USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 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 19 TYR OH : rot 180:sc= 0.973 USER MOD Set 1.2: A 23 LYS NZ :NH3+ -166:sc= 1.41 (180deg=0.254) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= -0.0487 (180deg=-0.347) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.09) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-2.1!) USER MOD Single : A 29 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0403) USER MOD Single : A 33 SER OG : rot -78:sc= 0.411 USER MOD Single : A 35 SER OG : rot 81:sc= 1.2 USER MOD Single : A 36 GLN : amide:sc=-0.00254 K(o=-0.0025,f=-1) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 9.826 -5.193 -2.278 1.00 0.00 N ATOM 35 CA VAL A 3 8.934 -4.341 -3.052 1.00 0.00 C ATOM 36 C VAL A 3 7.826 -5.102 -3.797 1.00 0.00 C ATOM 37 O VAL A 3 6.720 -4.581 -3.942 1.00 0.00 O ATOM 38 CB VAL A 3 9.687 -3.393 -4.030 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.599 -2.440 -3.269 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.478 -4.172 -5.069 1.00 0.00 C ATOM 0 HA VAL A 3 8.445 -3.728 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 3 8.935 -2.806 -4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 3 11.114 -1.788 -3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.004 -1.836 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.333 -3.013 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.990 -3.476 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.213 -4.803 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.799 -4.796 -5.650 1.00 0.00 H new ATOM 50 N THR A 4 8.077 -6.339 -4.231 1.00 0.00 N ATOM 51 CA THR A 4 7.040 -7.038 -4.971 1.00 0.00 C ATOM 52 C THR A 4 5.986 -7.563 -3.992 1.00 0.00 C ATOM 53 O THR A 4 4.810 -7.700 -4.344 1.00 0.00 O ATOM 54 CB THR A 4 7.575 -8.162 -5.943 1.00 0.00 C ATOM 55 OG1 THR A 4 6.596 -8.439 -6.967 1.00 0.00 O ATOM 56 CG2 THR A 4 7.874 -9.464 -5.220 1.00 0.00 C ATOM 0 H THR A 4 8.947 -6.852 -4.090 1.00 0.00 H new ATOM 0 HA THR A 4 6.580 -6.314 -5.644 1.00 0.00 H new ATOM 0 HB THR A 4 8.501 -7.781 -6.374 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.937 -9.136 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.238 -10.202 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.634 -9.291 -4.458 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.964 -9.835 -4.748 1.00 0.00 H new ATOM 64 N LYS A 5 6.411 -7.818 -2.750 1.00 0.00 N ATOM 65 CA LYS A 5 5.491 -8.198 -1.693 1.00 0.00 C ATOM 66 C LYS A 5 4.634 -6.994 -1.346 1.00 0.00 C ATOM 67 O LYS A 5 3.430 -7.111 -1.164 1.00 0.00 O ATOM 68 CB LYS A 5 6.235 -8.672 -0.441 1.00 0.00 C ATOM 69 CG LYS A 5 7.073 -9.932 -0.611 1.00 0.00 C ATOM 70 CD LYS A 5 6.227 -11.147 -0.957 1.00 0.00 C ATOM 71 CE LYS A 5 7.073 -12.416 -1.002 1.00 0.00 C ATOM 72 NZ LYS A 5 7.679 -12.731 0.316 1.00 0.00 N ATOM 0 H LYS A 5 7.388 -7.766 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 5 4.875 -9.025 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.887 -7.867 -0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.505 -8.847 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.811 -9.771 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.624 -10.126 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.433 -11.262 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.745 -10.994 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.453 -13.253 -1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.862 -12.299 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.011 -13.717 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.483 -12.094 0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.968 -12.603 1.064 1.00 0.00 H new ATOM 86 N LEU A 6 5.275 -5.829 -1.299 1.00 0.00 N ATOM 87 CA LEU A 6 4.590 -4.571 -1.039 1.00 0.00 C ATOM 88 C LEU A 6 3.528 -4.349 -2.111 1.00 0.00 C ATOM 89 O LEU A 6 2.363 -4.132 -1.800 1.00 0.00 O ATOM 90 CB LEU A 6 5.601 -3.412 -1.028 1.00 0.00 C ATOM 91 CG LEU A 6 5.061 -2.013 -0.691 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.391 -2.006 0.673 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.193 -0.997 -0.724 1.00 0.00 C ATOM 0 H LEU A 6 