USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 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 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.721 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -127:sc= 0.0691 USER MOD Single : A 43 THR OG1 : rot 40:sc= 0.0128 USER MOD Single : A 47 ASN : amide:sc= -0.794 K(o=-0.79,f=0.004) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 62:sc= 0.0945 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 38:sc= 0.174 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0362 K(o=-0.036,f=-3.3!) USER MOD Single : A 89 TYR OH : rot -35:sc= 1.08 USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= 0.725 (180deg=0.672) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 1.435 -2.372 -3.861 1.00 0.00 N ATOM 20 CA ALA A 22 1.041 -3.535 -4.689 1.00 0.00 C ATOM 21 C ALA A 22 1.586 -3.349 -6.125 1.00 0.00 C ATOM 22 O ALA A 22 1.086 -2.503 -6.881 1.00 0.00 O ATOM 23 CB ALA A 22 -0.476 -3.787 -4.661 1.00 0.00 C ATOM 0 HA ALA A 22 1.487 -4.434 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.713 -4.650 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.794 -3.980 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.998 -2.910 -5.043 1.00 0.00 H new ATOM 29 N ALA A 23 2.630 -4.136 -6.465 1.00 0.00 N ATOM 30 CA ALA A 23 3.437 -3.967 -7.695 1.00 0.00 C ATOM 31 C ALA A 23 2.569 -3.933 -8.970 1.00 0.00 C ATOM 32 O ALA A 23 1.626 -4.710 -9.105 1.00 0.00 O ATOM 33 CB ALA A 23 4.500 -5.077 -7.794 1.00 0.00 C ATOM 0 H ALA A 23 2.940 -4.916 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 23 3.934 -2.999 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.086 -4.940 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.159 -5.028 -6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.009 -6.050 -7.822 1.00 0.00 H new ATOM 39 N THR A 24 2.917 -3.014 -9.885 1.00 0.00 N ATOM 40 CA THR A 24 2.190 -2.790 -11.151 1.00 0.00 C ATOM 41 C THR A 24 2.255 -4.046 -12.052 1.00 0.00 C ATOM 42 O THR A 24 3.227 -4.795 -11.989 1.00 0.00 O ATOM 43 CB THR A 24 2.828 -1.561 -11.891 1.00 0.00 C ATOM 44 OG1 THR A 24 2.862 -0.433 -11.000 1.00 0.00 O ATOM 45 CG2 THR A 24 2.077 -1.163 -13.175 1.00 0.00 C ATOM 0 H THR A 24 3.720 -2.397 -9.768 1.00 0.00 H new ATOM 0 HA THR A 24 1.141 -2.589 -10.932 1.00 0.00 H new ATOM 0 HB THR A 24 3.833 -1.861 -12.188 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.262 0.335 -11.459 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.571 -0.308 -13.635 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.078 -2.001 -13.872 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.049 -0.898 -12.928 1.00 0.00 H new ATOM 53 N GLU A 25 1.206 -4.310 -12.851 1.00 0.00 N ATOM 54 CA GLU A 25 1.289 -5.345 -13.898 1.00 0.00 C ATOM 55 C GLU A 25 2.204 -4.815 -15.009 1.00 0.00 C ATOM 56 O GLU A 25 1.954 -3.737 -15.564 1.00 0.00 O ATOM 57 CB GLU A 25 -0.097 -5.716 -14.482 1.00 0.00 C ATOM 58 CG GLU A 25 -0.040 -6.823 -15.565 1.00 0.00 C ATOM 59 CD GLU A 25 -1.392 -7.112 -16.243 1.00 0.00 C ATOM 60 OE1 GLU A 25 -1.755 -6.398 -17.203 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.092 -8.063 -15.835 1.00 0.00 O ATOM 0 H GLU A 25 0.307 -3.832 -12.795 1.00 0.00 H new ATOM 0 HA GLU A 25 1.689 -6.257 -13.456 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.747 -6.046 -13.671 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.552 -4.823 -14.911 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.682 -6.532 -16.328 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.330 -7.742 -15.110 1.00 0.00 H new ATOM 68 N LEU A 26 3.269 -5.556 -15.310 1.00 0.00 N ATOM 69 CA LEU A 26 4.253 -5.146 -16.308 1.00 0.00 C ATOM 70 C LEU A 26 3.744 -5.499 -17.715 1.00 0.00 C ATOM 71 O LEU A 26 3.160 -6.573 -17.925 1.00 0.00 O ATOM 72 CB LEU A 26 5.634 -5.809 -16.040 1.00 0.00 C ATOM 73 CG LEU A 26 6.833 -5.120 -16.759 1.00 0.00 C ATOM 74 CD1 LEU A 26 7.032 -3.668 -16.259 1.00 0.00 C ATOM 75 CD2 LEU A 26 8.125 -5.934 -16.606 1.00 0.00 C ATOM 0 H LEU A 26 3.473 -6.454 -14.871 1.00 0.00 H new ATOM 0 HA LEU A 26 4.388 -4.067 -16.239 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.821 -5.807 -14.966 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.589 -6.852 -16.354 1.00 0.00 H new ATOM 0 HG LEU A 26 6.591 -5.078 -17.821 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.876 -3.216 -16.780 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.130 -3.088 -16.457 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.230 -3.676 -15.187 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.940 -5.424 -17.120 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.369 -6.034 -15.548 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.985 -6.924 -17.041 1.00 0.00 H new ATOM 87 N THR A 27 3.943 -4.575 -18.658 1.00 0.00 N ATOM 88 CA THR A 27 3.550 -4.757 -20.060 1.00 0.00 C ATOM 89 C THR A 27 4.527 -5.733 -20.759 1.00 0.00 C ATOM 90 O THR A 27 5.695 -5.796 -20.358 1.00 0.00 O ATOM 91 CB THR A 27 3.533 -3.373 -20.791 1.00 0.00 C ATOM 92 OG1 THR A 27 4.857 -2.821 -20.821 1.00 0.00 O ATOM 93 CG2 THR A 27 2.576 -2.371 -20.101 1.00 0.00 C ATOM 0 H THR A 27 4.384 -3.674 -18.471 1.00 0.00 H new ATOM 0 HA THR A 27 2.548 -5.183 -20.102 1.00 0.00 H new ATOM 0 HB THR A 27 3.174 -3.541 -21.806 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.840 -1.956 -21.281 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.593 -1.423 -20.638 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.563 -2.773 -20.106 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.898 -2.210 -19.072 1.00 0.00 H new ATOM 101 N PRO A 28 4.088 -6.495 -21.824 1.00 0.00 N ATOM 102 CA PRO A 28 4.976 -7.460 -22.534 1.00 0.00 C ATOM 103 C PRO A 28 6.188 -6.773 -23.204 1.00 0.00 C ATOM 104 O PRO A 28 7.217 -7.410 -23.443 1.00 0.00 O ATOM 105 CB PRO A 28 4.039 -8.115 -23.583 1.00 0.00 C ATOM 106 CG PRO A 28 2.936 -7.119 -23.780 1.00 0.00 C ATOM 107 CD PRO A 28 2.717 -6.497 -22.420 1.00 0.00 C ATOM 0 HA PRO A 28 5.424 -8.182 -21.851 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.566 -8.313 -24.516 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.652 -9.070 -23.227 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.213 -6.366 -24.518 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.029 -7.602 -24.143 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.310 -5.489 -22.499 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.017 -7.077 -21.819 1.00 0.00 H new ATOM 115 N GLU A 29 6.038 -5.460 -23.485 1.00 0.00 N ATOM 116 CA GLU A 29 7.120 -4.594 -23.985 1.00 0.00 C ATOM 117 C GLU A 29 8.290 -4.565 -22.979 1.00 0.00 C ATOM 118 O GLU A 29 9.429 -4.924 -23.307 1.00 0.00 O ATOM 119 CB GLU A 29 6.572 -3.154 -24.204 1.00 0.00 C ATOM 120 CG GLU A 29 7.561 -2.153 -24.845 1.00 0.00 C ATOM 121 CD GLU A 29 7.899 -2.474 -26.312 1.00 0.00 C ATOM 122 OE1 GLU A 29 7.155 -2.041 -27.216 1.00 0.00 O ATOM 123 OE2 GLU A 29 8.898 -3.171 -26.573 1.00 0.00 O ATOM 0 H GLU A 29 5.151 -4.970 -23.369 1.00 0.00 H new ATOM 0 HA GLU A 29 7.486 -4.991 -24.932 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.685 -3.214 -24.834 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.253 -2.756 -23.241 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.137 -1.150 -24.790 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.482 -2.142 -24.263 1.00 0.00 H new ATOM 130 N GLN A 30 7.966 -4.179 -21.729 1.00 0.00 N ATOM 131 CA GLN A 30 8.947 -4.029 -20.641 1.00 0.00 C ATOM 132 C GLN A 30 9.375 -5.405 -20.084 1.00 0.00 C ATOM 133 O GLN A 30 10.454 -5.539 -19.514 1.00 