USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 5 THR OG1 : rot -66:sc= 1.13 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.6 K(o=2.7,f=-0.8!) USER MOD Single : A 9 GLN : amide:sc=-0.00142 X(o=-0.0014,f=-0.017) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.22) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.388 USER MOD Single : A 33 GLN : amide:sc= 0.267 X(o=0.27,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 46 HIS : no HD1:sc= -0.0147 K(o=-0.015,f=-0.98) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -8.967 -3.448 -9.868 1.00 0.00 N ATOM 51 CA LEU A 4 -8.681 -3.825 -8.467 1.00 0.00 C ATOM 52 C LEU A 4 -9.903 -3.743 -7.487 1.00 0.00 C ATOM 53 O LEU A 4 -10.937 -3.129 -7.772 1.00 0.00 O ATOM 54 CB LEU A 4 -7.457 -2.976 -8.014 1.00 0.00 C ATOM 55 CG LEU A 4 -7.515 -1.438 -8.159 1.00 0.00 C ATOM 56 CD1 LEU A 4 -8.553 -0.768 -7.265 1.00 0.00 C ATOM 57 CD2 LEU A 4 -6.148 -0.840 -7.817 1.00 0.00 C ATOM 0 HA LEU A 4 -8.448 -4.889 -8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.272 -3.200 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.589 -3.326 -8.573 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.801 -1.249 -9.194 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.531 0.310 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.544 -1.151 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.327 -0.983 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.189 0.244 -7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.884 -1.098 -6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.396 -1.240 -8.497 1.00 0.00 H new ATOM 69 N THR A 5 -9.765 -4.364 -6.312 1.00 0.00 N ATOM 70 CA THR A 5 -10.801 -4.313 -5.241 1.00 0.00 C ATOM 71 C THR A 5 -10.739 -3.006 -4.369 1.00 0.00 C ATOM 72 O THR A 5 -9.698 -2.354 -4.253 1.00 0.00 O ATOM 73 CB THR A 5 -10.713 -5.572 -4.309 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.452 -5.673 -3.654 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.961 -6.903 -5.011 1.00 0.00 C ATOM 0 H THR A 5 -8.944 -4.916 -6.064 1.00 0.00 H new ATOM 0 HA THR A 5 -11.758 -4.306 -5.762 1.00 0.00 H new ATOM 0 HB THR A 5 -11.516 -5.402 -3.592 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.751 -5.844 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.880 -7.716 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.960 -6.904 -5.447 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.221 -7.042 -5.799 1.00 0.00 H new ATOM 83 N ALA A 6 -11.851 -2.663 -3.698 1.00 0.00 N ATOM 84 CA ALA A 6 -11.897 -1.516 -2.747 1.00 0.00 C ATOM 85 C ALA A 6 -10.858 -1.500 -1.569 1.00 0.00 C ATOM 86 O ALA A 6 -10.292 -0.441 -1.292 1.00 0.00 O ATOM 87 CB ALA A 6 -13.341 -1.429 -2.232 1.00 0.00 C ATOM 0 H ALA A 6 -12.738 -3.159 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.586 -0.635 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.427 -0.601 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.017 -1.265 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.605 -2.360 -1.730 1.00 0.00 H new ATOM 93 N ARG A 7 -10.568 -2.650 -0.934 1.00 0.00 N ATOM 94 CA ARG A 7 -9.440 -2.767 0.033 1.00 0.00 C ATOM 95 C ARG A 7 -7.996 -2.561 -0.577 1.00 0.00 C ATOM 96 O ARG A 7 -7.170 -1.917 0.070 1.00 0.00 O ATOM 97 CB ARG A 7 -9.495 -4.107 0.802 1.00 0.00 C ATOM 98 CG ARG A 7 -10.746 -4.420 1.641 1.00 0.00 C ATOM 99 CD ARG A 7 -11.172 -3.388 2.693 1.00 0.00 C ATOM 100 NE ARG A 7 -10.183 -3.259 3.786 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.339 -2.533 4.884 1.00 0.00 C ATOM 102 NH1 ARG A 7 -11.396 -1.823 5.159 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.379 -2.521 5.741 1.00 0.00 N ATOM 0 H ARG A 7 -11.093 -3.515 -1.067 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.594 -1.931 0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.373 -4.911 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.632 -4.144 1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.582 -4.567 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.580 -5.370 2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.309 -2.419 2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -12.137 -3.676 3.111 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.307 -3.772 3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.179 -1.800 4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.440 -1.290 6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.531 -3.060 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.466 -1.973 6.597 1.00 0.00 H new ATOM 116 N GLN A 8 -7.706 -3.035 -1.802 1.00 0.00 N ATOM 117 CA GLN A 8 -6.486 -2.627 -2.556 1.00 0.00 C ATOM 118 C GLN A 8 -6.349 -1.078 -2.836 1.00 0.00 C ATOM 119 O GLN A 8 -5.269 -0.529 -2.611 1.00 0.00 O ATOM 120 CB GLN A 8 -6.435 -3.376 -3.918 1.00 0.00 C ATOM 121 CG GLN A 8 -6.221 -4.894 -3.813 1.00 0.00 C ATOM 122 CD GLN A 8 -6.349 -5.626 -5.134 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.436 -6.019 -5.544 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.277 -5.833 -5.849 1.00 0.00 N ATOM 0 H GLN A 8 -8.295 -3.703 -2.300 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.654 -2.895 -1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.366 -3.191 -4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.632 -2.951 -4.520 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.231 -5.083 -3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.945 -5.305 -3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.370 -5.509 -5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.346 -6.319 -6.743 1.00 0.00 H new ATOM 133 N GLN A 9 -7.417 -0.392 -3.284 1.00 0.00 N ATOM 134 CA GLN A 9 -7.429 1.097 -3.395 1.00 0.00 C ATOM 135 C GLN A 9 -7.319 1.885 -2.048 1.00 0.00 C ATOM 136 O GLN A 9 -6.606 2.888 -2.005 1.00 0.00 O ATOM 137 CB GLN A 9 -8.658 1.514 -4.228 1.00 0.00 C ATOM 138 CG GLN A 9 -8.676 2.980 -4.724 1.00 0.00 C ATOM 139 CD GLN A 9 -7.519 3.420 -5.615 1.00 0.00 C ATOM 140 OE1 GLN A 9 -6.914 2.653 -6.354 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.157 4.675 -5.583 1.00 0.00 N ATOM 0 H GLN A 9 -8.287 -0.836 -3.577 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.507 1.383 -3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.724 0.857 -5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.553 1.343 -3.630 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.605 3.142 -5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.700 3.633 -3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.647 5.332 -4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.385 4.998 -6.166 1.00 0.00 H new ATOM 150 N GLU A 10 -7.959 1.438 -0.957 1.00 0.00 N ATOM 151 CA GLU A 10 -7.609 1.880 0.425 1.00 0.00 C ATOM 152 C GLU A 10 -6.081 1.764 0.808 1.00 0.00 C ATOM 153 O GLU A 10 -5.510 2.744 1.288 1.00 0.00 O ATOM 154 CB GLU A 10 -8.467 1.078 1.432 1.00 0.00 C ATOM 155 CG GLU A 10 -9.938 1.522 1.547 1.00 0.00 C ATOM 156 CD GLU A 10 -10.748 0.648 2.496 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.771 0.056 2.170 1.00 0.00 O ATOM 158 OE2 GLU A 10 -10.206 0.590 3.744 1.00 0.00 O ATOM 0 H GLU A 10 -8.727 0.767 -0.993 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.823 2.948 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.444 0.026 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.005 1.151 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.975 2.555 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.397 1.500 0.559 1.00 0.00 H new ATOM 166 N VAL A 11 -5.438 0.616 0.549 1.00 0.00 N ATOM 167 CA VAL A 11 -3.955 0.454 0.679 1.00 0.00 C ATOM 168 C VAL A 11 -3.123 1.419 -0.238 1.00 0.00 C ATOM 169 O VAL A 11 -2.215 2.072 0.283 1.00 0.00 O ATOM 170 CB VAL A 11 -3.580 -1.057 0.522 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.062 -1.335 0.529 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.165 -1.923 1.666 1.00 0.00 C ATOM 0 H VAL A 11 -5.916 -0.232 0.244 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.668 0.770 1.682 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.002 -1.318 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.888 -2.405 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.591 -0.801 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.634 -0.996 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.880 -2.964 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.776 -1.574 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.252 -1.841 1.665 1.00 0.00 H new ATOM 182 N PHE A 12 -3.440 1.551 -1.541 1.00 0.00 N ATOM 183 CA PHE A 12 -2.833 2.603 -2.407 1.00 0.00 C ATOM 184 C PHE A 12 -3.032 4.086 -1.934 1.00 0.00 C ATOM 185 O PHE A 12 -2.061 4.841 -1.916 1.00 0.00 O ATOM 186 CB PHE A 12 -3.264 2.376 -3.875 1.00 0.00 C ATOM 187 CG PHE A 12 -2.482 3.210 -4.925 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.072 3.278 -4.934 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.184 3.925 -5.905 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.396 4.062 -5.869 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.504 4.699 -6.850 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.115 4.778 -6.820 1.00 0.00 C ATOM 0 H PHE A 12 -4.108 0.950 -2.023 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.754 2.479 -2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.147 1.319 -4.113 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.325 2.608 -3.966 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.508 2.714 -4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.263 3.877 -5.930 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.683 4.113 -5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.058 5.237 -7.605 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.595 5.396 -7.536 1.00 0.00 H new ATOM 202 N ASP A 13 -4.241 4.472 -1.507 1.00 0.00 N ATOM 203 CA ASP A 13 -4.480 5.781 -0.843 1.00 0.00 C ATOM 204 C ASP A 13 -3.688 6.029 0.495 1.00 0.00 C ATOM 205 O ASP A 13 -3.204 7.143 0.670 1.00 0.00 O ATOM 206 CB ASP A 13 -5.998 5.975 -0.618 1.00 0.00 C ATOM 207 CG ASP A 13 -6.766 6.404 -1.857 1.00 0.00 C ATOM 208 OD1 ASP A 13 -6.973 7.576 -2.146 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.207 5.348 -2.595 1.00 0.00 O ATOM 0 H ASP A 13 -5.080 3.900 -1.606 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.083 6.528 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.421 5.041 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.145 6.722 0.162 1.00 0.00 H new ATOM 215 N LEU A 14 -3.535 5.050 1.402 1.00 0.00 N ATOM 216 CA LEU A 14 -2.711 5.227 2.642 1.00 0.00 C ATOM 217 C LEU A 14 -1.162 5.326 2.401 1.00 0.00 C ATOM 218 O LEU A 14 -0.527 6.224 2.962 1.00 0.00 O ATOM 219 CB LEU A 14 -3.106 4.123 3.651 1.00 0.00 C ATOM 220 CG LEU A 14 -3.021 4.432 5.162 1.00 0.00 C ATOM 221 CD1 LEU A 14 -1.637 4.810 5.681 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.035 5.504 5.585 1.00 0.00 C ATOM 0 H LEU A 14 -3.962 4.128 1.314 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.942 6.207 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.132 3.827 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.475 3.256 3.455 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.266 3.477 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.691 5.006 6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.943 3.990 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.287 5.704 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.942 5.691 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.840 6.426 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.045 5.157 5.364 1.00 0.00 H new ATOM 234 N ILE A 15 -0.562 4.467 1.555 1.00 0.00 N ATOM 235 CA ILE A 15 0.851 4.671 1.058 1.00 0.00 C ATOM 236 C ILE A 15 1.108 6.045 0.349 1.00 0.00 C ATOM 237 O ILE A 15 2.035 6.763 0.729 1.00 0.00 O ATOM 238 CB ILE A 15 1.338 3.379 0.333 1.00 0.00 C ATOM 239 CG1 ILE A 15 2.863 3.117 0.316 1.00 0.00 C ATOM 240 CG2 ILE A 15 0.751 3.157 -1.067 1.00 0.00 C ATOM 241 CD1 ILE A 15 3.759 4.116 -0.403 1.00 0.00 C ATOM 0 H ILE A 15 -1.012 3.627 1.193 1.00 0.00 H new ATOM 0 HA ILE A 15 1.516 4.797 1.912 1.00 0.00 H new ATOM 0 HB ILE A 15 0.914 2.629 1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.201 3.052 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.027 2.138 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.151 2.234 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.334 3.085 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.019 3.994 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.798 3.794 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.473 4.171 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.649 5.099 0.055 1.00 0.00 H new ATOM 253 N ARG A 16 0.236 6.445 -0.582 1.00 0.00 N ATOM 254 CA ARG A 16 0.185 7.827 -1.142 1.00 0.00 C ATOM 255 C ARG A 16 0.058 9.001 -0.115 1.00 0.00 C ATOM 256 O ARG A 16 0.873 9.925 -0.135 1.00 0.00 O ATOM 257 CB ARG A 16 -0.977 7.775 -2.160 1.00 0.00 C ATOM 258 CG ARG A 16 -1.072 8.972 -3.111 1.00 0.00 C ATOM 259 CD ARG A 16 -2.167 8.771 -4.170 1.00 0.00 C ATOM 260 NE ARG A 16 -3.543 8.919 -3.630 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.179 10.067 -3.440 1.00 0.00 C ATOM 262 NH1 ARG A 16 -3.675 11.237 -3.703 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.377 10.022 -2.968 1.00 0.00 N ATOM 0 H ARG A 16 -0.467 5.823 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 16 1.146 8.079 -1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.876 6.867 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.915 7.694 -1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.281 9.876 -2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.112 9.122 -3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.021 9.492 -4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.061 7.778 -4.608 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.042 8.064 -3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.731 11.312 -4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.224 12.079 -3.531 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.807 9.122 -2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.895 10.886 -2.809 1.00 0.00 H new ATOM 276 N ASP A 17 -0.940 8.938 0.772 1.00 0.00 N ATOM 277 CA ASP A 17 -1.177 9.955 1.832 1.00 0.00 C ATOM 278 C ASP A 17 -0.032 10.140 2.880 1.00 0.00 C ATOM 279 O ASP A 17 0.326 11.285 3.155 1.00 0.00 O ATOM 280 CB ASP A 17 -2.546 9.595 2.450 1.00 0.00 C ATOM 281 CG ASP A 17 -3.131 10.574 3.443 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.455 10.267 4.584 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.250 11.829 2.930 1.00 0.00 O ATOM 0 H ASP A 17 -1.619 8.177 0.785 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.184 10.949 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.262 9.469 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.451 8.628 2.944 1.00 0.00 H new ATOM 289 N HIS A 18 0.549 9.072 3.450 1.00 0.00 N ATOM 290 CA HIS A 18 1.730 9.204 4.359 1.00 0.00 C ATOM 291 C HIS A 18 3.081 9.630 3.678 1.00 0.00 C ATOM 292 O HIS A 18 3.814 10.419 4.278 1.00 0.00 O ATOM 293 CB HIS A 18 1.824 7.913 5.193 1.00 0.00 C ATOM 294 CG HIS A 18 2.708 8.016 6.452 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.430 8.915 7.474 1.00 0.00 N ATOM 296 CD2 HIS A 18 3.827 7.227 6.798 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.446 8.616 8.339 1.00 0.00 C ATOM 298 NE2 HIS A 18 4.300 7.594 8.040 1.00 0.00 N ATOM 0 H HIS A 18 0.235 8.112 3.308 1.00 0.00 H new ATOM 0 HA HIS A 18 1.559 10.060 5.011 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.819 7.619 5.496 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.212 7.116 4.559 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.251 6.449 6.180 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.571 