6.281 -5.733 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 6 4.108 -4.610 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.385 -3.654 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.072 -3.365 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 6 4.316 -1.742 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.017 -1.005 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.561 -2.712 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.114 -2.296 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.802 -0.008 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.952 -1.274 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.637 -0.980 -1.719 1.00 0.00 H new ATOM 105 N ASN A 7 3.946 -4.480 -3.373 1.00 0.00 N ATOM 106 CA ASN A 7 3.055 -4.341 -4.539 1.00 0.00 C ATOM 107 C ASN A 7 1.856 -5.291 -4.428 1.00 0.00 C ATOM 108 O ASN A 7 0.711 -4.917 -4.730 1.00 0.00 O ATOM 109 CB ASN A 7 3.825 -4.634 -5.844 1.00 0.00 C ATOM 110 CG ASN A 7 2.958 -4.510 -7.097 1.00 0.00 C ATOM 111 OD1 ASN A 7 2.317 -5.469 -7.526 1.00 0.00 O ATOM 112 ND2 ASN A 7 2.964 -3.357 -7.706 1.00 0.00 N ATOM 0 H ASN A 7 4.914 -4.686 -3.621 1.00 0.00 H new ATOM 0 HA ASN A 7 2.690 -3.314 -4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.667 -3.946 -5.923 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.239 -5.641 -5.795 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.427 -3.231 -8.564 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.506 -2.582 -7.325 1.00 0.00 H new ATOM 119 N ASP A 8 2.131 -6.499 -3.952 1.00 0.00 N ATOM 120 CA ASP A 8 1.122 -7.542 -3.773 1.00 0.00 C ATOM 121 C ASP A 8 0.103 -7.156 -2.718 1.00 0.00 C ATOM 122 O ASP A 8 -1.098 -7.279 -2.930 1.00 0.00 O ATOM 123 CB ASP A 8 1.779 -8.861 -3.389 1.00 0.00 C ATOM 124 CG ASP A 8 0.772 -9.923 -3.071 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.244 -10.573 -4.009 1.00 0.00 O ATOM 126 OD2 ASP A 8 0.497 -10.139 -1.890 1.00 0.00 O ATOM 0 H ASP A 8 3.070 -6.788 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 8 0.604 -7.659 -4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.416 -9.199 -4.207 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.425 -8.705 -2.525 1.00 0.00 H new ATOM 131 N ARG A 9 0.584 -6.683 -1.588 1.00 0.00 N ATOM 132 CA ARG A 9 -0.280 -6.241 -0.512 1.00 0.00 C ATOM 133 C ARG A 9 -1.131 -5.045 -0.929 1.00 0.00 C ATOM 134 O ARG A 9 -2.234 -4.850 -0.418 1.00 0.00 O ATOM 135 CB ARG A 9 0.528 -5.950 0.750 1.00 0.00 C ATOM 136 CG ARG A 9 0.832 -7.177 1.619 1.00 0.00 C ATOM 137 CD ARG A 9 1.522 -8.325 0.881 1.00 0.00 C ATOM 138 NE ARG A 9 1.887 -9.413 1.799 1.00 0.00 N ATOM 139 CZ ARG A 9 1.889 -10.727 1.514 1.00 0.00 C ATOM 140 NH1 ARG A 9 1.503 -11.172 0.322 1.00 0.00 N ATOM 141 NH2 ARG A 9 2.275 -11.595 2.444 1.00 0.00 N ATOM 0 H ARG A 9 1.580 -6.594 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.969 -7.054 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.471 -5.485 0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.016 -5.222 1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.462 -6.868 2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.102 -7.545 2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.861 -8.709 0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.417 -7.953 0.382 1.00 0.00 H new ATOM 0 HE ARG A 9 2.166 -9.146 2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.199 -10.513 -0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.511 -12.173 0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.566 -11.262 3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.280 -12.594 2.238 1.00 0.00 H new ATOM 155 N ILE A 10 -0.623 -4.254 -1.854 1.00 0.00 N ATOM 156 CA ILE A 10 -1.386 -3.154 -2.419 1.00 0.00 C ATOM 157 C ILE A 10 -2.482 -3.731 -3.308 1.00 0.00 C ATOM 158 O ILE A 10 -3.641 -3.346 -3.211 1.00 0.00 O ATOM 159 CB ILE A 10 -0.489 -2.218 -3.276 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.646 -1.671 -2.431 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.313 -1.066 -3.850 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.648 -0.848 -3.199 1.00 0.00 C ATOM 0 H ILE A 10 0.319 -4.352 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.807 -2.569 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.074 -2.795 -4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.227 -1.060 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.165 -2.504 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.669 -0.420 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.109 -1.466 -4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.749 -0.489 -3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.425 -0.496 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.098 -1.460 -3.981 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.146 0.007 -3.651 1.00 0.00 H new ATOM 174 N GLU A 11 -2.092 -4.692 -4.127 1.00 0.00 N ATOM 175 CA GLU A 11 -2.970 -5.366 -5.078 1.00 0.00 C ATOM 176 C GLU A 11 -4.148 -6.014 -4.357 1.00 0.00 C ATOM 177 O GLU A 11 -5.310 -5.843 -4.746 1.00 0.00 O ATOM 178 CB GLU A 11 -2.154 -6.412 -5.832 1.00 0.00 C ATOM 179 CG GLU A 11 -2.888 -7.141 -6.927 1.00 0.00 C ATOM 180 CD GLU A 11 -1.987 -8.106 -7.628 1.00 0.00 C ATOM 181 OE1 GLU A 11 -1.849 -9.264 -7.161 1.00 0.00 O ATOM 182 OE2 GLU A 11 -1.379 -7.735 -8.649 1.00 0.00 O ATOM 0 H GLU A 11 -1.132 -5.037 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.377 -4.641 -5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.282 -5.923 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.785 -7.145 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.740 -7.674 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.285 -6.422 -7.644 1.00 0.00 H new ATOM 189 N ALA A 12 -3.840 -6.715 -3.290 1.00 0.00 N ATOM 190 CA ALA A 12 -4.838 -7.371 -2.478 1.00 0.00 C ATOM 191 C ALA A 12 -5.749 -6.358 -1.798 1.00 0.00 C ATOM 192 O ALA A 12 -6.949 -6.589 -1.645 1.00 0.00 O ATOM 193 CB ALA A 12 -4.169 -8.251 -1.442 1.00 0.00 C ATOM 0 H ALA A 12 -2.884 -6.847 -2.959 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.452 -7.990 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.930 -8.741 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.563 -9.006 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.532 -7.640 -0.802 1.00 0.00 H new ATOM 199 N LYS A 13 -5.193 -5.209 -1.447 1.00 0.00 N ATOM 200 CA LYS A 13 -5.951 -4.205 -0.734 1.00 0.00 C ATOM 201 C LYS A 13 -6.887 -3.499 -1.704 1.00 0.00 C ATOM 202 O LYS A 13 -8.008 -3.170 -1.349 1.00 0.00 O ATOM 203 CB LYS A 13 -5.017 -3.235 0.022 1.00 0.00 C ATOM 204 CG LYS A 13 -5.711 -2.166 0.891 1.00 0.00 C ATOM 205 CD LYS A 13 -6.630 -2.762 1.969 1.00 0.00 C ATOM 206 CE LYS A 13 -5.899 -3.692 2.948 1.00 0.00 C ATOM 207 NZ LYS A 13 -4.820 -3.017 3.710 1.00 0.00 N ATOM 0 H LYS A 13 -4.225 -4.954 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.565 -4.680 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.357 -3.822 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.386 -2.728 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.952 -1.549 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.296 -1.508 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.095 -1.950 2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.434 -3.316 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.622 -4.109 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.473 -4.528 2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.471 -3.653 4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.039 -2.776 3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.192 -2.148 4.143 1.00 0.00 H new ATOM 221 N LYS A 14 -6.413 -3.285 -2.937 1.00 0.00 N ATOM 222 CA LYS A 14 -7.253 -2.795 -4.032 1.00 0.00 C ATOM 223 C LYS A 14 -8.492 -3.680 -4.181 1.00 0.00 C ATOM 224 O LYS A 14 -9.618 -3.196 -4.158 1.00 0.00 O ATOM 225 CB LYS A 14 -6.485 -2.828 -5.360 1.00 0.00 C ATOM 226 CG LYS A 14 -5.344 -1.844 -5.476 1.00 0.00 C ATOM 227 CD LYS A 14 -4.547 -2.111 -6.726 1.00 0.00 C ATOM 228 CE LYS A 14 -3.501 -1.041 -6.975 1.00 0.00 C ATOM 229 NZ LYS A 14 -2.671 -1.351 -8.154 1.00 0.00 N ATOM 0 H LYS A 14 -5.441 -3.446 -3.201 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.543 -1.771 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.091 -3.834 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.188 -2.640 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.733 -0.826 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.698 -1.921 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.059 -3.082 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.221 -2.164 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.992 -0.079 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.863 -0.945 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.968 -0.597 -8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.182 -2.257 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.276 -1.418 -8.997 1.00 0.00 H new ATOM 243 N LYS A 15 -8.263 -4.985 -4.298 1.00 0.00 N ATOM 244 CA LYS A 15 -9.341 -5.966 -4.475 1.00 0.00 C ATOM 245 C LYS A 15 -10.292 -5.988 -3.283 1.00 0.00 C ATOM 246 O LYS A 15 -11.521 -6.096 -3.450 1.00 0.00 O ATOM 247 CB LYS A 15 -8.766 -7.363 -4.716 1.00 0.00 C ATOM 248 CG LYS A 15 -7.969 -7.508 -6.012 1.00 0.00 C ATOM 249 CD LYS A 15 -8.832 -7.293 -7.264 1.00 0.00 C ATOM 250 CE LYS A 15 -9.963 -8.317 -7.362 1.00 0.00 C ATOM 251 NZ LYS A 15 -10.760 -8.157 -8.595 1.00 0.00 N ATOM 0 H LYS A 15 -7.330 -5.396 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.913 -5.661 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.122 -7.626 -3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.585 -8.082 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.150 -6.789 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.522 -8.501 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.253 -6.288 -7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.205 -7.360 -8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.543 -9.322 -7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.616 -8.218 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.514 -8.873 -8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.184 -7.207 -8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.144 -8.278 -9.424 1.00 0.00 H new ATOM 265 N GLU A 16 -9.730 -5.893 -2.097 1.00 0.00 N ATOM 266 CA GLU A 16 -10.507 -5.859 -0.874 1.00 0.00 C ATOM 267 C GLU A 16 -11.380 -4.607 -0.854 1.00 0.00 C ATOM 268 O GLU A 16 -12.575 -4.673 -0.553 1.00 0.00 O ATOM 269 CB GLU A 16 -9.564 -5.891 0.332 1.00 0.00 C ATOM 270 CG GLU A 16 -10.250 -5.945 1.683 1.00 0.00 C ATOM 271 CD GLU A 16 -9.265 -6.101 2.810 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.773 -5.103 3.327 1.00 0.00 O ATOM 273 OE2 GLU A 16 -8.959 -7.263 3.198 1.00 0.00 O ATOM 0 H GLU A 16 -8.722 -5.837 -1.952 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.159 -6.731 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.910 -6.758 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.928 -5.006 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.830 -5.034 1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.954 -6.777 1.699 1.00 0.00 H new ATOM 280 N LEU A 17 -10.782 -3.490 -1.240 1.00 0.00 N ATOM 281 CA LEU A 17 -11.451 -2.204 -1.288 1.00 0.00 C ATOM 282 C LEU A 17 -12.637 -2.284 -2.264 1.00 0.00 C ATOM 283 O LEU A 17 -13.739 -1.873 -1.928 1.00 0.00 O ATOM 284 CB LEU A 17 -10.421 -1.108 -1.703 1.00 0.00 C ATOM 285 CG LEU A 17 -10.763 0.384 -1.448 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.887 0.888 -2.318 1.00 0.00 C ATOM 287 CD2 LEU A 17 -11.095 0.606 0.009 1.00 0.00 C ATOM 0 H LEU A 17 -9.805 -3.454 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.847 -1.937 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.486 -1.324 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.230 -1.224 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.875 0.957 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.079 1.937 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.608 0.787 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.787 0.305 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.333 1.657 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.953 -0.007 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.239 0.328 0.624 1.00 0.00 H new ATOM 299 N ILE A 18 -12.403 -2.868 -3.448 1.00 0.00 N ATOM 300 CA ILE A 18 -13.453 -3.034 -4.481 1.00 0.00 C ATOM 301 C ILE A 18 -14.650 -3.800 -3.909 1.00 0.00 C ATOM 302 O ILE A 18 -15.804 -3.413 -4.094 1.00 