H new ATOM 0 HA THR A 16 2.303 -8.780 -0.267 1.00 0.00 H new ATOM 0 HB THR A 16 3.582 -7.282 -2.095 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.364 -6.069 -0.012 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.407 -4.849 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.885 -5.462 -2.254 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.019 -5.186 -0.501 1.00 0.00 H new ATOM 231 N LEU A 17 -0.185 -6.820 -1.098 1.00 0.00 N ATOM 232 CA LEU A 17 -1.391 -6.217 -0.503 1.00 0.00 C ATOM 233 C LEU A 17 -2.387 -7.332 -0.329 1.00 0.00 C ATOM 234 O LEU A 17 -2.939 -7.444 0.736 1.00 0.00 O ATOM 235 CB LEU A 17 -1.994 -5.236 -1.412 1.00 0.00 C ATOM 236 CG LEU A 17 -0.940 -4.283 -1.926 1.00 0.00 C ATOM 237 CD1 LEU A 17 -1.510 -3.483 -3.033 1.00 0.00 C ATOM 238 CD2 LEU A 17 -0.709 -3.287 -0.822 1.00 0.00 C ATOM 0 H LEU A 17 -0.093 -6.746 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.129 -5.721 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.470 -5.749 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.775 -4.680 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.051 -4.830 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.755 -2.793 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.827 -4.148 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.369 -2.919 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.047 -2.567 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.640 -2.764 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.367 -3.808 0.072 1.00 0.00 H new ATOM 250 N GLN A 18 -2.596 -8.114 -1.361 1.00 0.00 N ATOM 251 CA GLN A 18 -3.577 -9.240 -1.274 1.00 0.00 C ATOM 252 C GLN A 18 -3.513 -9.866 0.115 1.00 0.00 C ATOM 253 O GLN A 18 -4.531 -9.942 0.776 1.00 0.00 O ATOM 254 CB GLN A 18 -3.237 -10.292 -2.363 1.00 0.00 C ATOM 255 CG GLN A 18 -4.434 -11.251 -2.658 1.00 0.00 C ATOM 256 CD GLN A 18 -4.815 -12.126 -1.450 1.00 0.00 C ATOM 257 OE1 GLN A 18 -4.269 -13.183 -1.221 1.00 0.00 O ATOM 258 NE2 GLN A 18 -5.754 -11.748 -0.634 1.00 0.00 N ATOM 0 H GLN A 18 -2.128 -8.020 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.589 -8.870 -1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.950 -9.780 -3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.376 -10.878 -2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.299 -10.661 -2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.178 -11.895 -3.500 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.240 -10.865 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.005 -12.335 0.162 1.00 0.00 H new ATOM 267 N PHE A 19 -2.334 -10.273 0.513 1.00 0.00 N ATOM 268 CA PHE A 19 -2.250 -10.884 1.863 1.00 0.00 C ATOM 269 C PHE A 19 -2.596 -9.812 2.918 1.00 0.00 C ATOM 270 O PHE A 19 -3.360 -10.137 3.805 1.00 0.00 O ATOM 271 CB PHE A 19 -0.807 -11.484 2.082 1.00 0.00 C ATOM 272 CG PHE A 19 0.215 -10.503 2.677 1.00 0.00 C ATOM 273 CD1 PHE A 19 0.214 -10.222 4.033 1.00 0.00 C ATOM 274 CD2 PHE A 19 1.146 -9.893 1.872 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.132 -9.343 4.568 1.00 0.00 C ATOM 276 CE2 PHE A 19 2.063 -9.016 2.406 1.00 0.00 C ATOM 277 CZ PHE A 19 2.058 -8.743 3.744 1.00 0.00 C ATOM 0 H PHE A 19 -1.464 -10.211 -0.015 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.964 -11.702 1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.885 -12.349 2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.429 -11.844 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.512 -10.695 4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.159 -10.103 0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.125 -9.127 5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.790 -8.542 1.764 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.781 -8.055 4.157 1.00 0.00 H new ATOM 287 N VAL A 20 -2.078 -8.600 2.868 1.00 0.00 N ATOM 288 CA VAL A 20 -2.479 -7.633 3.922 1.00 0.00 C ATOM 289 C VAL A 20 -3.854 -6.931 3.727 1.00 0.00 C ATOM 290 O VAL A 20 -4.724 -7.026 4.575 1.00 0.00 O ATOM 291 CB VAL A 20 -1.267 -6.664 3.992 1.00 0.00 C ATOM 292 CG1 VAL A 20 -1.583 -5.218 3.635 1.00 0.00 C ATOM 293 CG2 VAL A 20 -0.727 -6.701 5.382 1.00 0.00 C ATOM 0 H VAL A 20 -1.421 -8.258 2.167 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.678 -8.140 4.866 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.551 -7.008 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.676 -4.618 3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.964 -5.170 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.335 -4.830 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.127 -6.028 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.501 -6.386 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.411 -7.716 5.623 1.00 0.00 H new ATOM 303 N CYS A 21 -4.022 -6.242 2.626 1.00 0.00 N ATOM 304 CA CYS A 21 -5.293 -5.526 2.336 1.00 0.00 C ATOM 305 C CYS A 21 -6.609 -6.240 2.671 1.00 0.00 C ATOM 306 O CYS A 21 -7.384 -5.769 3.484 1.00 0.00 O ATOM 307 CB CYS A 21 -5.273 -5.161 0.878 1.00 0.00 C ATOM 308 SG CYS A 21 -6.883 -4.830 0.121 1.00 0.00 S ATOM 0 H CYS A 21 -3.311 -6.146 1.901 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.305 -4.671 3.012 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.647 -4.278 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.795 -5.971 0.328 1.00 0.00 H new ATOM 313 N GLY A 22 -6.841 -7.357 2.028 1.00 0.00 N ATOM 314 CA GLY A 22 -8.104 -8.113 2.303 1.00 0.00 C ATOM 315 C GLY A 22 -9.093 -8.295 1.135 1.00 0.00 C ATOM 316 O GLY A 22 -8.727 -8.620 0.022 1.00 0.00 O ATOM 0 H GLY A 22 -6.221 -7.775 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.831 -9.102 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.629 -7.607 3.113 1.00 0.00 H new ATOM 320 N ASP A 23 -10.342 -8.068 1.465 1.00 0.00 N ATOM 321 CA ASP A 23 -11.526 -8.184 0.540 1.00 0.00 C ATOM 322 C ASP A 23 -12.064 -6.923 -0.190 1.00 0.00 C ATOM 323 O ASP