0.00 O ATOM 134 CB GLN A 30 8.353 -3.159 -19.501 1.00 0.00 C ATOM 135 CG GLN A 30 7.797 -1.780 -19.908 1.00 0.00 C ATOM 136 CD GLN A 30 8.818 -0.892 -20.604 1.00 0.00 C ATOM 137 OE1 GLN A 30 8.912 -0.881 -21.830 1.00 0.00 O ATOM 138 NE2 GLN A 30 9.602 -0.152 -19.827 1.00 0.00 N ATOM 0 H GLN A 30 7.010 -3.962 -21.446 1.00 0.00 H new ATOM 0 HA GLN A 30 9.829 -3.535 -21.048 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.552 -3.723 -19.024 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.127 -3.007 -18.749 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.942 -1.923 -20.569 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.430 -1.269 -19.018 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.495 -0.187 -18.813 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.311 0.451 -20.244 1.00 0.00 H new ATOM 147 N ALA A 31 8.501 -6.417 -20.240 1.00 0.00 N ATOM 148 CA ALA A 31 8.758 -7.801 -19.780 1.00 0.00 C ATOM 149 C ALA A 31 9.696 -8.542 -20.747 1.00 0.00 C ATOM 150 O ALA A 31 10.355 -9.504 -20.359 1.00 0.00 O ATOM 151 CB ALA A 31 7.432 -8.558 -19.590 1.00 0.00 C ATOM 0 H ALA A 31 7.593 -6.301 -20.690 1.00 0.00 H new ATOM 0 HA ALA A 31 9.261 -7.754 -18.814 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.638 -9.574 -19.252 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.823 -8.044 -18.846 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.894 -8.593 -20.537 1.00 0.00 H new ATOM 157 N ALA A 32 9.733 -8.083 -22.013 1.00 0.00 N ATOM 158 CA ALA A 32 10.676 -8.593 -23.030 1.00 0.00 C ATOM 159 C ALA A 32 12.032 -7.866 -22.911 1.00 0.00 C ATOM 160 O ALA A 32 13.083 -8.433 -23.246 1.00 0.00 O ATOM 161 CB ALA A 32 10.089 -8.426 -24.445 1.00 0.00 C ATOM 0 H ALA A 32 9.113 -7.351 -22.360 1.00 0.00 H new ATOM 0 HA ALA A 32 10.837 -9.657 -22.854 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.798 -8.807 -25.180 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.155 -8.982 -24.519 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.899 -7.370 -24.638 1.00 0.00 H new ATOM 167 N ALA A 33 11.987 -6.606 -22.431 1.00 0.00 N ATOM 168 CA ALA A 33 13.188 -5.774 -22.217 1.00 0.00 C ATOM 169 C ALA A 33 13.958 -6.235 -20.967 1.00 0.00 C ATOM 170 O ALA A 33 15.137 -6.590 -21.040 1.00 0.00 O ATOM 171 CB ALA A 33 12.793 -4.294 -22.090 1.00 0.00 C ATOM 0 H ALA A 33 11.116 -6.137 -22.181 1.00 0.00 H new ATOM 0 HA ALA A 33 13.844 -5.889 -23.080 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.687 -3.691 -21.932 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.294 -3.971 -23.004 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.117 -4.169 -21.244 1.00 0.00 H new ATOM 177 N LEU A 34 13.268 -6.223 -19.825 1.00 0.00 N ATOM 178 CA LEU A 34 13.821 -6.647 -18.536 1.00 0.00 C ATOM 179 C LEU A 34 13.652 -8.157 -18.360 1.00 0.00 C ATOM 180 O LEU A 34 12.692 -8.755 -18.866 1.00 0.00 O ATOM 181 CB LEU A 34 13.108 -5.911 -17.365 1.00 0.00 C ATOM 182 CG LEU A 34 13.263 -4.359 -17.321 1.00 0.00 C ATOM 183 CD1 LEU A 34 12.469 -3.752 -16.137 1.00 0.00 C ATOM 184 CD2 LEU A 34 14.752 -3.945 -17.273 1.00 0.00 C ATOM 0 H LEU A 34 12.297 -5.915 -19.768 1.00 0.00 H new ATOM 0 HA LEU A 34 14.881 -6.395 -18.522 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.045 -6.146 -17.411 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.484 -6.318 -16.427 1.00 0.00 H new ATOM 0 HG LEU A 34 12.841 -3.957 -18.242 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.595 -2.669 -16.131 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.412 -3.993 -16.246 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.841 -4.166 -15.200 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.827 -2.858 -17.243 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.218 -4.365 -16.382 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.263 -4.319 -18.160 1.00 0.00 H new ATOM 196 N LYS A 35 14.604 -8.761 -17.653 1.00 0.00 N ATOM 197 CA LYS A 35 14.484 -10.124 -17.134 1.00 0.00 C ATOM 198 C LYS A 35 14.232 -10.030 -15.617 1.00 0.00 C ATOM 199 O LYS A 35 14.794 -9.142 -14.959 1.00 0.00 O ATOM 200 CB LYS A 35 15.766 -10.950 -17.433 1.00 0.00 C ATOM 201 CG LYS A 35 16.065 -11.142 -18.937 1.00 0.00 C ATOM 202 CD LYS A 35 17.292 -12.052 -19.189 1.00 0.00 C ATOM 203 CE LYS A 35 17.080 -13.483 -18.668 1.00 0.00 C ATOM 204 NZ LYS A 35 18.290 -14.330 -18.814 1.00 0.00 N ATOM 0 H LYS A 35 15.491 -8.314 -17.421 1.00 0.00 H new ATOM 0 HA LYS A 35 13.656 -10.638 -17.622 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.618 -10.457 -16.966 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.669 -11.930 -16.966 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.191 -11.573 -19.425 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.239 -10.169 -19.396 1.00 0.00 H new ATOM 0 HD2 LYS A 35 17.502 -12.085 -20.258 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.167 -11.619 -18.705 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.793 -13.444 -17.617 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.252 -13.943 -19.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.093 -15.283 -18.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.551 -14.392 -19.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.075 -13.909 -18.278 1.00 0.00 H new ATOM 218 N PRO A 36 13.388 -10.923 -15.027 1.00 0.00 N ATOM 219 CA PRO A 36 13.067 -10.862 -13.589 1.00 0.00 C ATOM 220 C PRO A 36 14.244 -11.327 -12.703 1.00 0.00 C ATOM 221 O PRO A 36 15.002 -12.235 -13.080 1.00 0.00 O ATOM 222 CB PRO A 36 11.854 -11.800 -13.471 1.00 0.00 C ATOM 223 CG PRO A 36 12.044 -12.804 -14.566 1.00 0.00 C ATOM 224 CD PRO A 36 12.681 -12.046 -15.705 1.00 0.00 C ATOM 0 HA PRO A 36 12.864 -9.848 -13.243 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.819 -12.281 -12.494 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.918 -11.255 -13.591 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.680 -13.626 -14.238 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.091 -13.239 -14.869 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.372 -12.674 -16.267 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.935 -11.682 -16.411 1.00 0.00 H new ATOM 232 N TYR A 37 14.396 -10.676 -11.535 1.00 0.00 N ATOM 233 CA TYR A 37 15.433 -11.041 -10.543 1.00 0.00 C ATOM 234 C TYR A 37 15.020 -12.303 -9.756 1.00 0.00 C ATOM 235 O TYR A 37 15.862 -12.988 -9.160 1.00 0.00 O ATOM 236 CB TYR A 37 15.726 -9.851 -9.575 1.00 0.00 C ATOM 237 CG TYR A 37 14.555 -9.425 -8.658 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.571 -8.542 -9.102 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.445 -9.902 -7.342 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.530 -8.149 -8.277 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.402 -9.513 -6.520 1.00 0.00 C ATOM 242 CZ TYR A 37 12.452 -8.638 -6.990 1.00 0.00 C ATOM 243 OH TYR A 37 11.417 -8.245 -6.171 1.00 0.00 O ATOM 0 H TYR A 37 13.812 -9.890 -11.251 1.00 0.00 H new ATOM 0 HA TYR A 37 16.352 -11.266 -11.084 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.576 -10.119 -8.947 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.029 -8.989 -10.170 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.622 -8.157 -10.110 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.190 -10.587 -6.964 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.781 -7.461 -8.641 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.335 -9.896 -5.512 1.00 0.00 H new ATOM 0 HH TYR A 37 11.779 -7.905 -5.326 1.00 0.00 H new ATOM 253 N ASP A 38 13.707 -12.576 -9.770 1.00 0.00 N ATOM 254 