0.00 O ATOM 303 CB ILE A 18 -12.919 -3.800 -5.736 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.736 -3.055 -6.353 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.030 -3.982 -6.775 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.096 -3.761 -7.532 1.00 0.00 C ATOM 0 H ILE A 18 -11.492 -3.237 -3.721 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.759 -2.033 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.583 -4.786 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.071 -2.069 -6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -10.979 -2.900 -5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.636 -4.517 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.848 -4.553 -6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.397 -3.005 -7.090 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.266 -3.163 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.726 -4.736 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.835 -3.892 -8.322 1.00 0.00 H new ATOM 318 N TYR A 19 -14.351 -4.859 -3.183 1.00 0.00 N ATOM 319 CA TYR A 19 -15.361 -5.702 -2.566 1.00 0.00 C ATOM 320 C TYR A 19 -16.190 -4.893 -1.555 1.00 0.00 C ATOM 321 O TYR A 19 -17.421 -5.023 -1.477 1.00 0.00 O ATOM 322 CB TYR A 19 -14.676 -6.899 -1.884 1.00 0.00 C ATOM 323 CG TYR A 19 -15.620 -7.863 -1.215 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.264 -8.846 -1.948 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.873 -7.786 0.149 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.137 -9.720 -1.346 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.740 -8.659 0.757 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.371 -9.622 0.005 1.00 0.00 C ATOM 329 OH TYR A 19 -18.260 -10.476 0.609 1.00 0.00 O ATOM 0 H TYR A 19 -13.394 -5.163 -3.002 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.042 -6.074 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.093 -7.440 -2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.973 -6.523 -1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.077 -8.927 -3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.380 -7.028 0.740 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.636 -10.479 -1.930 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.925 -8.590 1.819 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.309 -10.274 1.567 1.00 0.00 H new ATOM 339 N LEU A 20 -15.517 -4.039 -0.824 1.00 0.00 N ATOM 340 CA LEU A 20 -16.150 -3.216 0.185 1.00 0.00 C ATOM 341 C LEU A 20 -17.005 -2.115 -0.443 1.00 0.00 C ATOM 342 O LEU A 20 -18.028 -1.724 0.120 1.00 0.00 O ATOM 343 CB LEU A 20 -15.105 -2.645 1.135 1.00 0.00 C ATOM 344 CG LEU A 20 -14.272 -3.690 1.891 1.00 0.00 C ATOM 345 CD1 LEU A 20 -13.207 -3.022 2.724 1.00 0.00 C ATOM 346 CD2 LEU A 20 -15.157 -4.569 2.766 1.00 0.00 C ATOM 0 H LEU A 20 -14.511 -3.892 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.825 -3.846 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.429 -2.007 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.608 -2.008 1.863 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.786 -4.327 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.628 -3.781 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.546 -2.447 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.676 -2.355 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.540 -5.300 3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.681 -3.949 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.884 -5.089 2.142 1.00 0.00 H new ATOM 358 N VAL A 21 -16.602 -1.636 -1.614 1.00 0.00 N ATOM 359 CA VAL A 21 -17.381 -0.631 -2.352 1.00 0.00 C ATOM 360 C VAL A 21 -18.736 -1.224 -2.743 1.00 0.00 C ATOM 361 O VAL A 21 -19.764 -0.547 -2.705 1.00 0.00 O ATOM 362 CB VAL A 21 -16.647 -0.135 -3.643 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.483 0.893 -4.397 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.309 0.466 -3.299 1.00 0.00 C ATOM 0 H VAL A 21 -15.741 -1.923 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.510 0.228 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.499 -1.004 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.945 1.217 