A 23 -13.214 -6.556 -0.014 1.00 0.00 O ATOM 324 CB ASP A 23 -12.677 -8.842 1.390 1.00 0.00 C ATOM 325 CG ASP A 23 -13.073 -7.967 2.585 1.00 0.00 C ATOM 326 OD1 ASP A 23 -12.171 -7.631 3.341 1.00 0.00 O ATOM 327 OD2 ASP A 23 -14.242 -7.646 2.719 1.00 0.00 O ATOM 0 H ASP A 23 -10.608 -7.786 2.408 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.165 -8.768 -0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.548 -9.007 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.352 -9.819 1.747 1.00 0.00 H new ATOM 332 N ARG A 24 -11.278 -6.258 -1.003 1.00 0.00 N ATOM 333 CA ARG A 24 -11.832 -5.052 -1.684 1.00 0.00 C ATOM 334 C ARG A 24 -10.928 -4.641 -2.816 1.00 0.00 C ATOM 335 O ARG A 24 -11.370 -4.151 -3.836 1.00 0.00 O ATOM 336 CB ARG A 24 -11.949 -3.900 -0.682 1.00 0.00 C ATOM 337 CG ARG A 24 -10.649 -3.784 0.203 1.00 0.00 C ATOM 338 CD ARG A 24 -10.945 -4.334 1.595 1.00 0.00 C ATOM 339 NE ARG A 24 -12.122 -3.536 2.029 1.00 0.00 N ATOM 340 CZ ARG A 24 -13.163 -4.063 2.609 1.00 0.00 C ATOM 341 NH1 ARG A 24 -13.091 -5.271 3.067 1.00 0.00 N ATOM 342 NH2 ARG A 24 -14.229 -3.326 2.682 1.00 0.00 N ATOM 0 H ARG A 24 -10.308 -6.490 -1.218 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.819 -5.291 -2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.114 -2.964 -1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.816 -4.058 -0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.831 -4.340 -0.255 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.330 -2.744 0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.169 -5.400 1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.098 -4.203 2.269 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.114 -2.529 1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.225 -5.802 2.972 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.900 -5.693 3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.224 -2.382 2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.072 -3.691 3.126 1.00 0.00 H new ATOM 356 N GLY A 25 -9.668 -4.853 -2.577 1.00 0.00 N ATOM 357 CA GLY A 25 -8.657 -4.501 -3.587 1.00 0.00 C ATOM 358 C GLY A 25 -7.756 -3.447 -2.945 1.00 0.00 C ATOM 359 O GLY A 25 -7.834 -3.261 -1.749 1.00 0.00 O ATOM 0 H GLY A 25 -9.299 -5.258 -1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.080 -5.378 -3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.128 -4.112 -4.489 1.00 0.00 H new ATOM 363 N PHE A 26 -6.939 -2.779 -3.711 1.00 0.00 N ATOM 364 CA PHE A 26 -6.005 -1.734 -3.159 1.00 0.00 C ATOM 365 C PHE A 26 -5.693 -0.760 -4.269 1.00 0.00 C ATOM 366 O PHE A 26 -6.012 -1.008 -5.417 1.00 0.00 O ATOM 367 CB PHE A 26 -4.687 -2.372 -2.699 1.00 0.00 C ATOM 368 CG PHE A 26 -4.654 -3.782 -3.265 1.00 0.00 C ATOM 369 CD1 PHE A 26 -4.477 -4.012 -4.605 1.00 0.00 C ATOM 370 CD2 PHE A 26 -4.839 -4.828 -2.416 1.00 0.00 C ATOM 371 CE1 PHE A 26 -4.492 -5.295 -5.076 1.00 0.00 C ATOM 372 CE2 PHE A 26 -4.855 -6.114 -2.870 1.00 0.00 C ATOM 373 CZ PHE A 26 -4.681 -6.361 -4.214 1.00 0.00 C ATOM 0 H PHE A 26 -6.872 -2.911 -4.720 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.477 -1.242 -2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.834 -1.794 -3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.627 -2.392 -1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.327 -3.185 -5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.976 -4.637 -1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.355 -5.479 -6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.003 -6.932 -2.181 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.692 -7.373 -4.590 1.00 0.00 H new ATOM 383 N TYR A 27 -5.079 0.319 -3.886 1.00 0.00 N ATOM 384 CA TYR A 27 -4.692 1.366 -4.866 1.00 0.00 C ATOM 385 C TYR A 27 -3.771 2.375 -4.187 1.00 0.00 C ATOM 386 O TYR A 27 -3.673 2.317 -2.983 1.00 0.00 O ATOM 387 CB TYR A 27 -5.976 2.070 -5.432 1.00 0.00 C ATOM 388 CG TYR A 27 -7.151 2.206 -4.437 1.00 0.00 C ATOM 389 CD1 TYR A 27 -6.984 2.484 -3.091 1.00 0.00 C ATOM 390 CD2 TYR A 27 -8.437 2.038 -4.919 1.00 0.00 C ATOM 391 CE1 TYR A 27 -8.082 2.590 -2.257 1.00 0.00 C ATOM 392 CE2 TYR A 27 -9.530 2.143 -4.081 1.00 0.00 C ATOM 393 CZ TYR A 27 -9.359 2.420 -2.744 1.00 0.00 C ATOM 394 OH TYR A 27 -10.433 2.527 -1.881 1.00 0.00 O ATOM 0 H TYR A 27 -4.825 0.524 -2.920 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.159 0.912 -5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.700 3.065 -5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.322 1.512 -6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.990 2.619 -2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.588 1.822 -5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.936 2.809 -1.210 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.525 2.007 -4.478 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.266 2.382 -2.376 1.00 0.00 H new ATOM 404 N PHE A 28 -3.143 3.245 -4.959 1.00 0.00 N ATOM 405 CA PHE A 28 -2.172 4.352 -4.519 1.00 0.00 C ATOM 406 C PHE A 28 -2.533 5.089 -3.218 1.00 0.00 C ATOM 407 O PHE A 28 -1.813 5.942 -2.741 1.00 0.00 O ATOM 408 CB PHE A 28 -2.062 5.405 -5.663 1.00 0.00 C ATOM 409 CG PHE A 28 -0.635 5.971 -5.872 1.00 0.00 C ATOM 410 CD1 PHE A 28 0.336 5.945 -4.893 1.00 0.00 C ATOM 411 CD2 PHE A 28 -0.305 6.522 -7.096 1.00 0.00 C ATOM 412 CE1 PHE A 28 1.594 6.447 -5.123 1.00 0.00 C ATOM 413 CE2 PHE A 28 0.955 7.028 -7.329 1.00 0.00 C ATOM 414 CZ PHE A 28 1.908 6.989 -6.342 1.00 0.00 C ATOM 0 H PHE A 28 -3.272 3.237 -5.971 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.232 3.839 -4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.400 4.950 -6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.740 6.231 -5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.103 5.522 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.046 6.556 -7.881 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.338 6.414 -4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.194 7.457 -8.291 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.897 7.382 -6.524 1.00 0.00 H new ATOM 424 N SER A 29 -3.669 4.743 -2.696 1.00 0.00 N ATOM 425 CA SER A 29 -4.301 5.254 -1.448 1.00 0.00 C ATOM 426 C SER A 29 -4.229 6.751 -1.115 1.00 0.00 C ATOM 427 O SER A 29 -4.551 7.174 -0.021 1.00 0.00 O ATOM 428 CB SER A 29 -3.712 4.438 -0.281 1.00 0.00 C ATOM 429 OG SER A 29 -2.306 4.639 -0.357 1.00 0.00 O ATOM 0 H SER A 29 -4.253 4.038 -3.145 1.00 0.00 H new ATOM 0 HA SER A 29 -5.370 5.126 -1.619 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.107 4.778 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.964 3.382 -0.373 1.00 0.00 H new ATOM 0 HG SER A 29 -1.864 3.788 -0.558 1.00 0.00 H new ATOM 435 N ARG A 30 -3.796 7.479 -2.095 1.00 0.00 N ATOM 436 CA ARG A 30 -3.651 8.943 -2.007 1.00 0.00 C ATOM 437 C ARG A 30 -5.026 9.545 -2.280 1.00 0.00 C ATOM 438 O ARG A 30 -5.959 8.835 -2.602 1.00 0.00 O ATOM 439 CB ARG A 30 -2.613 9.370 -3.066 1.00 0.00 C ATOM 440 CG ARG A 30 -1.231 8.994 -2.521 1.00 0.00 C ATOM 441 CD ARG A 30 -0.218 8.975 -3.649 1.00 0.00 C ATOM 442 NE ARG A 30 1.061 8.520 -3.035 1.00 0.00 N ATOM 443 CZ ARG A 30 1.982 9.368 -2.705 1.00 0.00 C ATOM 444 NH1 ARG A 30 2.597 9.991 -3.663 1.00 0.00 N ATOM 445 NH2 ARG A 30 2.210 9.523 -1.438 1.00 0.00 N ATOM 0 H ARG A 30 -3.524 7.093 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.306 9.283 -1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.802 8.868 -4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.674 10.442 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.925 9.709 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.273 8.016 -2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.532 8.300 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.109 9.964 -4.094 1.00 0.00 H new ATOM 0 HE ARG A 30 1.213 7.525 -2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.348 9.805 -4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.329 10.667 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.674 8.989 -0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.926 10.179 -1.125 1.00 0.00 H new ATOM 459 N PRO A 31 -5.115 10.843 -2.141 1.00 0.00 N ATOM 460 CA PRO A 31 -6.242 11.623 -2.704 1.00 0.00 C ATOM 461 C PRO A 31 -6.126 11.689 -4.241 1.00 0.00 C ATOM 462 O PRO A 31 -5.794 10.720 -4.897 1.00 0.00 O ATOM 463 CB PRO A 31 -6.114 12.969 -1.923 1.00 0.00 C ATOM 464 CG PRO A 31 -4.588 13.114 -1.740 1.00 0.00 C ATOM 465 CD PRO A 31 -4.132 11.682 -1.406 1.00 0.00 C ATOM 0 HA PRO A 31 -7.243 11.210 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.535 13.804 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.635 12.933 -0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.108 13.488 -2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.344 13.811 -0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.111 11.495 -1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.158 11.489 -0.333 1.00 0.00 H new ATOM 473 N ALA A 32 -6.404 12.839 -4.776 1.00 0.00 N ATOM 474 CA ALA A 32 -6.327 13.018 -6.260 1.00 0.00 C ATOM 475 C ALA A 32 -4.906 12.814 -6.810 1.00 0.00 C ATOM 476 O ALA A 32 -3.939 12.673 -6.086 1.00 0.00 O ATOM 477 CB ALA A 32 -6.817 14.436 -6.612 1.00 0.00 C ATOM 0 H ALA A 32 -6.683 13.670 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.958 12.258 -6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.766 14.581 -7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.847 14.559 -6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.185 15.173 -6.117 1.00 0.00 H new ATOM 483 N SER A 33 -4.825 12.805 -8.108 1.00 0.00 N ATOM 484 CA SER A 33 -3.525 12.627 -8.802 1.00 0.00 C ATOM 485 C SER A 33 -3.480 13.889 -9.676 1.00 0.00 C ATOM 486 O SER A 33 -4.201 14.834 -9.418 1.00 0.00 O ATOM 487 CB SER A 33 -3.568 11.342 -9.657 1.00 0.00 C ATOM 488 OG SER A 33 -4.258 10.382 -8.856 1.00 0.00 O ATOM 0 H SER A 33 -5.625 12.916 -8.731 1.00 0.00 H new ATOM 0 HA SER A 33 -2.657 12.518 -8.152 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.087 11.514 -10.600 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.563 10.999 -9.904 1.00 0.00 H new ATOM 0 HG SER A 33 -4.603 9.666 -9.429 1.00 0.00 H new ATOM 494 N ARG A 34 -2.656 13.893 -10.684 1.00 0.00 N ATOM 495 CA ARG A 34 -2.593 15.113 -11.554 1.00 0.00 C ATOM 496 C ARG A 34 -2.380 14.749 -13.020 1.00 0.00 C ATOM 497 O ARG A 34 -1.913 15.555 -13.796 1.00 0.00 O ATOM 498 CB ARG A 34 -1.440 16.044 -11.002 1.00 0.00 C ATOM 499 CG ARG A 34 -1.959 16.744 -9.697 1.00 0.00 C ATOM 500 CD ARG A 34 -0.909 17.666 -9.027 1.00 0.00 C ATOM 501 NE ARG A 34 0.167 16.861 -8.348 1.00 0.00 N ATOM 502 CZ ARG A 34 -0.138 15.979 -7.440 1.00 0.00 C ATOM 503 NH1 ARG A 34 -0.396 14.782 -7.859 1.00 0.00 N ATOM 504 NH2 ARG A 34 -0.174 16.316 -6.186 1.00 0.00 N ATOM 0 H ARG A 34 -2.034 13.128 -10.945 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.543 15.646 -11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.546 15.457 -10.789 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.162 16.788 -11.748 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.845 17.332 -9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.267 15.980 -8.983 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.461 18.317 -9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.400 18.311 -8.298 1.00 0.00 H new ATOM 0 HE ARG A 34 1.144 17.008 -8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.354 14.571 -8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.641 14.050 -7.192 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.037 17.275 -5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.413 15.622 -5.478 1.00 0.00 H new ATOM 518 N VAL A 35 -2.731 13.533 -13.347 1.00 0.00 N ATOM 519 CA VAL A 35 -2.603 13.005 -14.719 1.00 0.00 C ATOM 520 C VAL A 35 -3.937 12.336 -15.149 1.00 0.00 C ATOM 