9.183 9.250 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.072 7.209 8.584 1.00 0.00 H new ATOM 306 N ILE A 19 3.371 9.205 2.435 1.00 0.00 N ATOM 307 CA ILE A 19 4.419 9.862 1.570 1.00 0.00 C ATOM 308 C ILE A 19 4.175 11.407 1.353 1.00 0.00 C ATOM 309 O ILE A 19 5.103 12.189 1.557 1.00 0.00 O ATOM 310 CB ILE A 19 4.549 9.057 0.224 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.231 7.669 0.404 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.233 9.798 -0.951 1.00 0.00 C ATOM 313 CD1 ILE A 19 6.726 7.668 0.716 1.00 0.00 C ATOM 0 H ILE A 19 2.906 8.413 1.991 1.00 0.00 H new ATOM 0 HA ILE A 19 5.374 9.823 2.093 1.00 0.00 H new ATOM 0 HB ILE A 19 3.503 8.928 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.717 7.140 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.075 7.094 -0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.265 9.145 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.667 10.698 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.248 10.073 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.076 6.641 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.267 8.158 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.904 8.205 1.648 1.00 0.00 H new ATOM 325 N SER A 20 2.965 11.835 0.959 1.00 0.00 N ATOM 326 CA SER A 20 2.635 13.278 0.806 1.00 0.00 C ATOM 327 C SER A 20 2.560 14.161 2.105 1.00 0.00 C ATOM 328 O SER A 20 2.834 15.358 2.017 1.00 0.00 O ATOM 329 CB SER A 20 1.293 13.363 0.033 1.00 0.00 C ATOM 330 OG SER A 20 1.005 14.707 -0.357 1.00 0.00 O ATOM 0 H SER A 20 2.191 11.208 0.738 1.00 0.00 H new ATOM 0 HA SER A 20 3.484 13.712 0.277 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.339 12.727 -0.851 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.485 12.982 0.658 1.00 0.00 H new ATOM 0 HG SER A 20 0.155 14.731 -0.844 1.00 0.00 H new ATOM 336 N GLN A 21 2.144 13.606 3.249 1.00 0.00 N ATOM 337 CA GLN A 21 2.023 14.357 4.528 1.00 0.00 C ATOM 338 C GLN A 21 3.322 14.331 5.419 1.00 0.00 C ATOM 339 O GLN A 21 3.720 15.376 5.931 1.00 0.00 O ATOM 340 CB GLN A 21 0.828 13.779 5.345 1.00 0.00 C ATOM 341 CG GLN A 21 -0.560 14.003 4.709 1.00 0.00 C ATOM 342 CD GLN A 21 -1.767 13.296 5.313 1.00 0.00 C ATOM 343 OE1 GLN A 21 -2.906 13.652 5.033 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.630 12.216 6.045 1.00 0.00 N ATOM 0 H GLN A 21 1.879 12.624 3.326 1.00 0.00 H new ATOM 0 HA GLN A 21 1.860 15.401 4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.982 12.708 5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.834 14.229 6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.762 15.074 4.726 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.495 13.708 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.699 11.887 6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.455 11.705 6.360 1.00 0.00 H new ATOM 353 N THR A 22 3.915 13.150 5.646 1.00 0.00 N ATOM 354 CA THR A 22 5.179 12.999 6.435 1.00 0.00 C ATOM 355 C THR A 22 6.468 12.781 5.567 1.00 0.00 C ATOM 356 O THR A 22 7.531 13.270 5.955 1.00 0.00 O ATOM 357 CB THR A 22 4.971 11.829 7.452 1.00 0.00 C ATOM 358 OG1 THR A 22 3.815 12.064 8.253 1.00 0.00 O ATOM 359 CG2 THR A 22 6.102 11.640 8.454 1.00 0.00 C ATOM 0 H THR A 22 3.545 12.266 5.296 1.00 0.00 H new ATOM 0 HA THR A 22 5.365 13.941 6.950 1.00 0.00 H new ATOM 0 HB THR A 22 4.898 10.947 6.815 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.697 11.323 8.883 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.866 10.806 9.116 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.029 11.429 7.921 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.221 12.549 9.044 1.00 0.00 H new ATOM 367 N GLY A 23 6.400 12.013 4.470 1.00 0.00 N ATOM 368 CA GLY A 23 7.599 11.561 3.719 1.00 0.00 C ATOM 369 C GLY A 23 7.982 10.064 3.788 1.00 0.00 C ATOM 370 O GLY A 23 8.803 9.633 2.977 1.00 0.00 O ATOM 0 H GLY A 23 5.520 11.684 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.452 11.819 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.452 12.140 4.073 1.00 0.00 H new ATOM 374 N MET A 24 7.439 9.286 4.734 1.00 0.00 N ATOM 375 CA MET A 24 7.832 7.873 4.942 1.00 0.00 C ATOM 376 C MET A 24 6.873 6.838 4.240 1.00 0.00 C ATOM 377 O MET A 24 5.660 7.061 4.245 1.00 0.00 O ATOM 378 CB MET A 24 7.874 7.561 6.465 1.00 0.00 C ATOM 379 CG MET A 24 9.012 8.242 7.239 1.00 0.00 C ATOM 380 SD MET A 24 9.092 7.585 8.917 1.00 0.00 S ATOM 381 CE MET A 24 7.910 8.649 9.759 1.00 0.00 C ATOM 0 H MET A 24 6.717 9.610 5.378 1.00 0.00 H new ATOM 0 HA MET A 24 8.815 7.761 4.485 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.924 7.861 6.908 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.961 6.482 6.597 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.961 8.076 6.729 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.850 9.319 7.268 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.849 8.365 10.810 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.235 9.686 9.682 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.929 8.541 9.296 1.00 0.00 H new ATOM 391 N PRO A 25 7.347 5.685 3.690 1.00 0.00 N ATOM 392 CA PRO A 25 6.441 4.635 3.118 1.00 0.00 C ATOM 393 C PRO A 25 5.816 3.688 4.197 1.00 0.00 C ATOM 394 O PRO A 25 6.572 2.934 4.817 1.00 0.00 O ATOM 395 CB PRO A 25 7.395 3.892 2.142 1.00 0.00 C ATOM 396 CG PRO A 25 8.792 4.043 2.776 1.00 0.00 C ATOM 397 CD PRO A 25 8.779 5.430 3.424 1.00 0.00 C ATOM 0 HA PRO A 25 5.554 5.050 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.118 2.843 2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.362 4.331 1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.978 3.263 3.514 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.578 3.965 2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.365 5.447 4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.203 6.185 2.761 1.00 0.00 H new ATOM 405 N PRO A 26 4.481 3.658 4.458 1.00 0.00 N ATOM 406 CA PRO A 26 3.901 2.819 5.558 1.00 0.00 C ATOM 407 C PRO A 26 3.777 1.304 5.234 1.00 0.00 C ATOM 408 O PRO A 26 3.136 0.894 4.262 1.00 0.00 O ATOM 409 CB PRO A 26 2.526 3.504 5.795 1.00 0.00 C ATOM 410 CG PRO A 26 2.155 4.095 4.423 1.00 0.00 C ATOM 411 CD PRO A 26 3.499 4.584 3.864 1.00 0.00 C ATOM 0 HA PRO A 26 4.545 2.791 6.437 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.778 2.788 6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.594 4.280 6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.700 3.347 3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.440 4.912 4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.518 4.544 2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.699 5.617 4.149 1.00 0.00 H new ATOM 419 N THR A 27 4.373 0.477 6.094 1.00 0.00 N ATOM 420 CA THR A 27 4.286 -1.012 6.002 1.00 0.00 C ATOM 421 C THR A 27 3.074 -1.619 6.808 1.00 0.00 C ATOM 422 O THR A 27 2.286 -0.903 7.432 1.00 0.00 O ATOM 423 CB THR A 27 5.664 -1.649 6.415 1.00 0.00 C ATOM 424 OG1 THR A 27 6.199 -1.106 7.622 1.00 0.00 O ATOM 425 CG2 THR A 27 6.712 -1.551 5.308 1.00 0.00 C ATOM 0 H THR A 27 4.934 0.804 6.881 1.00 0.00 H new ATOM 0 HA THR A 27 4.080 -1.269 4.963 1.00 0.00 H new ATOM 0 HB THR A 27 5.435 -2.700 6.590 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.053 -1.542 7.827 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.643 -2.006 5.647 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.354 -2.074 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.888 -0.503 5.065 1.00 0.00 H new ATOM 433 N ARG A 28 2.935 -2.957 6.753 1.00 0.00 N ATOM 434 CA ARG A 28 1.853 -3.750 7.409 1.00 0.00 C ATOM 435 C ARG A 28 1.203 -3.292 8.754 1.00 0.00 C ATOM 436 O ARG A 28 -0.023 -3.312 8.861 1.00 0.00 O ATOM 437 CB ARG A 28 2.307 -5.242 7.458 1.00 0.00 C ATOM 438 CG ARG A 28 3.441 -5.576 8.446 1.00 0.00 C ATOM 439 CD ARG A 28 3.964 -7.015 8.373 1.00 0.00 C ATOM 440 NE ARG A 28 2.986 -7.978 8.936 