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.433 0.446 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.670 1.753 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.817 0.804 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.452 1.313 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.689 -0.284 -2.808 1.00 0.00 H new ATOM 374 N GLU A 22 -18.729 -2.493 -3.063 1.00 0.00 N ATOM 375 CA GLU A 22 -19.934 -3.191 -3.453 1.00 0.00 C ATOM 376 C GLU A 22 -20.902 -3.331 -2.272 1.00 0.00 C ATOM 377 O GLU A 22 -22.108 -3.118 -2.420 1.00 0.00 O ATOM 378 CB GLU A 22 -19.583 -4.558 -4.025 1.00 0.00 C ATOM 379 CG GLU A 22 -18.632 -4.490 -5.207 1.00 0.00 C ATOM 380 CD GLU A 22 -19.186 -3.699 -6.359 1.00 0.00 C ATOM 381 OE1 GLU A 22 -19.919 -4.268 -7.180 1.00 0.00 O ATOM 382 OE2 GLU A 22 -18.899 -2.502 -6.474 1.00 0.00 O ATOM 0 H GLU A 22 -17.890 -3.074 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.435 -2.604 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.134 -5.167 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.499 -5.061 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.692 -4.043 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.405 -5.502 -5.543 1.00 0.00 H new ATOM 389 N LYS A 23 -20.384 -3.682 -1.110 1.00 0.00 N ATOM 390 CA LYS A 23 -21.233 -3.849 0.072 1.00 0.00 C ATOM 391 C LYS A 23 -21.566 -2.559 0.824 1.00 0.00 C ATOM 392 O LYS A 23 -22.687 -2.400 1.316 1.00 0.00 O ATOM 393 CB LYS A 23 -20.704 -4.917 1.037 1.00 0.00 C ATOM 394 CG LYS A 23 -21.004 -6.338 0.597 1.00 0.00 C ATOM 395 CD LYS A 23 -20.585 -7.354 1.649 1.00 0.00 C ATOM 396 CE LYS A 23 -21.171 -8.738 1.359 1.00 0.00 C ATOM 397 NZ LYS A 23 -20.702 -9.315 0.080 1.00 0.00 N ATOM 0 H LYS A 23 -19.392 -3.857 -0.952 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.177 -4.197 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.625 -4.798 1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.139 -4.751 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -22.071 -6.440 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -20.484 -6.547 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.497 -7.418 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.914 -7.018 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.908 -9.414 2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.259 -8.668 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.301 -10.126 -0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.758 -8.594 -0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.716 -9.631 0.182 1.00 0.00 H new ATOM 411 N TYR A 24 -20.621 -1.660 0.934 1.00 0.00 N ATOM 412 CA TYR A 24 -20.815 -0.455 1.746 1.00 0.00 C ATOM 413 C TYR A 24 -20.995 0.793 0.915 1.00 0.00 C ATOM 414 O TYR A 24 -21.797 1.667 1.253 1.00 0.00 O ATOM 415 CB TYR A 24 -19.635 -0.256 2.696 1.00 0.00 C ATOM 416 CG TYR A 24 -19.457 -1.367 3.689 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.109 -1.334 4.908 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.643 -2.454 3.408 1.00 0.00 C ATOM 419 CE1 TYR A 24 -19.961 -2.353 5.815 1.00 0.00 C ATOM 420 CE2 TYR A 24 -18.489 -3.475 4.311 1.00 0.00 C ATOM 421 CZ TYR A 24 -19.150 -3.418 5.511 1.00 0.00 C ATOM 422 OH TYR A 24 -19.007 -4.434 6.410 1.00 0.00 O ATOM 0 H TYR A 24 -19.710 -1.726 0.480 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.734 -0.613 2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.722 -0.157 2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.770 0.681 3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.744 -0.494 5.150 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -18.122 -2.497 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -20.479 -2.317 6.762 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.853 -4.316 4.079 1.00 0.00 H new ATOM 0 HH TYR A 24 -18.401 -5.112 6.044 1.00 0.00 H new ATOM 432 N GLY A 25 -20.258 0.876 -0.152 1.00 0.00 N ATOM 433 CA GLY A 25 -20.279 2.056 -0.969 1.00 0.00 C ATOM 434 C GLY A 25 -19.006 2.835 -0.769 1.00 0.00 C ATOM 435 O GLY A 25 -18.388 2.745 0.286 1.00 0.00 O ATOM 0 H GLY A 25 -19.633 0.140 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.388 1.782 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.139 