521 O VAL A 35 -4.020 11.610 -16.119 1.00 0.00 O ATOM 522 CB VAL A 35 -1.353 12.092 -14.591 1.00 0.00 C ATOM 523 CG1 VAL A 35 -1.405 10.907 -15.493 1.00 0.00 C ATOM 524 CG2 VAL A 35 -0.109 12.930 -14.937 1.00 0.00 C ATOM 0 H VAL A 35 -3.117 12.863 -12.682 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.449 13.726 -15.522 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.318 11.715 -13.569 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.505 10.307 -15.358 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.281 10.305 -15.253 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.467 11.241 -16.529 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.783 12.309 -14.854 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.196 13.306 -15.956 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.032 13.769 -14.246 1.00 0.00 H new ATOM 534 N SER A 36 -4.963 12.609 -14.390 1.00 0.00 N ATOM 535 CA SER A 36 -6.331 12.047 -14.668 1.00 0.00 C ATOM 536 C SER A 36 -6.463 10.549 -15.017 1.00 0.00 C ATOM 537 O SER A 36 -7.488 10.099 -15.488 1.00 0.00 O ATOM 538 CB SER A 36 -6.907 12.846 -15.793 1.00 0.00 C ATOM 539 OG SER A 36 -7.047 14.160 -15.262 1.00 0.00 O ATOM 0 H SER A 36 -4.916 13.211 -13.568 1.00 0.00 H new ATOM 0 HA SER A 36 -6.857 12.122 -13.716 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.250 12.837 -16.663 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.868 12.443 -16.115 1.00 0.00 H new ATOM 0 HG SER A 36 -7.422 14.752 -15.948 1.00 0.00 H new ATOM 545 N ARG A 37 -5.420 9.823 -14.780 1.00 0.00 N ATOM 546 CA ARG A 37 -5.373 8.348 -15.063 1.00 0.00 C ATOM 547 C ARG A 37 -5.393 7.400 -13.850 1.00 0.00 C ATOM 548 O ARG A 37 -5.562 7.782 -12.706 1.00 0.00 O ATOM 549 CB ARG A 37 -4.096 8.067 -15.926 1.00 0.00 C ATOM 550 CG ARG A 37 -4.450 7.760 -17.398 1.00 0.00 C ATOM 551 CD ARG A 37 -5.160 8.965 -18.050 1.00 0.00 C ATOM 552 NE ARG A 37 -5.426 8.603 -19.477 1.00 0.00 N ATOM 553 CZ ARG A 37 -6.345 9.237 -20.140 1.00 0.00 C ATOM 554 NH1 ARG A 37 -6.037 10.409 -20.602 1.00 0.00 N ATOM 555 NH2 ARG A 37 -7.502 8.665 -20.294 1.00 0.00 N ATOM 0 H ARG A 37 -4.556 10.195 -14.385 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.307 8.122 -15.578 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.433 8.931 -15.885 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.549 7.225 -15.501 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.543 7.522 -17.953 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.094 6.882 -17.447 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.091 9.190 -17.530 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.537 9.857 -17.989 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.888 7.862 -19.927 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.107 10.793 -20.438 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.725 10.946 -21.129 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.670 7.740 -19.898 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.242 9.141 -20.811 1.00 0.00 H new ATOM 569 N ARG A 38 -5.220 6.155 -14.214 1.00 0.00 N ATOM 570 CA ARG A 38 -5.186 4.983 -13.287 1.00 0.00 C ATOM 571 C ARG A 38 -3.725 4.709 -12.879 1.00 0.00 C ATOM 572 O ARG A 38 -3.012 5.608 -12.485 1.00 0.00 O ATOM 573 CB ARG A 38 -5.837 3.812 -14.066 1.00 0.00 C ATOM 574 CG ARG A 38 -7.224 4.271 -14.588 1.00 0.00 C ATOM 575 CD ARG A 38 -7.753 3.267 -15.608 1.00 0.00 C ATOM 576 NE ARG A 38 -8.058 1.957 -14.944 1.00 0.00 N ATOM 577 CZ ARG A 38 -7.978 0.867 -15.648 1.00 0.00 C ATOM 578 NH1 ARG A 38 -8.716 0.804 -16.717 1.00 0.00 N ATOM 579 NH2 ARG A 38 -7.180 -0.087 -15.264 1.00 0.00 N ATOM 0 H ARG A 38 -5.092 5.889 -15.190 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.733 5.145 -12.358 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.200 3.512 -14.898 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.946 2.942 -13.419 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.923 4.361 -13.757 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.142 5.258 -15.044 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.653 3.660 -16.081 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.016 3.119 -16.397 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.323 1.922 -13.960 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.319 1.587 -16.967 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.691 -0.029 -17.305 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.623 0.024 -14.416 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.111 -0.945 -15.811 1.00 0.00 H new ATOM 593 N SER A 39 -3.324 3.473 -12.968 1.00 0.00 N ATOM 594 CA SER A 39 -1.919 3.041 -12.611 1.00 0.00 C ATOM 595 C SER A 39 -1.624 3.177 -11.092 1.00 0.00 C ATOM 596 O SER A 39 -0.593 2.779 -10.590 1.00 0.00 O ATOM 597 CB SER A 39 -0.932 3.907 -13.453 1.00 0.00 C ATOM 598 OG SER A 39 0.288 3.181 -13.463 1.00 0.00 O ATOM 0 H SER A 39 -3.923 2.710 -13.283 1.00 0.00 H new ATOM 0 HA SER A 39 -1.798 1.983 -12.841 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.307 4.059 -14.465 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.799 4.894 -13.010 1.00 0.00 H new ATOM 0 HG SER A 39 0.522 2.922 -12.547 1.00 0.00 H new ATOM 604 N ARG A 40 -2.550 3.751 -10.374 1.00 0.00 N ATOM 605 CA ARG A 40 -2.449 3.961 -8.926 1.00 0.00 C ATOM 606 C ARG A 40 -2.414 2.608 -8.203 1.00 0.00 C ATOM 607 O ARG A 40 -3.167 1.697 -8.480 1.00 0.00 O ATOM 608 CB ARG A 40 -3.658 4.834 -8.684 1.00 0.00 C ATOM 609 CG ARG A 40 -3.389 6.284 -9.251 1.00 0.00 C ATOM 610 CD ARG A 40 -4.559 6.869 -10.070 1.00 0.00 C ATOM 611 NE ARG A 40 -5.770 7.076 -9.215 1.00 0.00 N ATOM 612 CZ ARG A 40 -6.944 6.701 -9.634 1.00 0.00 C ATOM 613 NH1 ARG A 40 -7.332 7.126 -10.809 1.00 0.00 N ATOM 614 NH2 ARG A 40 -7.645 5.927 -8.847 1.00 0.00 N ATOM 0 H ARG A 40 -3.422 4.099 -10.773 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.546 4.438 -8.546 