1.00 0.00 N ATOM 441 CZ ARG A 28 3.250 -9.233 9.266 1.00 0.00 C ATOM 442 NH1 ARG A 28 4.415 -9.798 9.145 1.00 0.00 N ATOM 443 NH2 ARG A 28 2.281 -9.944 9.730 1.00 0.00 N ATOM 0 H ARG A 28 3.589 -3.545 6.236 1.00 0.00 H new ATOM 0 HA ARG A 28 0.996 -3.561 6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.442 -5.855 7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.626 -5.536 6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.272 -4.894 8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.087 -5.385 9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.176 -7.274 7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.905 -7.089 8.918 1.00 0.00 H new ATOM 0 HE ARG A 28 2.032 -7.646 9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.203 -9.267 8.774 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.541 -10.772 9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.352 -9.536 9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.443 -10.915 9.996 1.00 0.00 H new ATOM 456 N ALA A 29 2.002 -2.881 9.750 1.00 0.00 N ATOM 457 CA ALA A 29 1.481 -2.344 11.031 1.00 0.00 C ATOM 458 C ALA A 29 0.741 -0.967 10.963 1.00 0.00 C ATOM 459 O ALA A 29 -0.315 -0.823 11.578 1.00 0.00 O ATOM 460 CB ALA A 29 2.672 -2.307 12.003 1.00 0.00 C ATOM 0 H ALA A 29 3.020 -2.908 9.699 1.00 0.00 H new ATOM 0 HA ALA A 29 0.683 -3.006 11.367 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.343 -1.918 12.967 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.066 -3.315 12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.452 -1.662 11.598 1.00 0.00 H new ATOM 466 N GLU A 30 1.278 0.023 10.235 1.00 0.00 N ATOM 467 CA GLU A 30 0.569 1.314 9.981 1.00 0.00 C ATOM 468 C GLU A 30 -0.647 1.217 8.997 1.00 0.00 C ATOM 469 O GLU A 30 -1.715 1.746 9.309 1.00 0.00 O ATOM 470 CB GLU A 30 1.650 2.325 9.530 1.00 0.00 C ATOM 471 CG GLU A 30 1.178 3.788 9.587 1.00 0.00 C ATOM 472 CD GLU A 30 2.222 4.824 9.223 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.435 4.682 9.374 1.00 0.00 O ATOM 474 OE2 GLU A 30 1.653 5.938 8.694 1.00 0.00 O ATOM 0 H GLU A 30 2.201 -0.033 9.806 1.00 0.00 H new ATOM 0 HA GLU A 30 0.083 1.647 10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.531 2.210 10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.956 2.089 8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.327 3.904 8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.820 3.997 10.595 1.00 0.00 H new ATOM 482 N ILE A 31 -0.504 0.497 7.873 1.00 0.00 N ATOM 483 CA ILE A 31 -1.652 0.078 6.999 1.00 0.00 C ATOM 484 C ILE A 31 -2.835 -0.632 7.783 1.00 0.00 C ATOM 485 O ILE A 31 -3.993 -0.255 7.596 1.00 0.00 O ATOM 486 CB ILE A 31 -1.100 -0.796 5.816 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.037 -0.101 4.913 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.191 -1.375 4.886 1.00 0.00 C ATOM 489 CD1 ILE A 31 -0.485 1.111 4.100 1.00 0.00 C ATOM 0 H ILE A 31 0.403 0.181 7.530 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.113 0.980 6.597 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.618 -1.604 6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.793 0.209 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.353 -0.846 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.722 -1.964 4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.862 -2.010 5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.759 -0.559 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.356 1.491 3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.289 0.819 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.842 1.889 4.774 1.00 0.00 H new ATOM 501 N ALA A 32 -2.540 -1.600 8.666 1.00 0.00 N ATOM 502 CA ALA A 32 -3.533 -2.169 9.610 1.00 0.00 C ATOM 503 C ALA A 32 -4.197 -1.210 10.653 1.00 0.00 C ATOM 504 O ALA A 32 -5.413 -1.293 10.836 1.00 0.00 O ATOM 505 CB ALA A 32 -2.832 -3.350 10.299 1.00 0.00 C ATOM 0 H ALA A 32 -1.611 -2.013 8.751 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.402 -2.451 9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.515 -3.814 11.010 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.535 -4.084 9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.948 -2.991 10.826 1.00 0.00 H new ATOM 511 N GLN A 33 -3.431 -0.331 11.315 1.00 0.00 N ATOM 512 CA GLN A 33 -3.977 0.641 12.303 1.00 0.00 C ATOM 513 C GLN A 33 -4.965 1.724 11.741 1.00 0.00 C ATOM 514 O GLN A 33 -6.007 1.946 12.358 1.00 0.00 O ATOM 515 CB GLN A 33 -2.793 1.335 13.034 1.00 0.00 C ATOM 516 CG GLN A 33 -2.079 0.448 14.077 1.00 0.00 C ATOM 517 CD GLN A 33 -0.828 1.094 14.653 1.00 0.00 C ATOM 518 OE1 GLN A 33 -0.861 1.843 15.620 1.00 0.00 O ATOM 519 NE2 GLN A 33 0.319 0.837 14.081 1.00 0.00 N ATOM 0 H GLN A 33 -2.421 -0.265 11.190 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.590 0.047 12.980 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.064 1.660 12.292 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.164 2.232 13.531 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.771 0.223 14.888 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.810 -0.502 13.615 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.358 0.214 13.274 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.175 1.259 14.441 1.00 0.00 H new ATOM 528 N ARG A 34 -4.645 2.391 10.624 1.00 0.00 N ATOM 529 CA ARG A 34 -5.543 3.414 10.024 1.00 0.00 C ATOM 530 C ARG A 34 -6.758 2.833 9.204 1.00 0.00 C ATOM 531 O ARG A 34 -7.864 3.361 9.324 1.00 0.00 O ATOM 532 CB ARG A 34 -4.741 4.401 9.137 1.00 0.00 C ATOM 533 CG ARG A 34 -3.781 5.367 9.857 1.00 0.00 C ATOM 534 CD ARG A 34 -2.385 4.790 10.101 1.00 0.00 C ATOM 535 NE ARG A 34 -1.489 5.827 10.661 1.00 0.00 N ATOM 536 CZ ARG A 34 -1.196 5.999 11.939 1.00 0.00 C ATOM 537 NH1 ARG A 34 -1.686 5.287 12.911 1.00 0.00 N ATOM 538 NH2 ARG A 34 -0.368 6.942 12.230 1.00 0.00 N ATOM 0 H ARG A 34 -3.775 2.248 10.111 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.977 3.934 10.878 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.161 3.819 8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.452 4.995 8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.688 6.278 9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.218 5.651 10.814 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.448 3.946 10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.973 4.410 9.166 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.056 6.470 9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.345 4.535 12.710 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.411 5.481 13.874 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.031 7.517 11.488 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.111 7.113 13.202 1.00 0.00 H new ATOM 551 N LEU A 35 -6.550 1.801 8.376 1.00 0.00 N ATOM 552 CA LEU A 35 -7.628 1.212 7.534 1.00 0.00 C ATOM 553 C LEU A 35 -8.511 0.084 8.199 1.00 0.00 C ATOM 554 O LEU A 35 -9.614 -0.178 7.709 1.00 0.00 O ATOM 555 CB LEU A 35 -6.996 0.646 6.231 1.00 0.00 C ATOM 556 CG LEU A 35 -6.195 1.636 5.352 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.513 0.845 4.232 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.064 2.751 4.773 1.00 0.00 C ATOM 0 H LEU A 35 -5.644 1.347 8.263 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.318 2.037 7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.334 -0.176 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.795 0.223 5.623 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.453 2.130 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.943 1.526 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.841 0.105 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.269 0.340 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.448 3.414 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.849 2.316 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.516 3.319 5.586 1.00 0.00 H new