2.674 -0.710 1.00 0.00 H new ATOM 439 N PHE A 26 -18.618 3.610 -1.748 1.00 0.00 N ATOM 440 CA PHE A 26 -17.348 4.334 -1.697 1.00 0.00 C ATOM 441 C PHE A 26 -17.436 5.553 -0.764 1.00 0.00 C ATOM 442 O PHE A 26 -16.424 6.091 -0.318 1.00 0.00 O ATOM 443 CB PHE A 26 -16.912 4.739 -3.118 1.00 0.00 C ATOM 444 CG PHE A 26 -15.503 5.266 -3.215 1.00 0.00 C ATOM 445 CD1 PHE A 26 -14.424 4.404 -3.108 1.00 0.00 C ATOM 446 CD2 PHE A 26 -15.257 6.616 -3.406 1.00 0.00 C ATOM 447 CE1 PHE A 26 -13.131 4.876 -3.192 1.00 0.00 C ATOM 448 CE2 PHE A 26 -13.967 7.093 -3.490 1.00 0.00 C ATOM 449 CZ PHE A 26 -12.902 6.222 -3.381 1.00 0.00 C ATOM 0 H PHE A 26 -19.157 3.765 -2.600 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.588 3.671 -1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.008 3.874 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.597 5.500 -3.491 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.598 3.349 -2.957 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.086 7.303 -3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.299 4.192 -3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.789 8.148 -3.641 1.00 0.00 H new ATOM 0 HZ PHE A 26 -11.890 6.595 -3.444 1.00 0.00 H new ATOM 459 N THR A 27 -18.647 5.952 -0.446 1.00 0.00 N ATOM 460 CA THR A 27 -18.873 7.090 0.419 1.00 0.00 C ATOM 461 C THR A 27 -18.850 6.642 1.906 1.00 0.00 C ATOM 462 O THR A 27 -18.986 7.454 2.835 1.00 0.00 O ATOM 463 CB THR A 27 -20.234 7.723 0.068 1.00 0.00 C ATOM 464 OG1 THR A 27 -20.361 7.756 -1.370 1.00 0.00 O ATOM 465 CG2 THR A 27 -20.326 9.156 0.590 1.00 0.00 C ATOM 0 H THR A 27 -19.499 5.500 -0.777 1.00 0.00 H new ATOM 0 HA THR A 27 -18.083 7.827 0.273 1.00 0.00 H new ATOM 0 HB THR A 27 -21.025 7.131 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 27 -21.223 8.154 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 27 -21.297 9.577 0.328 1.00 0.00 H new ATOM 0 HG22 THR A 27 -20.211 9.156 1.674 1.00 0.00 H new ATOM 0 HG23 THR A 27 -19.536 9.758 0.141 1.00 0.00 H new ATOM 473 N HIS A 28 -18.672 5.352 2.122 1.00 0.00 N ATOM 474 CA HIS A 28 -18.632 4.811 3.455 1.00 0.00 C ATOM 475 C HIS A 28 -17.261 5.071 4.096 1.00 0.00 C ATOM 476 O HIS A 28 -16.226 4.873 3.463 1.00 0.00 O ATOM 477 CB HIS A 28 -18.999 3.316 3.450 1.00 0.00 C ATOM 478 CG HIS A 28 -18.933 2.663 4.796 1.00 0.00 C ATOM 479 ND1 HIS A 28 -19.838 2.876 5.805 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.012 1.822 5.298 1.00 0.00 C ATOM 481 CE1 HIS A 28 -19.447 2.181 6.865 1.00 0.00 C ATOM 482 NE2 HIS A 28 -18.335 1.519 6.608 1.00 0.00 N ATOM 0 H HIS A 28 -18.553 4.661 1.382 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.379 5.319 4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.008 3.202 3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.328 2.791 2.771 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -20.668 3.467 5.750 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.154 1.443 4.762 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -19.968 2.160 7.811 1.00 0.00 H new ATOM 490 N HIS A 29 -17.295 5.486 5.361 1.00 0.00 N ATOM 491 CA HIS A 29 -16.110 5.896 6.151 1.00 0.00 C ATOM 492 C HIS A 29 -14.967 4.886 6.079 1.00 0.00 C ATOM 493 O HIS A 29 -13.810 5.259 5.870 1.00 0.00 O ATOM 494 CB HIS A 29 -16.490 6.101 7.626 1.00 0.00 C ATOM 495 CG HIS A 29 -17.630 7.047 7.853 1.00 0.00 C ATOM 496 ND1 HIS A 29 -18.743 6.729 8.596 1.00 0.00 N ATOM 497 CD2 HIS A 29 -17.814 8.323 7.432 1.00 0.00 C ATOM 498 CE1 HIS A 29 -19.551 7.776 8.605 1.00 0.00 C ATOM 499 NE2 HIS A 29 -19.038 8.784 7.910 1.00 0.00 N ATOM 0 H HIS A 29 -18.165 5.552 5.889 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.763 6.831 5.710 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.746 5.134 8.059 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -15.617 6.470 8.164 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -17.124 8.889 6.825 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.504 7.807 9.112 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -19.453 9.703 7.758 1.00 0.00 H new ATOM 507 N LYS A 30 -15.285 3.609 6.250 1.00 0.00 N ATOM 508 CA LYS A 30 -14.262 2.567 6.220 1.00 0.00 C ATOM 509 