CA ASP A 38 13.084 -13.699 -9.062 1.00 0.00 C ATOM 255 C ASP A 38 11.718 -13.994 -9.703 1.00 0.00 C ATOM 256 O ASP A 38 11.185 -13.164 -10.442 1.00 0.00 O ATOM 257 CB ASP A 38 12.937 -13.352 -7.549 1.00 0.00 C ATOM 258 CG ASP A 38 12.259 -14.455 -6.722 1.00 0.00 C ATOM 259 OD1 ASP A 38 12.842 -15.552 -6.609 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.134 -14.251 -6.221 1.00 0.00 O ATOM 0 H ASP A 38 13.035 -12.008 -10.286 1.00 0.00 H new ATOM 0 HA ASP A 38 13.708 -14.589 -9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.925 -13.155 -7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.361 -12.432 -7.451 1.00 0.00 H new ATOM 265 N ARG A 39 11.181 -15.188 -9.447 1.00 0.00 N ATOM 266 CA ARG A 39 9.824 -15.571 -9.848 1.00 0.00 C ATOM 267 C ARG A 39 9.119 -16.222 -8.655 1.00 0.00 C ATOM 268 O ARG A 39 9.585 -17.231 -8.121 1.00 0.00 O ATOM 269 CB ARG A 39 9.874 -16.518 -11.081 1.00 0.00 C ATOM 270 CG ARG A 39 8.507 -17.095 -11.511 1.00 0.00 C ATOM 271 CD ARG A 39 8.568 -17.840 -12.857 1.00 0.00 C ATOM 272 NE ARG A 39 8.670 -16.911 -14.007 1.00 0.00 N ATOM 273 CZ ARG A 39 9.547 -16.997 -15.020 1.00 0.00 C ATOM 274 NH1 ARG A 39 10.500 -17.918 -15.027 1.00 0.00 N ATOM 275 NH2 ARG A 39 9.465 -16.140 -16.028 1.00 0.00 N ATOM 0 H ARG A 39 11.681 -15.925 -8.950 1.00 0.00 H new ATOM 0 HA ARG A 39 9.256 -14.689 -10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.304 -15.974 -11.922 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.548 -17.345 -10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.147 -17.777 -10.740 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.782 -16.284 -11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.425 -18.513 -12.859 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.677 -18.458 -12.969 1.00 0.00 H new ATOM 0 HE ARG A 39 8.012 -16.132 -14.031 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.577 -18.578 -14.253 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.156 -17.967 -15.806 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.740 -15.423 -16.030 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.127 -16.198 -16.802 1.00 0.00 H new ATOM 289 N ILE A 40 7.989 -15.620 -8.245 1.00 0.00 N ATOM 290 CA ILE A 40 7.193 -16.074 -7.090 1.00 0.00 C ATOM 291 C ILE A 40 6.090 -17.064 -7.519 1.00 0.00 C ATOM 292 O ILE A 40 5.733 -17.158 -8.703 1.00 0.00 O ATOM 293 CB ILE A 40 6.574 -14.849 -6.316 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.579 -14.041 -7.213 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.696 -13.930 -5.771 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.942 -12.826 -6.550 1.00 0.00 C ATOM 0 H ILE A 40 7.599 -14.799 -8.709 1.00 0.00 H new ATOM 0 HA ILE A 40 7.866 -16.600 -6.414 1.00 0.00 H new ATOM 0 HB ILE A 40 6.005 -15.242 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.108 -13.711 -8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.786 -14.712 -7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.251 -13.089 -5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.331 -14.496 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.297 -13.558 -6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.270 -12.337 -7.255 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.378 -13.144 -5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.721 -12.127 -6.247 1.00 0.00 H new ATOM 308 N VAL A 41 5.550 -17.775 -6.525 1.00 0.00 N ATOM 309 CA VAL A 41 4.587 -18.876 -6.709 1.00 0.00 C ATOM 310 C VAL A 41 3.519 -18.849 -5.593 1.00 0.00 C ATOM 311 O VAL A 41 3.860 -18.742 -4.410 1.00 0.00 O ATOM 312 CB VAL A 41 5.342 -20.266 -6.730 1.00 0.00 C ATOM 313 CG1 VAL A 41 6.366 -20.378 -5.567 1.00 0.00 C ATOM 314 CG2 VAL A 41 4.359 -21.464 -6.718 1.00 0.00 C ATOM 0 H VAL A 41 5.773 -17.601 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 41 4.083 -18.745 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 41 5.894 -20.307 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.865 -21.346 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.106 -19.583 -5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.846 -20.284 -4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.922 -22.397 -6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.748 -21.424 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.715 -21.415 -7.596 1.00 0.00 H new ATOM 324 N ILE A 42 2.230 -18.922 -5.994 1.00 0.00 N ATOM 325 CA ILE A 42 1.070 -19.056 -5.083 1.00 0.00 C ATOM 326 C ILE A 42 -0.005 -19.944 -5.758 1.00 0.00 C ATOM 327 O ILE A 42 0.140 -20.345 -6.924 1.00 0.00 O ATOM 328 CB ILE A 42 0.417 -17.661 -4.672 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.015 -16.857 -5.935 1.00 0.00 C ATOM 330 CG2 ILE A 42 1.352 -16.818 -3.760 1.00 0.00 C ATOM 331 CD1 ILE A 42 -0.795 -15.583 -5.663 1.00 0.00 C ATOM 0 H ILE A 42 1.961 -18.889 -6.977 1.00 0.00 H new ATOM 0 HA ILE A 42 1.441 -19.510 -4.164 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.475 -17.884 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.878 -16.601 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.621 -17.506 -6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.863 -15.877 -3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.566 -17.373 -2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.284 -16.612 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.046 -15.101 -6.608 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.711 -15.825 -5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.188 -14.907 -5.061 1.00 0.00 H new ATOM 343 N THR A 43 -1.067 -20.254 -5.004 1.00 0.00 N ATOM 344 CA THR A 43 -2.244 -20.991 -5.490 1.00 0.00 C ATOM 345 C THR A 43 -3.509 -20.312 -4.953 1.00 0.00 C ATOM 346 O THR A 43 -3.646 -20.118 -3.738 1.00 0.00 O ATOM 347 CB THR A 43 -2.221 -22.491 -5.037 1.00 0.00 C ATOM 348 OG1 THR A 43 -1.787 -22.576 -3.670 1.00 0.00 O ATOM 349 CG2 THR A 43 -1.327 -23.369 -5.929 1.00 0.00 C ATOM 0 H THR A 43 -1.135 -19.995 -4.020 1.00 0.00 H new ATOM 0 HA THR A 43 -2.232 -20.976 -6.580 1.00 0.00 H new ATOM 0 HB THR A 43 -3.237 -22.874 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.190 -21.848 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.350 -24.397 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.693 -23.337 -6.955 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.303 -22.996 -5.897 1.00 0.00 H new ATOM 357 N GLY A 44 -4.413 -19.946 -5.871 1.00 0.00 N ATOM 358 CA GLY A 44 -5.704 -19.371 -5.513 1.00 0.00 C ATOM 359 C GLY A 44 -6.773 -20.445 -5.388 1.00 0.00 C ATOM 360 O GLY A 44 -7.645 -20.557 -6.249 1.00 0.00 O ATOM 0 H GLY A 44 -4.266 -20.042 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.615 -18.832 -4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.003 -18.644 -6.268 1.00 0.00 H new ATOM 364 N ARG A 45 -6.704 -21.233 -4.295 1.00 0.00 N ATOM 365 CA ARG A 45 -7.626 -22.364 -4.063 1.00 0.00 C ATOM 366 C ARG A 45 -9.053 -21.864 -3.789 1.00 0.00 C ATOM 367 O ARG A 45 -9.371 -21.445 -2.668 1.00 0.00 O ATOM 368 CB ARG A 45 -7.130 -23.278 -2.908 1.00 0.00 C ATOM 369 CG ARG A 45 -7.936 -24.589 -2.746 1.00 0.00 C ATOM 370 CD ARG A 45 -7.404 -25.506 -1.637 1.00 0.00 C ATOM 371 NE ARG A 45 -8.159 -26.775 -1.584 1.00 0.00 N ATOM 372 CZ ARG A 45 -8.292 -27.557 -0.509 1.00 0.00 C ATOM 373 NH1 ARG A 45 -7.737 -27.233 0.652 1.00 0.00 N ATOM 374 NH2 ARG A 45 -8.999 -28.669 -0.609 1.00 0.00 N ATOM 0 H ARG A 45 -6.014 -21.105 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.643 -22.963 -4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.083 -23.527 -3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.174 -22.719 -1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.976 -24.342 -2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.924 -25.132 -3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.348 -25.715 -1.810 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.475 -24.997 -0.676 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.618 -27.080 -2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.196 -26.372 0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.851 -27.845 1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.433 -28.919 -1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.110 -29.277 0.202 1.00 0.00 H new ATOM 388 N PHE A 46 -9.860 -21.855 -4.869 1.00 0.00 N ATOM 389 CA PHE A 46 -11.251 -21.365 -4.885 1.00 0.00 C ATOM 390 C PHE A 46 -11.309 -19.841 -4.614 1.00 0.00 C ATOM 391 O PHE A 46 -12.355 -19.290 -4.265 1.00 0.00 O ATOM 392 CB PHE A 46 -12.142 -22.198 -3.904 1.00 0.00 C ATOM 393 CG PHE A 46 -13.644 -22.067 -4.163 1.00 0.00 C ATOM 394 CD1 PHE A 46 -14.188 -22.440 -5.397 1.00 0.00 C ATOM 395 CD2 PHE A 46 -14.512 -21.571 -3.189 1.00 0.00 C ATOM 396 CE1 PHE A 46 -15.542 -22.315 -5.643 1.00 0.00 C ATOM 397 CE2 PHE A 46 -15.868 -21.447 -3.442 1.00 0.00 C ATOM 398 CZ PHE A 46 -16.382 -21.824 -4.666 1.00 0.00 C ATOM 0 H PHE A 46 -9.552 -22.198 -5.779 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.664 -21.512 -5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.861 -23.249 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.931 -21.883 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -13.541 -22.831 -6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.121 -21.280 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.944 -22.603 -6.603 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.525 -21.054 -2.680 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.441 -21.735 -4.858 1.00 0.00 H new ATOM 408 N ASN A 47 -10.168 -19.162 -4.822 1.00 0.00 N ATOM 409 CA ASN A 47 -10.047 -17.700 -4.667 1.00 0.00 C ATOM 410 C ASN A 47 -10.326 -17.004 -6.005 1.00 0.00 C ATOM 411 O ASN A 47 -10.078 -17.572 -7.082 1.00 0.00 O ATOM 412 CB ASN A 47 -8.644 -17.315 -4.131 1.00 0.00 C ATOM 413 CG ASN A 47 -8.426 -17.700 -2.658 1.00 0.00 C ATOM 414 OD1 ASN A 47 -8.690 -16.913 -1.748 1.00 0.00 O ATOM 415 ND2 ASN A 47 -7.953 -18.912 -2.414 1.00 0.00 N ATOM 0 H ASN A 47 -9.298 -19.614 -5.104 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.786 -17.367 -3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.884 -17.801 -4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.503 -16.240 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.798 -19.215 -1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.743 -19.543 -3.188 1.00 0.00 H new ATOM 422 N ALA A 48 -10.844 -15.772 -5.917 1.00 0.00 N ATOM 423 CA ALA A 48 -11.261 -14.980 -7.083 1.00 0.00 C ATOM 424 C ALA A 48 -10.073 -14.580 -7.974 1.00 0.00 C ATOM 425 O ALA A 48 -8.915 -14.609 -7.534 1.00 0.00 O ATOM 426 CB ALA A 48 -12.038 -13.741 -6.604 1.00 0.00 C ATOM 0 H ALA A 48 -10.987 -15.293 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.910 -15.600 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.349 -13.151 -7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.918 -14.057 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.398 -13.136 -5.962 1.00 0.00 H new ATOM 432 N ILE A 49 -10.382 -14.212 -9.235 1.00 0.00 N ATOM 433 CA ILE A 49 -9.374 -13.713 -10.193 1.00 0.00 C ATOM 434 C ILE A 49 -8.700 -12.445 -9.621 1.00 0.00 C ATOM 435 O ILE A 49 -7.470 -12.373 -9.556 1.00 0.00 O ATOM 436 CB ILE A 49 -9.995 -13.456 -11.631 1.00 0.00 C ATOM 437 CG1 ILE A 49 -8.942 -12.875 -12.639 1.00 0.00 C ATOM 438 CG2 ILE A 49 -11.255 -12.555 -11.565 1.00 0.00 C ATOM 439 CD1 ILE A 49 -7.765 -13.781 -12.963 1.00 0.00 C ATOM 0 H ILE A 49 -11.328 -14.252 -9.615 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.613 -14.482 -10.327 1.00 0.00 H new ATOM 0 HB ILE A 49 -10.303 -14.431 -12.009 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.454 -12.630 -13.569 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.555 -11.940 -12.233 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.648 -12.405 -12.571 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.014 -13.035 -10.947 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.990 -11.591 -11.131 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.102 -13.279 -13.668 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.217 -14.007 -12.048 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.130 -14.708 -13.406 1.00 0.00 H new ATOM 451 N GLY A 50 -9.527 -11.512 -9.109 1.00 0.00 N ATOM 452 CA GLY A 50 -9.032 -10.274 -8.495 1.00 0.00 C ATOM 453 C GLY A 50 -8.345 -10.490 -7.146 1.00 0.00 C ATOM 454 O GLY A 50 -7.447 -9.730 -6.777 1.00 0.00 O ATOM 0 H GLY A 50 -10.543 -11.597 -9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.330 -9.795 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.867 -9.586 -8.362 1.00 0.00 H new ATOM 458 N ASP A 51 -8.769 -11.539 -6.418 1.00 0.00 N ATOM 459 CA ASP A 51 -8.189 -11.911 -5.107 1.00 0.00 C ATOM 460 C ASP A 51 -6.745 -12.421 -5.276 1.00 0.00 C ATOM 461 O ASP A 51 -5.829 -11.982 -4.571 1.00 0.00 O ATOM 462 CB ASP A 51 -9.065 -12.992 -4.422 1.00 0.00 C ATOM 463 CG ASP A 51 -8.564 -13.392 -3.017 1.00 0.00 C ATOM 464 OD1 ASP A 51 -7.701 -14.290 -2.905 1.00 0.00 O ATOM 465 OD2 ASP A 51 -9.032 -12.806 -2.018 1.00 0.00 O ATOM 0 H ASP A 51 -9.524 -12.155 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.167 -11.023 -4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.088 -12.623 -4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.094 -13.879 -5.055 1.00 0.00 H new ATOM 470 N ALA A 52 -6.557 -13.346 -6.234 1.00 0.00 N ATOM 471 CA ALA A 52 -5.246 -13.957 -6.518 1.00 0.00 C ATOM 472 C ALA A 52 -4.279 -12.939 -7.157 1.00 0.00 C ATOM 473 O ALA A 52 -3.061 -13.007 -6.937 1.00 0.00 O ATOM 474 CB ALA A 52 -5.415 -15.186 -7.417 1.00 0.00 C ATOM 0 H ALA A 52 -7.308 -13.691 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.809 -14.276 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.439 -15.627 -7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.048 -15.919 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.879 -14.888 -8.357 1.00 0.00 H new ATOM 480 N VAL A 53 -4.836 -11.999 -7.950 1.00 0.00 N ATOM 481 CA VAL A 53 -4.070 -10.864 -8.508 1.00 0.00 C ATOM 482 C VAL A 53 -3.639 -9.897 -7.388 1.00 0.00 C ATOM 483 O VAL A 53 -2.517 -9.396 -7.404 1.00 0.00 O ATOM 484 CB VAL A 53 -4.860 -10.109 -9.651 1.00 0.00 C ATOM 485 CG1 VAL A 53 -4.214 -8.743 -10.024 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.971 -11.013 -10.905 1.00 0.00 C ATOM 0 H VAL A 53 -5.820 -12.004 -8.219 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.173 -11.274 -8.972 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.856 -9.893 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.797 -8.268 -10.813 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.197 -8.097 -9.146 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.195 -8.906 -10.374 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.517 -10.485 -11.687 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.972 -11.262 -11.264 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.502 -11.929 -10.647 1.00 0.00 H new ATOM 496 N SER A 54 -4.519 -9.683 -6.396 1.00 0.00 N ATOM 497 CA SER A 54 -4.206 -8.850 -5.213 1.00 0.00 C ATOM 498 C SER A 54 -3.102 -9.511 -4.365 1.00 0.00 C ATOM 499 O SER A 