ATOM 570 N GLY A 36 -8.030 -0.586 9.255 1.00 0.00 N ATOM 571 CA GLY A 36 -8.790 -1.644 9.959 1.00 0.00 C ATOM 572 C GLY A 36 -8.543 -3.097 9.520 1.00 0.00 C ATOM 573 O GLY A 36 -9.507 -3.837 9.313 1.00 0.00 O ATOM 0 H GLY A 36 -7.105 -0.415 9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.566 -1.570 11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.853 -1.432 9.842 1.00 0.00 H new ATOM 577 N PHE A 37 -7.277 -3.532 9.461 1.00 0.00 N ATOM 578 CA PHE A 37 -6.935 -4.959 9.236 1.00 0.00 C ATOM 579 C PHE A 37 -6.535 -5.606 10.603 1.00 0.00 C ATOM 580 O PHE A 37 -5.413 -5.429 11.081 1.00 0.00 O ATOM 581 CB PHE A 37 -5.793 -5.145 8.201 1.00 0.00 C ATOM 582 CG PHE A 37 -6.098 -4.679 6.772 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.933 -5.444 5.943 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.539 -3.498 6.258 1.00 0.00 C ATOM 585 CE1 PHE A 37 -7.204 -5.035 4.637 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.801 -3.097 4.946 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.629 -3.867 4.137 1.00 0.00 C ATOM 0 H PHE A 37 -6.466 -2.922 9.565 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.814 -5.453 8.822 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.915 -4.607 8.558 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.528 -6.202 8.168 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.370 -6.357 6.319 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.900 -2.893 6.884 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.860 -5.624 4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.361 -2.189 4.560 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.827 -3.560 3.121 1.00 0.00 H new ATOM 597 N ARG A 38 -7.450 -6.377 11.209 1.00 0.00 N ATOM 598 CA ARG A 38 -7.186 -7.071 12.513 1.00 0.00 C ATOM 599 C ARG A 38 -5.925 -8.011 12.571 1.00 0.00 C ATOM 600 O ARG A 38 -5.230 -8.032 13.588 1.00 0.00 O ATOM 601 CB ARG A 38 -8.503 -7.794 12.896 1.00 0.00 C ATOM 602 CG ARG A 38 -8.530 -8.378 14.323 1.00 0.00 C ATOM 603 CD ARG A 38 -9.874 -9.053 14.633 1.00 0.00 C ATOM 604 NE ARG A 38 -9.823 -9.684 15.972 1.00 0.00 N ATOM 605 CZ ARG A 38 -10.184 -9.126 17.116 1.00 0.00 C ATOM 606 NH1 ARG A 38 -10.628 -7.910 17.237 1.00 0.00 N ATOM 607 NH2 ARG A 38 -10.079 -9.845 18.181 1.00 0.00 N ATOM 0 H ARG A 38 -8.382 -6.546 10.831 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.905 -6.316 13.248 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.330 -7.092 12.790 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.678 -8.601 12.185 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.724 -9.103 14.435 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.346 -7.583 15.046 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.677 -8.317 14.598 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.097 -9.804 13.875 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.476 -10.642 16.016 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.718 -7.315 16.413 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.887 -7.551 18.156 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.730 -10.801 18.118 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.345 -9.458 19.086 1.00 0.00 H new ATOM 620 N SER A 39 -5.635 -8.744 11.487 1.00 0.00 N ATOM 621 CA SER A 39 -4.320 -9.402 11.302 1.00 0.00 C ATOM 622 C SER A 39 -3.455 -8.611 10.261 1.00 0.00 C ATOM 623 O SER A 39 -3.837 -8.600 9.084 1.00 0.00 O ATOM 624 CB SER A 39 -4.565 -10.856 10.830 1.00 0.00 C ATOM 625 OG SER A 39 -5.171 -11.631 11.863 1.00 0.00 O ATOM 0 H SER A 39 -6.290 -8.900 10.720 1.00 0.00 H new ATOM 0 HA SER A 39 -3.770 -9.412 12.243 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.206 -10.853 9.948 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.619 -11.311 10.535 1.00 0.00 H new ATOM 0 HG SER A 39 -5.318 -12.545 11.542 1.00 0.00 H new ATOM 631 N PRO A 40 -2.283 -8.002 10.597 1.00 0.00 N ATOM 632 CA PRO A 40 -1.372 -7.359 9.579 1.00 0.00 C ATOM 633 C PRO A 40 -0.887 -8.157 8.336 1.00 0.00 C ATOM 634 O PRO A 40 -0.504 -7.545 7.339 1.00 0.00 O ATOM 635 CB PRO A 40 -0.201 -6.852 10.460 1.00 0.00 C ATOM 636 CG PRO A 40 -0.870 -6.539 11.816 1.00 0.00 C ATOM 637 CD PRO A 40 -1.897 -7.672 11.988 1.00 0.00 C ATOM 0 HA PRO A 40 -1.942 -6.606 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.578 -7.607 10.563 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.268 -5.966 10.031 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.143 -6.531 12.628 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.351 -5.561 11.809 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.464 -8.532 12.499 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.756 -7.350 12.577 1.00 0.00 H new ATOM 645 N ASN A 41 -0.969 -9.496 8.342 1.00 0.00 N ATOM 646 CA ASN A 41 -0.822 -10.314 7.101 1.00 0.00 C ATOM 647 C ASN A 41 -1.927 -10.095 5.991 1.00 0.00 C ATOM 648 O ASN A 41 -1.616 -10.260 4.812 1.00 0.00 O ATOM 649 CB ASN A 41 -0.703 -11.794 7.533 1.00 0.00 C ATOM 650 CG ASN A 41 0.077 -12.688 6.581 1.00 0.00 C ATOM 651 OD1 ASN A 41 1.237 -13.008 6.806 1.00 0.00 O ATOM 652 ND2 ASN A 41 -0.509 -13.143 5.503 1.00 0.00 N ATOM 0 H ASN A 41 -1.136 -10.046 9.184 1.00 0.00 H new ATOM 0 HA ASN A 41 0.079 -9.975 6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.227 -11.832 8.513 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.707 -12.203 7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.000 -13.755 4.865 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.475 -12.886 5.301 1.00 0.00 H new ATOM 659 N ALA A 42 -3.166 -9.704 6.338 1.00 0.00 N ATOM 660 CA ALA A 42 -4.125 -9.122 5.355 1.00 0.00 C ATOM 661 C ALA A 42 -3.714 -7.746 4.713 1.00 0.00 C ATOM 662 O ALA A 42 -3.907 -7.565 3.509 1.00 0.00 O ATOM 663 CB ALA A 42 -5.484 -9.034 6.062 1.00 0.00 C ATOM 0 H ALA A 42 -3.535 -9.776 7.286 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.148 -9.782 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.222 -8.612 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.800 -10.031 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.396 -8.396 6.941 1.00 0.00 H new ATOM 669 N ALA A 43 -3.099 -6.830 5.483 1.00 0.00 N ATOM 670 CA ALA A 43 -2.360 -5.674 4.913 1.00 0.00 C ATOM 671 C ALA A 43 -1.153 -6.024 3.971 1.00 0.00 C ATOM 672 O ALA A 43 -1.062 -5.435 2.894 1.00 0.00 O ATOM 673 CB ALA A 43 -1.937 -4.787 6.091 1.00 0.00 C ATOM 0 H ALA A 43 -3.096 -6.862 6.502 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.034 -5.153 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.389 -3.922 5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.823 -4.450 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.298 -5.358 6.765 1.00 0.00 H new ATOM 679 N GLU A 44 -0.291 -7.002 4.321 1.00 0.00 N ATOM 680 CA GLU A 44 0.674 -7.609 3.358 1.00 0.00 C ATOM 681 C GLU A 44 0.043 -8.216 2.039 1.00 0.00 C ATOM 682 O GLU A 44 0.558 -7.943 0.956 1.00 0.00 O ATOM 683 CB GLU A 44 1.520 -8.732 4.016 1.00 0.00 C ATOM 684 CG GLU A 44 2.430 -8.318 5.180 1.00 0.00 C ATOM 685 CD GLU A 44 3.304 -9.466 5.671 1.00 0.00 C ATOM 686 OE1 GLU A 44 4.527 -9.476 5.591 1.00 0.00 O ATOM 687 OE2 GLU A 44 2.574 -10.473 6.219 1.00 0.00 O ATOM 0 H GLU A 44 -0.238 -7.393 5.261 1.00 0.00 H new ATOM 0 HA GLU A 44 1.285 -6.754 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.840 -9.505 4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.141 -9.187 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.065 -7.491 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.817 -7.953 6.004 1.00 0.00 H new ATOM 695 N GLU A 45 -1.037 -9.005 2.150 1.00 0.00 N ATOM 696 CA GLU A 45 -1.789 -9.545 0.982 1.00 0.00 C ATOM 697 C GLU A 45 -2.315 -8.486 -0.036 1.00 0.00 C ATOM 698 O GLU A 45 -2.056 -8.633 -1.233 1.00 0.00 O ATOM 699 CB GLU A 45 -2.898 -10.455 1.570 1.00 0.00 C ATOM 700 CG GLU A 45 -3.671 -11.290 0.531 1.00 0.00 C ATOM 701 CD GLU A 45 -4.707 -12.203 1.167 1.00 0.00 C ATOM 702 OE1 GLU A 45 -5.820 -11.833 1.526 1.00 0.00 O ATOM 703 OE2 GLU A 45 -4.259 -13.480 1.302 1.00 0.00 O ATOM 0 H GLU A 45 -1.423 -9.293 3.049 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.107 -10.110 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.446 -11.132 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.608 -9.832 2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.166 -10.620 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.966 -11.891 -0.043 1.00 0.00 H new ATOM 711 N HIS A 46 -2.993 -7.424 0.422 1.00 0.00 N ATOM 712 CA HIS A 46 -3.353 -6.279 -0.457 1.00 0.00 C ATOM 713 C HIS A 46 -2.161 -5.374 -0.919 1.00 0.00 C ATOM 714 O HIS A 46 -2.222 -4.911 -2.054 1.00 0.00 O ATOM 715 CB HIS A 46 -4.471 -5.431 0.183 1.00 0.00 C ATOM 716 CG HIS A 46 -5.822 -6.140 0.291 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.560 -6.602 -0.788 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.437 -6.497 1.494 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.577 -7.223 -0.114 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.593 -7.202 1.253 1.00 0.00 N ATOM 0 H HIS A 46 -3.306 -7.325 1.388 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.713 -6.742 -1.376 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.153 -5.127 1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.599 -4.520 -0.402 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.058 -6.253 2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.362 -7.726 -0.659 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.269 -7.596 1.907 1.00 0.00 H new ATOM 728 N LEU A 47 -1.091 -5.162 -0.129 1.00 0.00 N ATOM 729 CA LEU A 47 0.188 -4.585 -0.646 1.00 0.00 C ATOM 730 C LEU A 47 0.830 -5.388 -1.841 1.00 0.00 C ATOM 731 O LEU A 47 1.055 -4.786 -2.892 1.00 0.00 O ATOM 732 CB LEU A 47 1.210 -4.440 0.518 1.00 0.00 C ATOM 733 CG LEU A 47 1.017 -3.242 1.471 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.877 -3.448 2.734 1.00 0.00 C ATOM 735 CD2 LEU A 47 1.437 -1.916 0.821 1.00 0.00 C ATOM 0 H LEU A 47 -1.076 -5.377 0.868 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.067 -3.607 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.180 -5.354 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.209 -4.373 0.086 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.044 -3.191 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.742 -2.602 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.571 -4.365 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.927 -3.522 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.284 -1.100 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.490 -1.964 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.835 -1.741 -0.071 1.00 0.00 H new ATOM 747 N LYS A 48 1.092 -6.703 -1.716 1.00 0.00 N ATOM 748 CA LYS A 48 1.589 -7.526 -2.857 1.00 0.00 C ATOM 749 C LYS A 48 0.628 -7.680 -4.077 1.00 0.00 C ATOM 750 O LYS A 48 1.080 -7.505 -5.209 1.00 0.00 O ATOM 751 CB LYS A 48 2.194 -8.852 -2.349 1.00 0.00 C ATOM 752 CG LYS A 48 1.226 -9.923 -1.821 1.00 0.00 C ATOM 753 CD LYS A 48 2.007 -11.117 -1.244 1.00 0.00 C ATOM 754 CE LYS A 48 1.078 -12.235 -0.763 1.00 0.00 C ATOM 755 NZ LYS A 48 1.893 -13.364 -0.273 1.00 0.00 N ATOM 0 H LYS A 48 0.972 -7.223 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 48 2.391 -6.941 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.769 -9.292 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.899 -8.615 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.584 -9.494 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.575 -10.262 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.682 -11.509 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.625 -10.778 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.428 -11.868 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.432 -12.563 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.267 -14.127 0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.495 -13.718 -1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.491 -13.044 0.515 1.00 0.00 H new ATOM 768 N ALA A 49 -0.676 -7.933 -3.875 1.00 0.00 N ATOM 769 CA ALA A 49 -1.680 -7.871 -4.969 1.00 0.00 C ATOM 770 C ALA A 49 -1.839 -6.490 -5.695 1.00 0.00 C ATOM 771 O ALA A 49 -1.922 -6.467 -6.922 1.00 0.00 O ATOM 772 CB ALA A 49 -3.006 -8.372 -4.379 1.00 0.00 C ATOM 0 H ALA A 49 -1.067 -8.183 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.322 -8.504 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.779 -8.346 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.883 -9.395 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.299 -7.732 -3.547 1.00 0.00 H new ATOM 778 N LEU A 50 -1.853 -5.366 -4.966 1.00 0.00 N ATOM 779 CA LEU A 50 -1.725 -3.996 -5.562 1.00 0.00 C ATOM 780 C LEU A 50 -0.385 -3.697 -6.317 1.00 0.00 C ATOM 781 O LEU A 50 -0.430 -3.080 -7.383 1.00 0.00 O ATOM 782 CB LEU A 50 -2.069 -3.033 -4.403 1.00 0.00 C ATOM 783 CG LEU A 50 -2.284 -1.532 -4.645 1.00 0.00 C ATOM 784 CD1 LEU A 50 -0.973 -0.757 -4.694 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.147 -1.227 -5.863 1.00 0.00 C ATOM 0 H LEU A 50 -1.952 -5.362 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.413 -3.871 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.978 -3.412 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.270 -3.124 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.844 -1.186 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.181 0.299 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.446 -0.873 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.353 -1.142 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.255 -0.148 -5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.674 -1.635 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.130 -1.679 -5.735 1.00 0.00 H new ATOM 797 N ALA A 51 0.773 -4.174 -5.828 1.00 0.00 N ATOM 798 CA ALA A 51 2.030 -4.215 -6.623 1.00 0.00 C ATOM 799 C ALA A 51 1.983 -5.033 -7.963 1.00 0.00 C ATOM 800 O ALA A 51 2.388 -4.506 -8.999 1.00 0.00 O ATOM 801 CB ALA A 51 3.135 -4.738 -5.688 1.00 0.00 C ATOM 0 H ALA A 51 0.872 -4.540 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 51 2.221 -3.201 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.079 -4.785 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.239 -4.066 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.870 -5.734 -5.334 1.00 0.00 H new ATOM 807 N ARG A 52 1.458 -6.271 -7.952 1.00 0.00 N ATOM 808 CA ARG A 52 1.239 -7.071 -9.192 1.00 0.00 C ATOM 809 C ARG A 52 0.127 -6.540 -10.180 1.00 0.00 C ATOM 810 O ARG A 52 0.258 -6.762 -11.384 1.00 0.00 O ATOM 811 CB ARG A 52 0.984 -8.558 -8.823 1.00 0.00 C ATOM 812 CG ARG A 52 2.244 -9.410 -8.547 1.00 0.00 C ATOM 813 CD ARG A 52 2.899 -9.172 -7.187 1.00 0.00 C ATOM 814 NE ARG A 52 4.097 -10.035 -7.061 1.00 0.00 N ATOM 815 CZ ARG A 52 5.046 -9.895 -6.151 1.00 0.00 C ATOM 816 NH1 ARG A 52 5.057 -8.972 -5.233 1.00 0.00 N ATOM 817 NH2 ARG A 52 6.026 -10.731 -6.185 1.00 0.00 N ATOM 0 H ARG A 52 1.173 -6.750 -7.098 1.00 0.00 H new ATOM 0 HA ARG A 52 2.163 -6.962 -9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.347 -8.589 -7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.425 -9.023 -9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.976 -10.464 -8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.978 -9.209 -9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.180 -8.124 -7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.192 -9.392 -6.387 1.00 0.00 H new ATOM 0 HE ARG A 52 4.198 -10.798 -7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.297 -8.293 -5.183 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.825 -8.927 -4.564 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.047 -11.463 -6.895 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.780 -10.661 -5.502 1.00 