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.534 4.401 -9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.875 4.885 -7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.172 6.953 -8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.498 6.257 -9.879 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.257 7.818 -10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.802 6.196 -10.893 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.675 7.514 -8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.721 7.729 -11.361 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.245 6.855 -11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.267 5.641 -7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.570 5.610 -9.136 1.00 0.00 H new ATOM 628 N GLY A 41 -1.507 2.582 -7.279 1.00 0.00 N ATOM 629 CA GLY A 41 -1.209 1.413 -6.392 1.00 0.00 C ATOM 630 C GLY A 41 0.114 1.765 -5.688 1.00 0.00 C ATOM 631 O GLY A 41 0.540 2.893 -5.834 1.00 0.00 O ATOM 0 H GLY A 41 -0.910 3.386 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.009 1.254 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.114 0.494 -6.971 1.00 0.00 H new ATOM 635 N ILE A 42 0.719 0.846 -4.973 1.00 0.00 N ATOM 636 CA ILE A 42 2.012 1.129 -4.250 1.00 0.00 C ATOM 637 C ILE A 42 3.034 1.645 -5.237 1.00 0.00 C ATOM 638 O ILE A 42 3.462 2.777 -5.265 1.00 0.00 O ATOM 639 CB ILE A 42 2.588 -0.200 -3.561 1.00 0.00 C ATOM 640 CG1 ILE A 42 1.550 -1.345 -3.582 1.00 0.00 C ATOM 641 CG2 ILE A 42 2.922 0.160 -2.114 1.00 0.00 C ATOM 642 CD1 ILE A 42 0.400 -0.829 -2.782 1.00 0.00 C ATOM 0 H ILE A 42 0.370 -0.105 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 42 1.816 1.872 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 42 3.465 -0.549 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.247 -1.586 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.958 -2.257 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.319 -0.717 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.666 0.956 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.019 0.498 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.386 -1.583 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.733 -0.604 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.012 0.078 -3.246 1.00 0.00 H new ATOM 654 N VAL A 43 3.339 0.664 -6.018 1.00 0.00 N ATOM 655 CA VAL A 43 4.333 0.762 -7.133 1.00 0.00 C ATOM 656 C VAL A 43 5.478 1.737 -6.827 1.00 0.00 C ATOM 657 O VAL A 43 6.487 1.279 -6.335 1.00 0.00 O ATOM 658 CB VAL A 43 3.593 1.171 -8.445 1.00 0.00 C ATOM 659 CG1 VAL A 43 2.898 -0.100 -8.946 1.00 0.00 C ATOM 660 CG2 VAL A 43 2.491 2.240 -8.243 1.00 0.00 C ATOM 0 H VAL A 43 2.919 -0.262 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 43 4.795 -0.218 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 43 4.327 1.597 -9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.359 0.119 -9.867 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.644 -0.871 -9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.196 -0.453 -8.190 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.026 2.469 -9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.736 1.859 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.934 3.146 -7.830 1.00 0.00 H new ATOM 670 N GLU A 44 5.382 3.019 -7.067 1.00 0.00 N ATOM 671 CA GLU A 44 6.563 3.877 -6.726 1.00 0.00 C ATOM 672 C GLU A 44 6.991 3.583 -5.280 1.00 0.00 C ATOM 673 O GLU A 44 8.132 3.723 -4.897 1.00 0.00 O ATOM 674 CB GLU A 44 6.152 5.328 -6.927 1.00 0.00 C ATOM 675 CG GLU A 44 6.162 5.531 -8.454 1.00 0.00 C ATOM 676 CD GLU A 44 5.521 6.867 -8.868 1.00 0.00 C ATOM 677 OE1 GLU A 44 4.416 7.099 -8.407 1.00 0.00 O ATOM 678 OE2 GLU A 44 6.156 7.589 -9.621 1.00 0.00 O ATOM 0 H GLU A 44 4.575 3.497 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 44 7.420 3.668 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.164 5.521 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.846 6.008 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.189 5.495 -8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.627 4.710 -8.931 1.00 0.00 H new ATOM 685 N GLU A 45 6.043 3.160 -4.507 1.00 0.00 N ATOM 686 CA GLU A 45 6.300 2.824 -3.091 1.00 0.00 C ATOM 687 C GLU A 45 6.886 1.419 -2.915 1.00 0.00 C ATOM 688 O GLU A 45 8.037 1.332 -2.554 1.00 0.00 O ATOM 689 CB GLU A 45 4.983 2.984 -2.375 1.00 0.00 C ATOM 690 CG GLU A 45 4.738 4.490 -2.275 1.00 0.00 C ATOM 691 CD GLU A 45 3.372 4.814 -1.696 1.00 0.00 C ATOM 692 OE1 GLU A 45 2.849 3.968 -0.993 1.00 0.00 O ATOM 693 OE2 GLU A 45 2.894 5.898 -1.975 1.00 0.00 O ATOM 0 H GLU A 45 5.076 3.030 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 45 7.057 3.488 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.179 2.493 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.019 2.528 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.511 4.941 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.826 4.937 -3.265 1.00 0.00 H new ATOM 700 N CYS A 46 6.186 0.342 -3.168 1.00 0.00 N ATOM 701 CA CYS A 46 6.871 -0.986 -2.946 1.00 0.00 C ATOM 702 C CYS A 46 7.725 -1.381 -4.154 1.00 0.00 C ATOM 703 O CYS A 46 8.670 -2.130 -4.000 1.00 0.00 O ATOM 704 CB CYS A 46 5.821 -2.042 -2.682 1.00 0.00 C ATOM 705 SG CYS A 46 6.375 -3.722 -2.299 1.00 0.00 S ATOM 0 H CYS A 46 5.222 0.310 -3.501 1.00 0.00 H new ATOM 0 HA CYS A 46 7.537 -0.899 -2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.204 -1.698 -1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.175 -2.096 -3.559 1.00 0.00 H new ATOM 710 N CYS A 47 7.379 -0.878 -5.320 1.00 0.00 N ATOM 711 CA CYS A 47 8.190 -1.224 -6.529 1.00 0.00 C ATOM 712 C CYS A 47 9.452 -0.323 -6.448 1.00 0.00 C ATOM 713 O CYS A 47 10.544 -0.835 -6.585 1.00 0.00 O ATOM 714 CB CYS A 47 7.521 -0.897 -7.913 1.00 0.00 C ATOM 715 SG CYS A 47 6.281 -2.009 -8.617 1.00 0.00 S ATOM 0 H CYS A 47 6.587 -0.256 -5.482 