54 -2.241 -8.825 -3.804 1.00 0.00 O ATOM 500 CB SER A 54 -5.478 -8.641 -4.364 1.00 0.00 C ATOM 501 OG SER A 54 -5.244 -7.804 -3.240 1.00 0.00 O ATOM 0 H SER A 54 -5.460 -10.076 -6.386 1.00 0.00 H new ATOM 0 HA SER A 54 -3.844 -7.880 -5.554 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.259 -8.202 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.848 -9.608 -4.023 1.00 0.00 H new ATOM 0 HG SER A 54 -6.076 -7.698 -2.732 1.00 0.00 H new ATOM 507 N ALA A 55 -3.136 -10.856 -4.308 1.00 0.00 N ATOM 508 CA ALA A 55 -2.175 -11.662 -3.537 1.00 0.00 C ATOM 509 C ALA A 55 -0.763 -11.598 -4.152 1.00 0.00 C ATOM 510 O ALA A 55 0.224 -11.340 -3.452 1.00 0.00 O ATOM 511 CB ALA A 55 -2.664 -13.114 -3.457 1.00 0.00 C ATOM 0 H ALA A 55 -3.835 -11.415 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.111 -11.249 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.950 -13.707 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.636 -13.144 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.753 -13.524 -4.463 1.00 0.00 H new ATOM 517 N VAL A 56 -0.690 -11.809 -5.479 1.00 0.00 N ATOM 518 CA VAL A 56 0.592 -11.864 -6.216 1.00 0.00 C ATOM 519 C VAL A 56 1.204 -10.451 -6.386 1.00 0.00 C ATOM 520 O VAL A 56 2.432 -10.292 -6.386 1.00 0.00 O ATOM 521 CB VAL A 56 0.408 -12.575 -7.613 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.481 -11.752 -8.562 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.763 -12.911 -8.271 1.00 0.00 C ATOM 0 H VAL A 56 -1.510 -11.946 -6.070 1.00 0.00 H new ATOM 0 HA VAL A 56 1.291 -12.457 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.104 -13.518 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.582 -12.277 -9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.466 -11.619 -8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.026 -10.777 -8.733 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.591 -13.399 -9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.329 -11.993 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.328 -13.579 -7.620 1.00 0.00 H new ATOM 533 N SER A 57 0.325 -9.430 -6.493 1.00 0.00 N ATOM 534 CA SER A 57 0.726 -8.012 -6.614 1.00 0.00 C ATOM 535 C SER A 57 1.323 -7.512 -5.288 1.00 0.00 C ATOM 536 O SER A 57 2.355 -6.826 -5.275 1.00 0.00 O ATOM 537 CB SER A 57 -0.501 -7.156 -7.009 1.00 0.00 C ATOM 538 OG SER A 57 -0.173 -5.795 -7.206 1.00 0.00 O ATOM 0 H SER A 57 -0.686 -9.568 -6.498 1.00 0.00 H new ATOM 0 HA SER A 57 1.487 -7.921 -7.389 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.940 -7.556 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.260 -7.234 -6.230 1.00 0.00 H new ATOM 0 HG SER A 57 0.467 -5.716 -7.944 1.00 0.00 H new ATOM 544 N ARG A 58 0.662 -7.889 -4.171 1.00 0.00 N ATOM 545 CA ARG A 58 1.137 -7.591 -2.807 1.00 0.00 C ATOM 546 C ARG A 58 2.502 -8.259 -2.554 1.00 0.00 C ATOM 547 O ARG A 58 3.444 -7.598 -2.121 1.00 0.00 O ATOM 548 CB ARG A 58 0.120 -8.084 -1.738 1.00 0.00 C ATOM 549 CG ARG A 58 0.626 -7.932 -0.287 1.00 0.00 C ATOM 550 CD ARG A 58 -0.228 -8.671 0.756 1.00 0.00 C ATOM 551 NE ARG A 58 0.512 -8.840 2.016 1.00 0.00 N ATOM 552 CZ ARG A 58 0.173 -9.666 3.007 1.00 0.00 C ATOM 553 NH1 ARG A 58 -0.987 -10.315 2.991 1.00 0.00 N ATOM 554 NH2 ARG A 58 0.999 -9.816 4.026 1.00 0.00 N ATOM 0 H ARG A 58 -0.216 -8.408 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 58 1.239 -6.509 -2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.810 -7.527 -1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.112 -9.133 -1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.650 -8.301 -0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.655 -6.872 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.146 -8.114 0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.520 -9.647 0.367 1.00 0.00 H new ATOM 0 HE ARG A 58 1.354 -8.279 2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.633 -10.185 2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.231 -10.943 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.881 -9.304 4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.755 -10.444 4.792 1.00 0.00 H new ATOM 568 N ARG A 59 2.580 -9.568 -2.884 1.00 0.00 N ATOM 569 CA ARG A 59 3.776 -10.414 -2.646 1.00 0.00 C ATOM 570 C ARG A 59 4.996 -9.807 -3.374 1.00 0.00 C ATOM 571 O ARG A 59 6.073 -9.671 -2.783 1.00 0.00 O ATOM 572 CB ARG A 59 3.499 -11.888 -3.119 1.00 0.00 C ATOM 573 CG ARG A 59 4.371 -13.007 -2.468 1.00 0.00 C ATOM 574 CD ARG A 59 5.853 -12.960 -2.856 1.00 0.00 C ATOM 575 NE ARG A 59 6.667 -13.914 -2.081 1.00 0.00 N ATOM 576 CZ ARG A 59 7.258 -13.631 -0.913 1.00 0.00 C ATOM 577 NH1 ARG A 59 7.016 -12.468 -0.301 1.00 0.00 N ATOM 578 NH2 ARG A 59 8.044 -14.534 -0.340 1.00 0.00 N ATOM 0 H ARG A 59 1.811 -10.072 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 59 3.996 -10.443 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.451 -12.117 -2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.640 -11.931 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.289 -12.930 -1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.965 -13.978 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.955 -13.179 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.235 -11.951 -2.701 1.00 0.00 H new ATOM 0 HE ARG A 59 6.788 -14.853 -2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.379 -11.792 -0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.468 -12.256 0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.195 -15.437 -0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.497 -14.325 0.550 1.00 0.00 H new ATOM 592 N ALA A 60 4.779 -9.421 -4.646 1.00 0.00 N ATOM 593 CA ALA A 60 5.797 -8.766 -5.487 1.00 0.00 C ATOM 594 C ALA A 60 6.312 -7.468 -4.826 1.00 0.00 C ATOM 595 O ALA A 60 7.522 -7.247 -4.713 1.00 0.00 O ATOM 596 CB ALA A 60 5.196 -8.470 -6.868 1.00 0.00 C ATOM 0 H ALA A 60 3.887 -9.556 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 60 6.649 -9.436 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.945 -7.985 -7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.881 -9.403 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.335 -7.811 -6.756 1.00 0.00 H new ATOM 602 N ASP A 61 5.363 -6.656 -4.341 1.00 0.00 N ATOM 603 CA ASP A 61 5.649 -5.361 -3.682 1.00 0.00 C ATOM 604 C ASP A 61 6.427 -5.554 -2.359 1.00 0.00 C ATOM 605 O ASP A 61 7.292 -4.740 -2.018 1.00 0.00 O ATOM 606 CB ASP A 61 4.316 -4.617 -3.425 1.00 0.00 C ATOM 607 CG ASP A 61 4.464 -3.253 -2.711 1.00 0.00 C ATOM 608 OD1 ASP A 61 4.895 -2.277 -3.347 1.00 0.00 O ATOM 609 OD2 ASP A 61 4.114 -3.145 -1.513 1.00 0.00 O ATOM 0 H ASP A 61 4.368 -6.874 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 61 6.281 -4.767 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.814 -4.459 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.668 -5.257 -2.826 1.00 0.00 H new ATOM 614 N GLU A 62 6.127 -6.654 -1.636 1.00 0.00 N ATOM 615 CA GLU A 62 6.819 -6.998 -0.372 1.00 0.00 C ATOM 616 C GLU A 62 8.266 -7.444 -0.642 1.00 0.00 C ATOM 617 O GLU A 62 9.115 -7.372 0.244 1.00 0.00 O ATOM 618 CB GLU A 62 6.061 -8.109 0.410 1.00 0.00 C ATOM 619 CG GLU A 62 4.635 -7.724 0.849 1.00 0.00 C ATOM 620 CD GLU A 62 3.974 -8.753 1.787 1.00 0.00 C ATOM 621 OE1 GLU A 62 3.955 -9.953 1.448 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.476 -8.366 2.877 1.00 0.00 O ATOM 0 H GLU A 62 5.406 -7.323 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 62 6.835 -6.097 0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.007 -9.002 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.641 -8.373 