0.00 H new ATOM 830 N LYS A 53 -0.901 -5.815 -9.710 1.00 0.00 N ATOM 831 CA LYS A 53 -1.729 -4.933 -10.585 1.00 0.00 C ATOM 832 C LYS A 53 -0.950 -3.771 -11.331 1.00 0.00 C ATOM 833 O LYS A 53 -1.327 -3.437 -12.455 1.00 0.00 O ATOM 834 CB LYS A 53 -2.876 -4.299 -9.746 1.00 0.00 C ATOM 835 CG LYS A 53 -3.974 -5.251 -9.244 1.00 0.00 C ATOM 836 CD LYS A 53 -5.032 -5.596 -10.303 1.00 0.00 C ATOM 837 CE LYS A 53 -6.061 -6.593 -9.752 1.00 0.00 C ATOM 838 NZ LYS A 53 -7.121 -6.807 -10.757 1.00 0.00 N ATOM 0 H LYS A 53 -1.188 -5.814 -8.731 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.099 -5.592 -11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.432 -3.806 -8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.348 -3.523 -10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.510 -6.173 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.469 -4.798 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.539 -4.686 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.546 -6.019 -11.183 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.575 -7.539 -9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.493 -6.213 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.820 -7.482 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.590 -5.902 -10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.701 -7.187 -11.629 1.00 0.00 H new ATOM 851 N GLY A 54 0.081 -3.172 -10.712 1.00 0.00 N ATOM 852 CA GLY A 54 0.956 -2.184 -11.392 1.00 0.00 C ATOM 853 C GLY A 54 1.564 -1.046 -10.549 1.00 0.00 C ATOM 854 O GLY A 54 2.672 -0.602 -10.851 1.00 0.00 O ATOM 0 H GLY A 54 0.335 -3.351 -9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.778 -2.730 -11.855 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.381 -1.730 -12.199 1.00 0.00 H new ATOM 858 N VAL A 55 0.823 -0.507 -9.577 1.00 0.00 N ATOM 859 CA VAL A 55 1.061 0.876 -9.061 1.00 0.00 C ATOM 860 C VAL A 55 1.985 1.077 -7.804 1.00 0.00 C ATOM 861 O VAL A 55 2.163 2.223 -7.379 1.00 0.00 O ATOM 862 CB VAL A 55 -0.285 1.671 -8.929 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.967 1.901 -10.291 1.00 0.00 C ATOM 864 CG2 VAL A 55 -1.305 1.080 -7.952 1.00 0.00 C ATOM 0 H VAL A 55 0.051 -0.993 -9.122 1.00 0.00 H new ATOM 0 HA VAL A 55 1.688 1.300 -9.846 1.00 0.00 H new ATOM 0 HB VAL A 55 0.036 2.623 -8.506 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.894 2.455 -10.145 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.302 2.471 -10.939 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.188 0.939 -10.754 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.198 1.705 -7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.573 0.073 -8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.871 1.041 -6.953 1.00 0.00 H new ATOM 874 N ILE A 56 2.628 0.030 -7.263 1.00 0.00 N ATOM 875 CA ILE A 56 3.721 0.192 -6.250 1.00 0.00 C ATOM 876 C ILE A 56 4.922 -0.809 -6.466 1.00 0.00 C ATOM 877 O ILE A 56 4.723 -1.975 -6.814 1.00 0.00 O ATOM 878 CB ILE A 56 3.259 0.175 -4.733 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.643 -1.165 -4.285 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.357 1.380 -4.402 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.336 -1.296 -2.794 1.00 0.00 C ATOM 0 H ILE A 56 2.422 -0.941 -7.499 1.00 0.00 H new ATOM 0 HA ILE A 56 4.071 1.206 -6.444 1.00 0.00 H new ATOM 0 HB ILE A 56 4.169 0.276 -4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.719 -1.321 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.324 -1.968 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.060 1.335 -3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.904 2.305 -4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.468 1.353 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.907 -2.278 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.256 -1.180 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.626 -0.523 -2.500 1.00 0.00 H new ATOM 893 N GLU A 57 6.154 -0.355 -6.179 1.00 0.00 N ATOM 894 CA GLU A 57 7.344 -1.255 -6.062 1.00 0.00 C ATOM 895 C GLU A 57 7.716 -1.414 -4.553 1.00 0.00 C ATOM 896 O GLU A 57 8.145 -0.446 -3.923 1.00 0.00 O ATOM 897 CB GLU A 57 8.501 -0.619 -6.875 1.00 0.00 C ATOM 898 CG GLU A 57 9.727 -1.498 -7.181 1.00 0.00 C ATOM 899 CD GLU A 57 10.624 -1.887 -6.017 1.00 0.00 C ATOM 900 OE1 GLU A 57 10.676 -3.028 -5.569 1.00 0.00 O ATOM 901 OE2 GLU A 57 11.360 -0.842 -5.538 1.00 0.00 O ATOM 0 H GLU A 57 6.365 0.630 -6.021 1.00 0.00 H new ATOM 0 HA GLU A 57 7.137 -2.249 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.093 -0.271 -7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.846 0.262 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.373 -2.415 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.339 -0.976 -7.917 1.00 0.00 H new ATOM 909 N ILE A 58 7.570 -2.617 -3.992 1.00 0.00 N ATOM 910 CA ILE A 58 7.923 -2.890 -2.562 1.00 0.00 C ATOM 911 C ILE A 58 9.375 -3.475 -2.501 1.00 0.00 C ATOM 912 O ILE A 58 9.618 -4.591 -2.978 1.00 0.00 O ATOM 913 CB ILE A 58 6.884 -3.884 -1.911 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.425 -3.347 -1.943 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.240 -4.207 -0.432 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.376 -4.456 -1.853 1.00 0.00 C ATOM 0 H ILE A 58 7.211 -3.430 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 58 7.886 -1.961 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 58 6.944 -4.786 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.282 -2.652 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.272 -2.784 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.500 -4.894 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.227 -4.667 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.243 -3.286 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.379 -4.017 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.495 -5.139 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.505 -5.004 -0.920 1.00 0.00 H new ATOM 928 N VAL A 59 10.309 -2.761 -1.850 1.00 0.00 N ATOM 929 CA VAL A 59 11.716 -3.249 -1.690 1.00 0.00 C ATOM 930 C VAL A 59 11.813 -4.528 -0.789 1.00 0.00 C ATOM 931 O VAL A 59 11.614 -4.491 0.431 1.00 0.00 O ATOM 932 CB VAL A 59 12.648 -2.068 -1.273 1.00 0.00 C ATOM 933 CG1 VAL A 59 12.533 -1.601 0.184 1.00 0.00 C ATOM 934 CG2 VAL A 59 14.133 -2.385 -1.559 1.00 0.00 C ATOM 0 H VAL A 59 10.131 -1.851 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 59 12.084 -3.599 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 59 12.287 -1.248 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.226 -0.778 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.515 -1.265 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.777 -2.428 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.750 -1.540 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.430 -3.271 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.267 -2.568 -2.625 1.00 0.00 H new ATOM 944 N SER A 60 12.078 -5.677 -1.421 1.00 0.00 N ATOM 945 CA SER A 60 11.992 -7.000 -0.747 1.00 0.00 C ATOM 946 C SER A 60 13.301 -7.349 0.021 1.00 0.00 C ATOM 947 O SER A 60 14.283 -7.833 -0.547 1.00 0.00 O ATOM 948 CB SER A 60 11.605 -8.041 -1.820 1.00 0.00 C ATOM 949 OG SER A 60 10.289 -7.790 -2.324 1.00 0.00 O ATOM 0 H SER A 60 12.355 -5.729 -2.401 1.00 0.00 H new ATOM 0 HA SER A 60 11.225 -6.990 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.324 -8.010 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.650 -9.043 -1.393 1.00 0.00 H new ATOM 0 HG SER A 60 10.066 -8.460 -3.003 1.00 0.00 H new ATOM 955 N GLY A 61 13.301 -7.032 1.320 1.00 0.00 N ATOM 956 CA GLY A 61 14.527 -7.043 2.155 1.00 0.00 C ATOM 957 C GLY A 61 14.513 -5.919 3.204 1.00 0.00 C ATOM 958 O GLY A 61 14.212 -6.166 4.372 1.00 0.00 O ATOM 0 H GLY A 61 12.460 -6.760 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.617 -8.007 