1.00 0.00 H new ATOM 0 HA CYS A 47 8.354 -2.301 -6.507 1.00 0.00 H new ATOM 0 HB2 CYS A 47 7.058 0.086 -7.823 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.324 -0.805 -8.645 1.00 0.00 H new ATOM 720 N PHE A 48 9.317 0.980 -6.244 1.00 0.00 N ATOM 721 CA PHE A 48 10.512 1.846 -6.162 1.00 0.00 C ATOM 722 C PHE A 48 11.008 2.115 -4.703 1.00 0.00 C ATOM 723 O PHE A 48 12.206 2.080 -4.497 1.00 0.00 O ATOM 724 CB PHE A 48 10.093 3.083 -6.897 1.00 0.00 C ATOM 725 CG PHE A 48 10.105 2.966 -8.426 1.00 0.00 C ATOM 726 CD1 PHE A 48 9.053 2.355 -9.086 1.00 0.00 C ATOM 727 CD2 PHE A 48 11.145 3.480 -9.168 1.00 0.00 C ATOM 728 CE1 PHE A 48 9.038 2.260 -10.458 1.00 0.00 C ATOM 729 CE2 PHE A 48 11.133 3.386 -10.543 1.00 0.00 C ATOM 730 CZ PHE A 48 10.081 2.776 -11.195 1.00 0.00 C ATOM 0 H PHE A 48 8.425 1.462 -6.133 1.00 0.00 H new ATOM 0 HA PHE A 48 11.391 1.377 -6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.087 3.354 -6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.752 3.901 -6.605 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.232 1.947 -8.515 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.975 3.959 -8.670 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.209 1.781 -10.957 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.954 3.793 -11.115 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.075 2.704 -12.273 1.00 0.00 H new ATOM 740 N ARG A 49 10.161 2.390 -3.733 1.00 0.00 N ATOM 741 CA ARG A 49 10.673 2.632 -2.328 1.00 0.00 C ATOM 742 C ARG A 49 10.738 1.231 -1.656 1.00 0.00 C ATOM 743 O ARG A 49 11.034 0.243 -2.298 1.00 0.00 O ATOM 744 CB ARG A 49 9.692 3.549 -1.506 1.00 0.00 C ATOM 745 CG ARG A 49 9.373 4.909 -2.170 1.00 0.00 C ATOM 746 CD ARG A 49 10.496 5.947 -1.959 1.00 0.00 C ATOM 747 NE ARG A 49 9.904 7.286 -2.288 1.00 0.00 N ATOM 748 CZ ARG A 49 10.657 8.340 -2.363 1.00 0.00 C ATOM 749 NH1 ARG A 49 10.918 8.998 -1.271 1.00 0.00 N ATOM 750 NH2 ARG A 49 11.095 8.648 -3.544 1.00 0.00 N ATOM 0 H ARG A 49 9.149 2.458 -3.845 1.00 0.00 H new ATOM 0 HA ARG A 49 11.640 3.135 -2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.758 3.009 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.125 3.732 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.216 4.760 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.441 5.299 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.857 5.924 -0.931 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.350 5.731 -2.602 1.00 0.00 H new ATOM 0 HE ARG A 49 8.901 7.368 -2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.533 8.682 -0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.508 9.830 -1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.843 8.073 -4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.692 9.466 -3.669 1.00 0.00 H new ATOM 764 N SER A 50 10.473 1.177 -0.378 1.00 0.00 N ATOM 765 CA SER A 50 10.493 -0.101 0.393 1.00 0.00 C ATOM 766 C SER A 50 9.050 -0.574 0.646 1.00 0.00 C ATOM 767 O SER A 50 8.117 0.201 0.545 1.00 0.00 O ATOM 768 CB SER A 50 11.251 0.177 1.706 1.00 0.00 C ATOM 769 OG SER A 50 10.811 1.468 2.120 1.00 0.00 O ATOM 0 H SER A 50 10.235 1.995 0.182 1.00 0.00 H new ATOM 0 HA SER A 50 10.995 -0.899 -0.154 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.025 -0.577 2.460 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.330 0.159 1.550 1.00 0.00 H new ATOM 0 HG SER A 50 10.200 1.377 2.881 1.00 0.00 H new ATOM 775 N CYS A 51 8.881 -1.829 0.973 1.00 0.00 N ATOM 776 CA CYS A 51 7.501 -2.337 1.226 1.00 0.00 C ATOM 777 C CYS A 51 7.192 -2.432 2.736 1.00 0.00 C ATOM 778 O CYS A 51 6.744 -3.452 3.228 1.00 0.00 O ATOM 779 CB CYS A 51 7.380 -3.707 0.541 1.00 0.00 C ATOM 780 SG CYS A 51 5.852 -4.025 -0.372 1.00 0.00 S ATOM 0 H CYS A 51 9.628 -2.516 1.075 1.00 0.00 H new ATOM 0 HA CYS A 51 6.769 -1.642 0.815 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.218 -3.818 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.489 -4.479 1.303 1.00 0.00 H new ATOM 785 N ASP A 52 7.447 -1.353 3.441 1.00 0.00 N ATOM 786 CA ASP A 52 7.175 -1.340 4.914 1.00 0.00 C ATOM 787 C ASP A 52 5.710 -1.749 5.092 1.00 0.00 C ATOM 788 O ASP A 52 4.819 -0.953 4.882 1.00 0.00 O ATOM 789 CB ASP A 52 7.357 0.069 5.496 1.00 0.00 C ATOM 790 CG ASP A 52 8.773 0.598 5.297 1.00 0.00 C ATOM 791 OD1 ASP A 52 9.227 0.542 4.167 1.00 0.00 O ATOM 792 OD2 ASP A 52 9.331 1.035 6.286 1.00 0.00 O ATOM 0 H ASP A 52 7.829 -0.487 3.062 1.00 0.00 H new ATOM 0 HA ASP A 52 7.863 -2.013 5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.648 0.749 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.124 0.053 6.561 1.00 0.00 H new ATOM 797 N LEU A 53 5.528 -2.980 5.468 1.00 0.00 N ATOM 798 CA LEU A 53 4.180 -3.606 5.703 1.00 0.00 C ATOM 799 C LEU A 53 3.055 -2.560 5.880 1.00 0.00 C ATOM 800 O LEU A 53 2.140 -2.459 5.087 1.00 0.00 O ATOM 801 CB LEU A 53 4.306 -4.498 6.952 1.00 0.00 C ATOM 802 CG LEU A 53 3.206 -5.605 7.055 1.00 0.00 C ATOM 803 CD1 LEU A 53 1.781 -5.126 6.806 1.00 0.00 C ATOM 804 CD2 LEU A 53 3.441 -6.737 6.031 1.00 0.00 C ATOM 0 H LEU A 53 6.302 -3.623 5.634 1.00 0.00 H new ATOM 0 HA LEU A 53 3.895 -4.190 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.287 -4.974 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.259 -3.869 7.841 1.00 0.00 H new ATOM 0 HG LEU A 53 3.298 -5.940 8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.093 -5.966 6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.521 -4.361 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.708 -4.708 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.657 -7.488 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.421 -6.325 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.411 -7.198 6.215 1.00 0.00 H new ATOM 816 N ALA A 54 3.173 -1.810 6.940 1.00 0.00 N ATOM 817 CA ALA A 54 2.184 -0.729 7.294 1.00 0.00 C ATOM 818 C ALA A 54 1.574 0.006 6.077 1.00 0.00 C ATOM 