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.668 -6.757 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.013 -7.602 -0.037 1.00 0.00 H new ATOM 629 N GLU A 63 8.532 -7.912 -1.870 1.00 0.00 N ATOM 630 CA GLU A 63 9.887 -8.285 -2.321 1.00 0.00 C ATOM 631 C GLU A 63 10.622 -7.091 -2.950 1.00 0.00 C ATOM 632 O GLU A 63 11.772 -7.224 -3.388 1.00 0.00 O ATOM 633 CB GLU A 63 9.804 -9.493 -3.295 1.00 0.00 C ATOM 634 CG GLU A 63 9.195 -10.759 -2.649 1.00 0.00 C ATOM 635 CD GLU A 63 9.931 -11.203 -1.365 1.00 0.00 C ATOM 636 OE1 GLU A 63 10.993 -11.847 -1.473 1.00 0.00 O ATOM 637 OE2 GLU A 63 9.461 -10.896 -0.240 1.00 0.00 O ATOM 0 H GLU A 63 7.814 -8.044 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 63 10.473 -8.585 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.205 -9.212 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.804 -9.725 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.148 -10.570 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.217 -11.574 -3.372 1.00 0.00 H new ATOM 644 N GLY A 64 9.965 -5.918 -2.954 1.00 0.00 N ATOM 645 CA GLY A 64 10.558 -4.681 -3.461 1.00 0.00 C ATOM 646 C GLY A 64 10.580 -4.602 -4.981 1.00 0.00 C ATOM 647 O GLY A 64 11.420 -3.898 -5.560 1.00 0.00 O ATOM 0 H GLY A 64 9.013 -5.807 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.000 -3.831 -3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.577 -4.594 -3.085 1.00 0.00 H new ATOM 651 N ALA A 65 9.667 -5.346 -5.623 1.00 0.00 N ATOM 652 CA ALA A 65 9.476 -5.312 -7.078 1.00 0.00 C ATOM 653 C ALA A 65 8.609 -4.112 -7.469 1.00 0.00 C ATOM 654 O ALA A 65 7.585 -3.850 -6.827 1.00 0.00 O ATOM 655 CB ALA A 65 8.841 -6.625 -7.582 1.00 0.00 C ATOM 0 H ALA A 65 9.038 -5.991 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 65 10.453 -5.208 -7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.710 -6.574 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.493 -7.463 -7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.871 -6.767 -7.105 1.00 0.00 H new ATOM 661 N ALA A 66 9.041 -3.386 -8.505 1.00 0.00 N ATOM 662 CA ALA A 66 8.271 -2.272 -9.089 1.00 0.00 C ATOM 663 C ALA A 66 7.033 -2.809 -9.816 1.00 0.00 C ATOM 664 O ALA A 66 5.958 -2.194 -9.806 1.00 0.00 O ATOM 665 CB ALA A 66 9.151 -1.477 -10.069 1.00 0.00 C ATOM 0 H ALA A 66 9.936 -3.551 -8.966 1.00 0.00 H new ATOM 0 HA ALA A 66 7.949 -1.610 -8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.573 -0.657 -10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.015 -1.075 -9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.490 -2.135 -10.869 1.00 0.00 H new ATOM 671 N SER A 67 7.216 -3.977 -10.449 1.00 0.00 N ATOM 672 CA SER A 67 6.205 -4.618 -11.283 1.00 0.00 C ATOM 673 C SER A 67 6.344 -6.149 -11.230 1.00 0.00 C ATOM 674 O SER A 67 7.313 -6.677 -10.684 1.00 0.00 O ATOM 675 CB SER A 67 6.322 -4.102 -12.741 1.00 0.00 C ATOM 676 OG SER A 67 6.125 -2.691 -12.820 1.00 0.00 O ATOM 0 H SER A 67 8.086 -4.506 -10.391 1.00 0.00 H new ATOM 0 HA SER A 67 5.218 -4.361 -10.899 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.305 -4.355 -13.138 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.586 -4.608 -13.366 1.00 0.00 H new ATOM 0 HG SER A 67 6.207 -2.401 -13.752 1.00 0.00 H new ATOM 682 N PHE A 68 5.339 -6.836 -11.783 1.00 0.00 N ATOM 683 CA PHE A 68 5.328 -8.296 -11.939 1.00 0.00 C ATOM 684 C PHE A 68 4.603 -8.642 -13.252 1.00 0.00 C ATOM 685 O PHE A 68 3.697 -7.915 -13.673 1.00 0.00 O ATOM 686 CB PHE A 68 4.622 -8.989 -10.721 1.00 0.00 C ATOM 687 CG PHE A 68 3.088 -8.878 -10.711 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.450 -7.697 -10.327 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.287 -9.945 -11.136 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.070 -7.593 -10.360 1.00 0.00 C ATOM 691 CE2 PHE A 68 0.909 -9.832 -11.175 1.00 0.00 C ATOM 692 CZ PHE A 68 0.300 -8.659 -10.786 1.00 0.00 C ATOM 0 H PHE A 68 4.496 -6.387 -12.141 1.00 0.00 H new ATOM 0 HA PHE A 68 6.353 -8.664 -11.972 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.895 -10.044 -10.714 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.009 -8.553 -9.800 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.041 -6.854 -10.000 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.753 -10.871 -11.438 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.593 -6.675 -10.051 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.309 -10.665 -11.511 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.776 -8.573 -10.814 1.00 0.00 H new ATOM 702 N TYR A 69 4.991 -9.747 -13.878 1.00 0.00 N ATOM 703 CA TYR A 69 4.325 -10.294 -15.062 1.00 0.00 C ATOM 704 C TYR A 69 4.024 -11.774 -14.795 1.00 0.00 C ATOM 705 O TYR A 69 4.894 -12.501 -14.336 1.00 0.00 O ATOM 706 CB TYR A 69 5.236 -10.108 -16.307 1.00 0.00 C ATOM 707 CG TYR A 69 4.628 -10.606 -17.623 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.676 -9.846 -18.308 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.994 -11.839 -18.172 1.00 0.00 C ATOM 710 CE1 TYR A 69 3.112 -10.295 -19.487 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.434 -12.289 -19.355 1.00 0.00 C ATOM 712 CZ TYR A 69 3.493 -11.518 -20.003 1.00 0.00 C ATOM 713 OH TYR A 69 2.924 -11.980 -21.170 1.00 0.00 O ATOM 0 H TYR A 69 5.792 -10.301 -13.574 1.00 0.00 H new ATOM 0 HA TYR A 69 3.390 -9.772 -15.263 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.476 -9.050 -16.410 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.176 -10.633 -16.135 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.375 -8.889 -17.908 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.726 -12.450 -17.665 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.378 -9.693 -20.002 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.733 -13.241 -19.769 1.00 0.00 H new ATOM 0 HH TYR A 69 3.304 -12.855 -21.395 1.00 0.00 H new ATOM 723 N VAL A 70 2.781 -12.208 -15.055 1.00 0.00 N ATOM 724 CA VAL A 70 2.367 -13.607 -14.839 1.00 0.00 C ATOM 725 C VAL A 70 2.883 -14.481 -15.996 1.00 0.00 C ATOM 726 O VAL A 70 2.588 -14.200 -17.165 1.00 0.00 O ATOM 727 CB VAL A 70 0.802 -13.743 -14.701 1.00 0.00 C ATOM 728 CG1 VAL A 70 0.380 -15.209 -14.413 1.00 0.00 C ATOM 729 CG2 VAL A 70 0.249 -12.776 -13.619 1.00 0.00 C ATOM 0 H VAL A 70 2.040 -11.608 -15.417 1.00 0.00 H new ATOM 0 HA VAL A 70 2.803 -13.948 -13.900 1.00 0.00 H new ATOM 0 HB VAL A 70 0.363 -13.460 -15.658 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.705 -15.265 -14.324 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.710 -15.850 -15.230 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.838 -15.543 -13.482 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.832 -12.892 -13.546 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.705 -13.008 -12.656 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.486 -11.748 -13.894 1.00 0.00 H new ATOM 739 N VAL A 71 3.658 -15.535 -15.666 1.00 0.00 N ATOM 740 CA VAL A 71 4.246 -16.439 -16.674 1.00 0.00 C ATOM 741 C VAL A 71 3.255 -17.557 -17.023 1.00 0.00 C ATOM 742 O VAL A 71 3.183 -17.994 -18.181 1.00 0.00 O ATOM 743 CB VAL A 71 5.620 -17.047 -16.179 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.472 -17.849 -14.868 1.00 0.00 C ATOM 745 CG2 VAL A 71 6.328 -17.887 -17.273 1.00 0.00 C ATOM 0 H VAL A 71 3.891 -15.781 -14.704 1.00 0.00 H new ATOM 0 HA VAL A 71 4.451 -15.855 -17.571 1.00 0.00 H new ATOM 0 HB VAL A 71 6.261 -16.192 -15.965 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.444 -18.245 -14.572 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.092 -17.196 -14.083 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.776 -18.674 -15.023 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.266 -18.280 -16.880 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.684 -18.714 -17.570 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.533 -17.258 -18.139 1.00 0.00 H new ATOM 755 N ASP A 72 2.457 -17.983 -16.024 1.00 0.00 N ATOM 756 CA ASP A 72 1.553 -19.132 -16.163 1.00 0.00 C ATOM 757 C ASP A 72 0.453 -19.097 -15.086 1.00 0.00 C ATOM 758 O ASP A 72 0.687 -18.666 -13.950 1.00 0.00 O ATOM 759 CB ASP A 72 2.368 -20.447 -16.045 1.00 0.00 C ATOM 760 CG ASP A 72 1.550 -21.712 -16.347 1.00 0.00 C ATOM 761 OD1 ASP A 72 1.415 -22.067 -17.535 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.046 -22.358 -15.401 1.00 0.00 O ATOM 0 H ASP A 72 2.424 -17.541 -15.105 1.00 0.00 H new ATOM 0 HA ASP A 72 1.074 -19.084 -17.141 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.215 -20.401 -16.729 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.776 -20.521 -15.037 1.00 0.00 H new ATOM 767 N THR A 73 -0.747 -19.538 -15.485 1.00 0.00 N ATOM 768 CA THR A 73 -1.859 -19.853 -14.587 1.00 0.00 C ATOM 769 C THR A 73 -2.436 -21.208 -15.016 1.00 0.00 C ATOM 770 O THR A 73 -2.977 -21.330 -16.117 1.00 0.00 O ATOM 771 CB THR A 73 -2.968 -18.746 -14.598 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.323 -18.410 -15.955 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.525 -17.476 -13.846 1.00 0.00 C ATOM 0 H THR A 73 -0.974 -19.689 -16.468 1.00 0.00 H new ATOM 0 HA THR A 73 -1.490 -19.897 -13.562 1.00 0.00 H new ATOM 0 HB THR A 73 -3.837 -19.153 -14.081 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.324 -19.222 -16.504 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.325 -16.736 -13.879 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.305 -17.726 -12.808 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.632 -17.067 -14.318 1.00 0.00 H new ATOM 781 N SER A 74 -2.282 -22.228 -14.157 1.00 0.00 N ATOM 782 CA SER A 74 -2.690 -23.614 -14.460 1.00 0.00 C ATOM 783 C SER A 74 -3.606 -24.157 -13.359 1.00 0.00 C ATOM 784 O SER A 74 -3.206 -24.229 -12.196 1.00 0.00 O ATOM 785 CB SER A 74 -1.435 -24.505 -14.612 1.00 0.00 C ATOM 786 OG SER A 74 -1.768 -25.849 -14.950 1.00 0.00 O ATOM 0 H SER A 74 -1.871 -22.117 -13.230 1.00 0.00 H new ATOM 0 HA SER A 74 -3.246 -23.623 -15.397 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.786 -24.088 -15.383 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.870 -24.496 -13.680 1.00 0.00 H new ATOM 0 HG SER A 74 -0.947 -26.377 -15.038 1.00 0.00 H new ATOM 792 N GLU A 75 -4.831 -24.541 -13.738 1.00 0.00 N ATOM 793 CA GLU A 75 -5.829 -25.106 -12.819 1.00 0.00 C ATOM 794 C GLU A 75 -5.365 -26.481 -12.298 1.00 0.00 C ATOM 795 O GLU A 75 -5.087 -27.389 -13.088 1.00 0.00 O ATOM 796 CB GLU A 75 -7.195 -25.193 -13.540 1.00 0.00 C ATOM 797 CG GLU A 75 -7.721 -23.824 -14.024 1.00 0.00 C ATOM 798 CD GLU A 75 -8.894 -23.946 -15.001 1.00 0.00 C ATOM 799 OE1 GLU A 75 -8.650 -24.175 -16.206 1.00 0.00 O ATOM 800 OE2 GLU A 75 -10.060 -23.828 -14.578 1.00 0.00 O ATOM 0 H GLU A 75 -5.161 -24.468 -14.700 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.941 -24.457 -11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.104 -25.862 -14.396 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.926 -25.637 -12.865 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.033 -23.235 -13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.909 -23.278 -14.505 1.00 0.00 H new ATOM 866 N ASN A 81 -9.316 -24.370 -7.665 1.00 0.00 N ATOM 867 CA ASN A 81 -7.891 -24.141 -7.372 1.00 0.00 C ATOM 868 C ASN A 81 -7.100 -23.992 -8.668 1.00 0.00 C ATOM 869 O ASN A 81 -7.198 -24.835 -9.568 1.00 0.00 O ATOM 870 CB ASN A 81 -7.288 -25.284 -6.499 1.00 0.00 C ATOM 871 CG ASN A 81 -5.825 -25.033 -6.074 1.00 0.00 C ATOM 872 OD1 ASN A 81 -5.361 -23.887 -6.009 1.00 0.00 O ATOM 873 ND2 ASN A 81 -5.102 -26.094 -5.757 1.00 0.00 N ATOM 0 HA ASN A 81 -7.818 -23.216 -6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.900 -25.409 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.340 -26.220 -7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.136 -25.980 -5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.510 -27.027 -5.820 1.00 0.00 H new ATOM 880 N TRP A 82 -6.304 -22.922 -8.733 1.00 0.00 N ATOM 881 CA TRP A 82 -5.468 -22.609 -9.885 1.00 0.00 C ATOM 882 C TRP A 82 -4.125 -22.020 -9.418 1.00 0.00 C ATOM 883 O TRP A 82 -4.081 -21.058 -8.650 1.00 0.00 O ATOM 884 CB TRP A 82 -6.217 -21.669 -10.888 1.00 0.00 C ATOM 885 CG TRP A 82 -6.775 -20.376 -10.303 1.00 0.00 C ATOM 886 CD1 TRP A 82 -7.693 -20.254 -9.300 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.473 -19.040 -10.716 1.00 0.00 C ATOM 888 NE1 TRP A 82 -7.945 -18.934 -9.044 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.219 -18.171 -9.904 1.00 0.00 C ATOM 890 CE3 TRP A 82 -5.641 -18.495 -11.691 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.154 -16.792 -10.028 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.575 -17.121 -11.815 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.330 -16.283 -10.988 1.00 0.00 C ATOM 0 H TRP A 82 -6.224 -22.243 -7.976 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.253 -23.529 -10.428 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.532 -21.413 -11.696 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.040 -22.228 -11.333 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.155 -21.082 -8.782 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.575 -18.580 -8.325 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.059 -19.135 -12.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -7.735 -16.144 -9.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.929 -16.686 -12.564 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.259 -15.212 -11.112 1.00 0.00 H new ATOM 904 N ARG A 83 -3.045 -22.662 -9.873 1.00 0.00 N ATOM 905 CA ARG A 83 -1.659 -22.230 -9.665 1.00 0.00 C ATOM 906 C ARG A 83 -1.422 -20.886 -10.373 1.00 0.00 C ATOM 907 O ARG A 83 -1.549 -20.791 -11.594 1.00 0.00 O ATOM 908 CB ARG A 83 -0.707 -23.334 -10.223 1.00 0.00 C ATOM 909 CG ARG A 83 0.759 -22.918 -10.484 1.00 0.00 C ATOM 910 CD ARG A 83 1.542 -22.527 -9.221 1.00 0.00 C ATOM 911 NE ARG A 83 2.970 -22.285 -9.522 1.00 0.00 N ATOM 912 CZ ARG A 83 3.880 -23.231 -9.857 1.00 0.00 C ATOM 913 NH1 ARG A 83 3.542 -24.517 -9.917 1.00 0.00 N ATOM 914 NH2 ARG A 83 5.128 -22.874 -10.121 1.00 0.00 N ATOM 0 H ARG A 83 -3.113 -23.524 -10.414 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.459 -22.089 -8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.704 -24.168 -9.521 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.127 -23.705 -11.158 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.276 -23.742 -10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.767 -22.077 -11.177 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.104 -21.630 -8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.455 -23.319 -8.478 1.00 0.00 H new ATOM 0 HE ARG A 83 3.299 -21.321 -9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.585 -24.803 -9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.240 -25.216 -10.171 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.399 -21.892 -10.071 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.818 -23.581 -10.374 1.00 0.00 H new ATOM 928 N VAL A 84 -1.118 -19.855 -9.574 1.00 0.00 N ATOM 929 CA VAL A 84 -0.727 -18.536 -10.070 1.00 0.00 C ATOM 930 C VAL A 84 0.782 -18.379 -9.837 1.00 