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.403 -6.933 1.516 1.00 0.00 H new ATOM 962 N ALA A 62 14.791 -4.681 2.775 1.00 0.00 N ATOM 963 CA ALA A 62 14.686 -3.486 3.658 1.00 0.00 C ATOM 964 C ALA A 62 13.262 -3.035 4.154 1.00 0.00 C ATOM 965 O ALA A 62 13.182 -2.331 5.162 1.00 0.00 O ATOM 966 CB ALA A 62 15.414 -2.347 2.927 1.00 0.00 C ATOM 0 H ALA A 62 15.091 -4.469 1.824 1.00 0.00 H new ATOM 0 HA ALA A 62 15.140 -3.770 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.369 -1.440 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.456 -2.625 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.934 -2.167 1.965 1.00 0.00 H new ATOM 972 N SER A 63 12.173 -3.444 3.483 1.00 0.00 N ATOM 973 CA SER A 63 10.769 -3.244 3.943 1.00 0.00 C ATOM 974 C SER A 63 10.191 -1.815 3.738 1.00 0.00 C ATOM 975 O SER A 63 9.330 -1.637 2.871 1.00 0.00 O ATOM 976 CB SER A 63 10.465 -3.858 5.333 1.00 0.00 C ATOM 977 OG SER A 63 10.829 -5.238 5.382 1.00 0.00 O ATOM 0 H SER A 63 12.233 -3.932 2.589 1.00 0.00 H new ATOM 0 HA SER A 63 10.192 -3.843 3.239 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.008 -3.309 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.403 -3.752 5.555 1.00 0.00 H new ATOM 0 HG SER A 63 10.628 -5.598 6.271 1.00 0.00 H new ATOM 983 N ARG A 64 10.650 -0.799 4.494 1.00 0.00 N ATOM 984 CA ARG A 64 10.209 0.609 4.277 1.00 0.00 C ATOM 985 C ARG A 64 11.032 1.355 3.163 1.00 0.00 C ATOM 986 O ARG A 64 11.791 2.296 3.403 1.00 0.00 O ATOM 987 CB ARG A 64 10.145 1.383 5.626 1.00 0.00 C ATOM 988 CG ARG A 64 8.877 1.039 6.438 1.00 0.00 C ATOM 989 CD ARG A 64 8.519 2.075 7.507 1.00 0.00 C ATOM 990 NE ARG A 64 7.260 1.632 8.162 1.00 0.00 N ATOM 991 CZ ARG A 64 6.324 2.426 8.657 1.00 0.00 C ATOM 992 NH1 ARG A 64 6.352 3.725 8.616 1.00 0.00 N ATOM 993 NH2 ARG A 64 5.304 1.869 9.214 1.00 0.00 N ATOM 0 H ARG A 64 11.319 -0.916 5.255 1.00 0.00 H new ATOM 0 HA ARG A 64 9.194 0.573 3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.029 1.149 6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.168 2.455 5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.036 0.935 5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.018 0.071 6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.321 2.161 8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.390 3.060 7.057 1.00 0.00 H new ATOM 0 HE ARG A 64 7.104 0.627 8.236 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.138 4.205 8.177 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.588 4.265 9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.241 0.852 9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.560 2.445 9.608 1.00 0.00 H new ATOM 1006 N GLY A 65 10.756 0.952 1.923 1.00 0.00 N ATOM 1007 CA GLY A 65 11.147 1.690 0.702 1.00 0.00 C ATOM 1008 C GLY A 65 10.174 1.390 -0.452 1.00 0.00 C ATOM 1009 O GLY A 65 10.519 0.670 -1.389 1.00 0.00 O ATOM 0 H GLY A 65 10.247 0.091 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.157 2.761 0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 65 12.160 1.411 0.412 1.00 0.00 H new ATOM 1013 N ILE A 66 8.949 1.915 -0.345 1.00 0.00 N ATOM 1014 CA ILE A 66 7.828 1.549 -1.257 1.00 0.00 C ATOM 1015 C ILE A 66 7.598 2.740 -2.250 1.00 0.00 C ATOM 1016 O ILE A 66 7.208 3.839 -1.844 1.00 0.00 O ATOM 1017 CB ILE A 66 6.520 1.165 -0.464 1.00 0.00 C ATOM 1018 CG1 ILE A 66 6.732 0.022 0.573 1.00 0.00 C ATOM 1019 CG2 ILE A 66 5.404 0.723 -1.450 1.00 0.00 C ATOM 1020 CD1 ILE A 66 5.626 -0.078 1.630 1.00 0.00 C ATOM 0 H ILE A 66 8.694 2.601 0.366 1.00 0.00 H new ATOM 0 HA ILE A 66 8.091 0.655 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 66 6.234 2.063 0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.799 -0.928 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.687 0.175 1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.507 0.461 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.178 1.541 -2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.743 -0.143 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.849 -0.898 2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.572 0.856 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.670 -0.263 1.140 1.00 0.00 H new ATOM 1032 N ARG A 67 7.836 2.502 -3.544 1.00 0.00 N ATOM 1033 CA ARG A 67 7.680 3.538 -4.596 1.00 0.00 C ATOM 1034 C ARG A 67 6.182 3.707 -5.055 1.00 0.00 C ATOM 1035 O ARG A 67 5.453 2.718 -5.159 1.00 0.00 O ATOM 1036 CB ARG A 67 8.493 3.176 -5.875 1.00 0.00 C ATOM 1037 CG ARG A 67 9.972 2.789 -5.707 1.00 0.00 C ATOM 1038 CD ARG A 67 10.612 2.497 -7.078 1.00 0.00 C ATOM 1039 NE ARG A 67 11.830 1.683 -6.880 1.00 0.00 N ATOM 1040 CZ ARG A 67 12.659 1.294 -7.834 1.00 0.00 C ATOM 1041 NH1 ARG A 67 12.515 1.574 -9.096 1.00 0.00 N ATOM 1042 NH2 ARG A 67 13.672 0.580 -7.482 1.00 0.00 N ATOM 0 H ARG A 67 8.140 1.596 -3.900 1.00 0.00 H new ATOM 0 HA ARG A 67 8.043 4.461 -4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.986 2.348 -6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.446 4.029 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.511 3.596 -5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.054 1.911 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.906 1.967 -7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.861 3.430 -7.583 1.00 0.00 H new ATOM 0 HE ARG A 67 12.050 1.397 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.719 2.130 -9.407 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.198 1.237 -9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.808 0.337 -6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.338 0.258 -8.185 1.00 0.00 H new ATOM 1055 N LEU A 68 5.776 4.927 -5.420 1.00 0.00 N ATOM 1056 CA LEU A 68 4.477 5.164 -6.111 1.00 0.00 C ATOM 1057 C LEU A 68 4.680 5.124 -7.670 1.00 0.00 C ATOM 1058 O LEU A 68 5.228 6.060 -8.261 1.00 0.00 O ATOM 1059 CB LEU A 68 3.896 6.540 -5.681 1.00 0.00 C ATOM 1060 CG LEU A 68 3.504 6.693 -4.196 1.00 0.00 C ATOM 1061 CD1 LEU A 68 3.217 8.174 -3.896 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.280 5.858 -3.817 1.00 0.00 C ATOM 0 H LEU A 68 6.319 5.774 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 68 3.775 4.379 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.630 7.309 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.014 6.742 -6.288 1.00 0.00 H new ATOM 0 HG LEU A 68 4.342 6.329 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.940 8.286 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.109 8.766 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.399 8.521 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.051 6.006 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.427 6.169 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.488 4.804 -3.999 1.00 0.00 H new ATOM 1074 N LEU A 69 4.255 4.037 -8.320 1.00 0.00 N ATOM 1075 CA LEU A 69 4.389 3.871 -9.788 1.00 0.00 C ATOM 1076 C LEU A 69 3.087 4.359 -10.520 1.00 0.00 C ATOM 1077 O LEU A 69 2.165 3.587 -10.785 1.00 0.00 O ATOM 1078 CB LEU A 69 4.696 2.394 -10.134 1.00 0.00 C ATOM 1079 CG LEU A 69 6.008 1.772 -9.609 1.00 0.00 C ATOM 1080 CD1 LEU A 69 6.034 0.300 -10.061 1.00 0.00 C ATOM 1081 CD2 LEU A 69 7.265 2.475 -10.123 1.00 0.00 C ATOM 0 H LEU A 69 3.809 3.246 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 69 5.221 4.485 -10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.870 1.788 -9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.696 2.301 -11.220 1.00 0.00 H new ATOM 0 HG LEU A 69 6.020 1.876 -8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.950 -0.173 -9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.172 -0.223 -9.647 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.999 0.253 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.149 1.985 -9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.292 2.422 -11.211 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.251 3.519 -9.810 1.00 0.00 H new