819 O ALA A 54 0.392 0.296 6.054 1.00 0.00 O ATOM 820 CB ALA A 54 2.896 0.287 8.207 1.00 0.00 C ATOM 0 H ALA A 54 3.941 -1.899 7.606 1.00 0.00 H new ATOM 0 HA ALA A 54 1.344 -1.213 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.201 1.082 8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.243 -0.216 9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.749 0.715 7.680 1.00 0.00 H new ATOM 826 N LEU A 55 2.401 0.294 5.101 1.00 0.00 N ATOM 827 CA LEU A 55 1.993 0.988 3.861 1.00 0.00 C ATOM 828 C LEU A 55 0.923 0.101 3.218 1.00 0.00 C ATOM 829 O LEU A 55 -0.209 0.491 3.012 1.00 0.00 O ATOM 830 CB LEU A 55 3.271 1.105 3.037 1.00 0.00 C ATOM 831 CG LEU A 55 3.923 2.498 3.101 1.00 0.00 C ATOM 832 CD1 LEU A 55 5.361 2.388 2.509 1.00 0.00 C ATOM 833 CD2 LEU A 55 3.122 3.481 2.239 1.00 0.00 C ATOM 0 H LEU A 55 3.393 0.058 5.127 1.00 0.00 H new ATOM 0 HA LEU A 55 1.568 1.984 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.988 0.362 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.046 0.866 1.998 1.00 0.00 H new ATOM 0 HG LEU A 55 3.948 2.849 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.844 3.364 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.942 1.675 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.304 2.048 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.585 4.467 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.111 3.134 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.100 3.542 2.612 1.00 0.00 H new ATOM 845 N LEU A 56 1.347 -1.093 2.924 1.00 0.00 N ATOM 846 CA LEU A 56 0.457 -2.100 2.297 1.00 0.00 C ATOM 847 C LEU A 56 -0.823 -2.171 3.107 1.00 0.00 C ATOM 848 O LEU A 56 -1.876 -2.235 2.498 1.00 0.00 O ATOM 849 CB LEU A 56 1.179 -3.435 2.290 1.00 0.00 C ATOM 850 CG LEU A 56 2.542 -3.360 1.487 1.00 0.00 C ATOM 851 CD1 LEU A 56 2.552 -2.295 0.368 1.00 0.00 C ATOM 852 CD2 LEU A 56 3.799 -3.212 2.364 1.00 0.00 C ATOM 0 H LEU A 56 2.298 -1.419 3.097 1.00 0.00 H new ATOM 0 HA LEU A 56 0.207 -1.833 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.378 -3.747 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.536 -4.194 1.845 1.00 0.00 H new ATOM 0 HG LEU A 56 2.592 -4.343 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.519 -2.305 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.765 -2.517 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.379 -1.310 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.683 -3.169 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.728 -2.295 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.877 -4.067 3.036 1.00 0.00 H new ATOM 864 N GLU A 57 -0.713 -2.155 4.414 1.00 0.00 N ATOM 865 CA GLU A 57 -1.967 -2.222 5.218 1.00 0.00 C ATOM 866 C GLU A 57 -2.938 -1.122 4.772 1.00 0.00 C ATOM 867 O GLU A 57 -4.065 -1.363 4.385 1.00 0.00 O ATOM 868 CB GLU A 57 -1.623 -2.040 6.693 1.00 0.00 C ATOM 869 CG GLU A 57 -0.702 -3.209 7.091 1.00 0.00 C ATOM 870 CD GLU A 57 -1.508 -4.413 7.615 1.00 0.00 C ATOM 871 OE1 GLU A 57 -2.610 -4.611 7.120 1.00 0.00 O ATOM 872 OE2 GLU A 57 -0.961 -5.071 8.488 1.00 0.00 O ATOM 0 H GLU A 57 0.159 -2.100 4.941 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.443 -3.191 5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.125 -1.084 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.527 -2.037 7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.108 -3.515 6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.003 -2.877 7.858 1.00 0.00 H new ATOM 879 N THR A 58 -2.449 0.085 4.831 1.00 0.00 N ATOM 880 CA THR A 58 -3.287 1.254 4.431 1.00 0.00 C ATOM 881 C THR A 58 -3.481 1.340 2.907 1.00 0.00 C ATOM 882 O THR A 58 -4.072 2.294 2.434 1.00 0.00 O ATOM 883 CB THR A 58 -2.587 2.533 5.040 1.00 0.00 C ATOM 884 OG1 THR A 58 -3.265 3.711 4.611 1.00 0.00 O ATOM 885 CG2 THR A 58 -1.158 2.714 4.526 1.00 0.00 C ATOM 0 H THR A 58 -1.504 0.315 5.139 1.00 0.00 H new ATOM 0 HA THR A 58 -4.301 1.159 4.820 1.00 0.00 H new ATOM 0 HB THR A 58 -2.604 2.390 6.120 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.780 3.515 3.801 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.721 3.606 4.974 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.561 1.843 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.172 2.822 3.441 1.00 0.00 H new ATOM 893 N TYR A 59 -2.994 0.369 2.171 1.00 0.00 N ATOM 894 CA TYR A 59 -3.175 0.430 0.681 1.00 0.00 C ATOM 895 C TYR A 59 -4.455 -0.182 0.159 1.00 0.00 C ATOM 896 O TYR A 59 -4.863 0.066 -0.969 1.00 0.00 O ATOM 897 CB TYR A 59 -1.978 -0.240 0.059 1.00 0.00 C ATOM 898 CG TYR A 59 -1.261 0.911 -0.593 1.00 0.00 C ATOM 899 CD1 TYR A 59 -0.416 1.739 0.103 1.00 0.00 C ATOM 900 CD2 TYR A 59 -1.492 1.128 -1.913 1.00 0.00 C ATOM 901 CE1 TYR A 59 0.194 2.781 -0.534 1.00 0.00 C ATOM 902 CE2 TYR A 59 -0.884 2.163 -2.540 1.00 0.00 C ATOM 903 CZ TYR A 59 -0.039 2.994 -1.862 1.00 0.00 C ATOM 904 OH TYR A 59 0.557 4.027 -2.533 1.00 0.00 O ATOM 0 H TYR A 59 -2.491 -0.445 2.524 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.256 1.481 0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.356 -0.734 0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.270 -0.999 -0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.234 1.566 1.153 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.158 0.478 -2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.859 3.435 0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.070 2.333 -3.590 1.00 0.00 H new ATOM 0 HH TYR A 59 0.741 3.754 -3.456 1.00 0.00 H new ATOM 914 N CYS A 60 -5.018 -0.977 1.016 1.00 0.00 N ATOM 915 CA CYS A 60 -6.282 -1.654 0.672 1.00 0.00 C ATOM 916 C CYS A 60 -7.346 -0.626 0.294 1.00 0.00 C ATOM 917 O CYS A 60 -7.228 0.561 0.530 1.00 0.00 O ATOM 918 CB CYS A 60 -6.745 -2.433 1.867 1.00 0.00 C ATOM 919 SG CYS A 60 -7.895 -3.773 1.512 1.00 0.00 S ATOM 0 H CYS A 60 -4.652 -1.186 1.945 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.121 -2.319 -0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.872 -2.849 2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.219 -1.745 2.567 1.00 0.00 H new ATOM 924 N ALA A 61 -8.388 -1.134 -0.293 1.00 0.00 N ATOM 925 CA ALA A 61 -9.507 -0.244 -0.710 1.00 0.00 C ATOM 926 C ALA A 61 -10.510 -0.105 0.442 1.00 0.00 C ATOM 927 O ALA A 61 -11.580 0.435 0.254 1.00 0.00 O ATOM 928 CB ALA A 61 -10.161 -0.855 -1.964 1.00 0.00 C ATOM 0 H ALA A 61 -8.516 -2.124 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.145 0.756 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.985 -0.221 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.421 -0.928 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.540 -1.850 -1.729 1.00 0.00 H new ATOM 934 N THR A 62 -10.111 -0.593 1.599 1.00 0.00 N ATOM 935 CA THR A 62 -10.920 -0.572 2.867 1.00 0.00 C ATOM 936 C THR A 62 -12.485 -0.678 2.703 1.00 0.00 C ATOM 937 O THR A 62 -12.976 -1.066 1.656 1.00 0.00 O ATOM 938 CB THR A 62 -10.348 0.742 3.583 1.00 0.00 C ATOM 939 OG1 THR A 62 -11.370 1.451 4.258 1.00 0.00 O ATOM 940 CG2 THR A 62 -9.651 1.751 2.651 1.00 0.00 C ATOM 0 H THR A 62 -9.198 -1.032 1.719 1.00 0.00 H new ATOM 0 HA THR A 62 -10.802 -1.469 3.474 1.00 0.00 H new ATOM 0 HB THR A 62 -9.601 0.342 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.989 2.246 4.686 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.301 2.603 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.802 1.271 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.356 2.094 1.894 1.00 0.00 H new ATOM 948 N PRO A 63 -13.292 -0.398 3.683 1.00 0.00 N ATOM 949 CA PRO A 63 -14.640 0.163 3.411 1.00 0.00 C ATOM 950 C PRO A 63 -14.587 1.562 2.783 1.00 0.00 C ATOM 951 O PRO A 63 -15.110 2.517 3.322 1.00 0.00 O ATOM 952 CB PRO A 63 -15.314 0.115 4.763 1.00 0.00 C ATOM 953 CG PRO A 63 -14.134 0.261 5.760 1.00 0.00 C ATOM 954 CD PRO A 63 -13.027 -0.606 5.135 1.00 0.00 C ATOM 0 HA PRO A 63 -15.196 -0.400 2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.040 0.920 4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.851 -0.822 4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.821 1.300 5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.404 -0.090 6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.030 -0.274 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.111 -1.654 5.424 1.00 0.00 H new ATOM 962 N ALA A 64 -13.947 1.638 1.647 1.00 0.00 N ATOM 963 CA ALA A 64 -13.832 2.955 0.937 1.00 0.00 C ATOM 964 C ALA A 64 -14.341 2.895 -0.507 1.00 0.00 C ATOM 965 O ALA A 64 -13.980 3.701 -1.343 1.00 0.00 O ATOM 966 CB ALA A 64 -12.355 3.391 0.960 1.00 0.00 C ATOM 0 H ALA A 64 -13.499 0.851 1.178 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.460 3.679 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.250 4.348 0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.022 3.494 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.746 2.641 0.455 1.00 0.00 H new ATOM 972 N LYS A 65 -15.180 1.939 -0.785 1.00 0.00 N ATOM 973 CA LYS A 65 -15.733 1.790 -2.137 1.00 0.00 C ATOM 974 C LYS A 65 -16.851 2.808 -2.465 1.00 0.00 C ATOM 975 O LYS A 65 -17.981 2.418 -2.716 1.00 0.00 O ATOM 976 CB LYS A 65 -16.221 0.366 -2.200 1.00 0.00 C ATOM 977 CG LYS A 65 -16.317 0.011 -3.656 1.00 0.00 C ATOM 978 CD LYS A 65 -17.049 -1.311 -3.808 1.00 0.00 C ATOM 979 CE LYS A 65 -18.557 -1.066 -3.578 1.00 0.00 C ATOM 980 NZ LYS A 65 -19.341 -2.327 -3.793 1.00 0.00 N ATOM 0 H LYS A 65 -15.506 1.246 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.975 2.000 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -15.533 -0.303 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.190 0.266 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.845 0.795 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.320 -0.061 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.880 -1.725 -4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.670 -2.039 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -18.720 -0.700 -2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -18.912 -0.291 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -20.351 -2.139 -3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -19.201 -2.661 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -19.015 -3.056 -3.127 1.00 0.00 H new ATOM 994 N SER A 66 -16.509 4.066 -2.445 1.00 0.00 N ATOM 995 CA SER A 66 -17.548 5.095 -2.765 1.00 0.00 C ATOM 996 C SER A 66 -17.449 5.232 -4.290 1.00 0.00 C ATOM 997 O SER A 66 -16.488 4.752 -4.869 1.00 0.00 O ATOM 998 CB SER A 66 -17.225 6.452 -2.112 1.00 0.00 C ATOM 999 OG SER A 66 -18.502 7.078 -2.036 1.00 0.00 O ATOM 0 H SER A 66 -15.579 4.425 -2.227 1.00 0.00 H new ATOM 0 HA SER A 66 -18.535 4.807 -2.402 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.775 6.330 -1.127 1.00 0.00 H new ATOM 0 HB3 SER A 66 -16.525 7.033 -2.712 1.00 0.00 H new ATOM 0 HG SER A 66 -18.653 7.613 -2.843 1.00 0.00 H new ATOM 1005 N GLU A 67 -18.432 5.886 -4.847 1.00 0.00 N ATOM 1006 CA GLU A 67 -18.524 6.122 -6.322 1.00 0.00 C ATOM 1007 C GLU A 67 -18.368 4.794 -7.124 1.00 0.00 C ATOM 1008 O GLU A 67 -18.984 3.839 -6.669 1.00 0.00 O ATOM 1009 CB GLU A 67 -17.422 7.173 -6.697 1.00 0.00 C ATOM 1010 CG GLU A 67 -17.358 8.335 -5.646 1.00 0.00 C ATOM 1011 CD GLU A 67 -18.751 8.887 -5.323 1.00 0.00 C ATOM 1012 OE1 GLU A 67 -19.204 9.717 -6.091 1.00 0.00 O ATOM 1013 OE2 GLU A 67 -19.271 8.430 -4.312 1.00 0.00 O ATOM 1014 OXT GLU A 67 -17.669 4.786 -8.128 1.00 0.00 O ATOM 0 H GLU A 67 -19.209 6.284 -4.319 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.508 6.508 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.452 6.680 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.631 7.585 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.890 7.972 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.729 9.138 -6.030 1.00 0.00 H new TER 1021 GLU A 67