0.00 C ATOM 931 O VAL A 84 1.228 -18.256 -8.695 1.00 0.00 O ATOM 932 CB VAL A 84 -1.497 -17.377 -9.333 1.00 0.00 C ATOM 933 CG1 VAL A 84 -1.193 -16.001 -9.978 1.00 0.00 C ATOM 934 CG2 VAL A 84 -3.013 -17.659 -9.279 1.00 0.00 C ATOM 0 H VAL A 84 -1.138 -19.917 -8.556 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.977 -18.466 -11.129 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.137 -17.340 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.739 -15.222 -9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.123 -15.800 -9.918 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.502 -16.013 -11.023 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.517 -16.841 -8.764 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.403 -17.745 -10.293 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.191 -18.590 -8.741 1.00 0.00 H new ATOM 944 N VAL A 85 1.567 -18.426 -10.918 1.00 0.00 N ATOM 945 CA VAL A 85 3.022 -18.204 -10.861 1.00 0.00 C ATOM 946 C VAL A 85 3.375 -16.984 -11.721 1.00 0.00 C ATOM 947 O VAL A 85 2.984 -16.892 -12.891 1.00 0.00 O ATOM 948 CB VAL A 85 3.830 -19.493 -11.283 1.00 0.00 C ATOM 949 CG1 VAL A 85 3.421 -20.027 -12.669 1.00 0.00 C ATOM 950 CG2 VAL A 85 5.360 -19.274 -11.172 1.00 0.00 C ATOM 0 H VAL A 85 1.216 -18.618 -11.856 1.00 0.00 H new ATOM 0 HA VAL A 85 3.314 -18.000 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 85 3.562 -20.272 -10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.010 -20.913 -12.906 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.362 -20.286 -12.661 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.601 -19.260 -13.422 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.880 -20.184 -11.471 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.658 -18.454 -11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.619 -19.030 -10.142 1.00 0.00 H new ATOM 960 N ALA A 86 4.090 -16.029 -11.110 1.00 0.00 N ATOM 961 CA ALA A 86 4.432 -14.750 -11.734 1.00 0.00 C ATOM 962 C ALA A 86 5.858 -14.354 -11.375 1.00 0.00 C ATOM 963 O ALA A 86 6.323 -14.592 -10.269 1.00 0.00 O ATOM 964 CB ALA A 86 3.451 -13.651 -11.305 1.00 0.00 C ATOM 0 H ALA A 86 4.449 -16.127 -10.160 1.00 0.00 H new ATOM 0 HA ALA A 86 4.359 -14.868 -12.815 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.727 -12.711 -11.782 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.440 -13.928 -11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.488 -13.533 -10.222 1.00 0.00 H new ATOM 970 N ASP A 87 6.534 -13.766 -12.337 1.00 0.00 N ATOM 971 CA ASP A 87 7.906 -13.267 -12.206 1.00 0.00 C ATOM 972 C ASP A 87 7.900 -11.781 -11.842 1.00 0.00 C ATOM 973 O ASP A 87 7.050 -11.035 -12.304 1.00 0.00 O ATOM 974 CB ASP A 87 8.708 -13.554 -13.510 1.00 0.00 C ATOM 975 CG ASP A 87 7.863 -13.473 -14.787 1.00 0.00 C ATOM 976 OD1 ASP A 87 7.160 -14.448 -15.084 1.00 0.00 O ATOM 977 OD2 ASP A 87 7.891 -12.457 -15.487 1.00 0.00 O ATOM 0 H ASP A 87 6.141 -13.612 -13.266 1.00 0.00 H new ATOM 0 HA ASP A 87 8.407 -13.794 -11.394 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.530 -12.842 -13.584 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.152 -14.547 -13.441 1.00 0.00 H new ATOM 982 N VAL A 88 8.860 -11.368 -10.999 1.00 0.00 N ATOM 983 CA VAL A 88 8.903 -10.022 -10.387 1.00 0.00 C ATOM 984 C VAL A 88 10.140 -9.242 -10.880 1.00 0.00 C ATOM 985 O VAL A 88 11.229 -9.811 -11.036 1.00 0.00 O ATOM 986 CB VAL A 88 8.870 -10.133 -8.814 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.531 -10.744 -8.346 1.00 0.00 C ATOM 988 CG2 VAL A 88 10.058 -10.958 -8.261 1.00 0.00 C ATOM 0 H VAL A 88 9.639 -11.963 -10.717 1.00 0.00 H new ATOM 0 HA VAL A 88 8.020 -9.464 -10.697 1.00 0.00 H new ATOM 0 HB VAL A 88 8.963 -9.122 -8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.524 -10.814 -7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.707 -10.110 -8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.416 -11.740 -8.775 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.992 -11.007 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.023 -11.967 -8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.996 -10.482 -8.547 1.00 0.00 H new ATOM 998 N TYR A 89 9.960 -7.924 -11.116 1.00 0.00 N ATOM 999 CA TYR A 89 10.930 -7.072 -11.845 1.00 0.00 C ATOM 1000 C TYR A 89 11.352 -5.842 -11.030 1.00 0.00 C ATOM 1001 O TYR A 89 10.721 -5.475 -10.039 1.00 0.00 O ATOM 1002 CB TYR A 89 10.307 -6.585 -13.178 1.00 0.00 C ATOM 1003 CG TYR A 89 10.014 -7.684 -14.204 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.848 -8.447 -14.130 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.884 -7.929 -15.270 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.564 -9.398 -15.083 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.600 -8.888 -16.220 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.445 -9.618 -16.123 1.00 0.00 C ATOM 1009 OH TYR A 89 9.146 -10.557 -17.083 1.00 0.00 O ATOM 0 H TYR A 89 9.132 -7.416 -10.804 1.00 0.00 H new ATOM 0 HA TYR A 89 11.813 -7.684 -12.029 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.377 -6.061 -12.955 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.981 -5.858 -13.631 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.159 -8.289 -13.313 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.796 -7.357 -15.352 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.652 -9.972 -15.017 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.285 -9.062 -17.036 1.00 0.00 H new ATOM 0 HH TYR A 89 8.672 -11.309 -16.669 1.00 0.00 H new ATOM 1019 N LYS A 90 12.412 -5.179 -11.518 1.00 0.00 N ATOM 1020 CA LYS A 90 12.969 -3.954 -10.918 1.00 0.00 C ATOM 1021 C LYS A 90 12.520 -2.710 -11.701 1.00 0.00 C ATOM 1022 O LYS A 90 12.020 -2.811 -12.829 1.00 0.00 O ATOM 1023 CB LYS A 90 14.521 -4.056 -10.896 1.00 0.00 C ATOM 1024 CG LYS A 90 15.106 -5.253 -10.083 1.00 0.00 C ATOM 1025 CD LYS A 90 15.267 -4.986 -8.557 1.00 0.00 C ATOM 1026 CE LYS A 90 13.950 -4.825 -7.774 1.00 0.00 C ATOM 1027 NZ LYS A 90 14.196 -4.476 -6.359 1.00 0.00 N ATOM 0 H LYS A 90 12.914 -5.482 -12.352 1.00 0.00 H new ATOM 0 HA LYS A 90 12.599 -3.855 -9.898 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.877 -4.129 -11.924 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.922 -3.130 -10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.458 -6.119 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.080 -5.515 -10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.833 -5.808 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.862 -4.083 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.342 -4.050 -8.240 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.379 -5.752 -7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.294 -4.243 -5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.635 -5.284 -5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.832 -3.655 -6.310 1.00 0.00 H new ATOM 1041 N ALA A 91 12.693 -1.536 -11.066 1.00 0.00 N ATOM 1042 CA ALA A 91 12.446 -0.230 -11.698 1.00 0.00 C ATOM 1043 C ALA A 91 13.731 0.229 -12.429 1.00 0.00 C ATOM 1044 O ALA A 91 13.831 0.043 -13.659 1.00 0.00 O ATOM 1045 CB ALA A 91 11.982 0.806 -10.646 1.00 0.00 C ATOM 1046 OXT ALA A 91 14.658 0.728 -11.752 1.00 0.00 O ATOM 0 H ALA A 91 13.009 -1.468 -10.098 1.00 0.00 H new ATOM 0 HA ALA A 91 11.644 -0.320 -12.430 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.805 1.765 -11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.060 0.461 -10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.754 0.923 -9.885 1.00 0.00 H new