C LYS A 30 -13.632 2.461 4.841 1.00 0.00 C ATOM 510 O LYS A 30 -12.428 2.354 4.720 1.00 0.00 O ATOM 511 CB LYS A 30 -14.815 1.211 6.671 1.00 0.00 C ATOM 512 CG LYS A 30 -15.307 1.187 8.111 1.00 0.00 C ATOM 513 CD LYS A 30 -15.903 -0.165 8.467 1.00 0.00 C ATOM 514 CE LYS A 30 -16.405 -0.208 9.907 1.00 0.00 C ATOM 515 NZ LYS A 30 -15.307 -0.083 10.901 1.00 0.00 N ATOM 0 H LYS A 30 -16.234 3.270 6.410 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.487 2.856 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.637 0.929 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.038 0.456 6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.480 1.411 8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.055 1.966 8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.727 -0.388 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.152 -0.942 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.123 0.598 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.936 -1.145 10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.685 -0.237 11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.574 -0.793 10.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.892 0.869 10.842 1.00 0.00 H new ATOM 529 N VAL A 31 -14.442 2.570 3.814 1.00 0.00 N ATOM 530 CA VAL A 31 -13.957 2.471 2.450 1.00 0.00 C ATOM 531 C VAL A 31 -13.055 3.672 2.132 1.00 0.00 C ATOM 532 O VAL A 31 -12.009 3.528 1.487 1.00 0.00 O ATOM 533 CB VAL A 31 -15.130 2.365 1.439 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.621 2.243 0.013 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.010 1.174 1.782 1.00 0.00 C ATOM 0 H VAL A 31 -15.446 2.728 3.894 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.370 1.557 2.355 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.719 3.280 1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.467 2.171 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.026 3.121 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.004 1.349 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.830 1.109 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.418 0.260 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.414 1.298 2.787 1.00 0.00 H new ATOM 545 N ILE A 32 -13.436 4.838 2.634 1.00 0.00 N ATOM 546 CA ILE A 32 -12.633 6.047 2.485 1.00 0.00 C ATOM 547 C ILE A 32 -11.275 5.869 3.193 1.00 0.00 C ATOM 548 O ILE A 32 -10.214 6.077 2.592 1.00 0.00 O ATOM 549 CB ILE A 32 -13.370 7.294 3.060 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.701 7.515 2.318 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.484 8.542 2.964 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.534 8.665 2.854 1.00 0.00 C ATOM 0 H ILE A 32 -14.304 4.974 3.153 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.470 6.212 1.420 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.585 7.113 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.490 7.696 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.290 6.599 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.019 9.400 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.568 8.382 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.235 8.732 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.453 8.750 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.780 8.480 3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.968 9.593 2.774 1.00 0.00 H new ATOM 564 N SER A 33 -11.317 5.422 4.438 1.00 0.00 N ATOM 565 CA SER A 33 -10.110 5.221 5.225 1.00 0.00 C ATOM 566 C SER A 33 -9.201 4.115 4.646 1.00 0.00 C ATOM 567 O SER A 33 -7.966 4.240 4.665 1.00 0.00 O ATOM 568 CB SER A 33 -10.456 4.998 6.704 1.00 0.00 C ATOM 569 OG SER A 33 -11.514 4.069 6.847 1.00 0.00 O ATOM 0 H SER A 33 -12.181 5.190 4.929 1.00 0.00 H new ATOM 0 HA SER A 33 -9.520 6.136 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.576 4.636 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.737 5.947 7.162 1.00 0.00 H new ATOM 0 HG SER A 33 -12.366 4.510 6.645 1.00 0.00 H new ATOM 575 N PHE A 34 -9.794 3.051 4.103 1.00 0.00 N ATOM 576 CA PHE A 34 -8.996 2.017 3.455 1.00 0.00 C ATOM 577 C PHE A 34 -8.390 2.545 2.167 1.00 0.00 C ATOM 578 O PHE A 34 -7.289 2.168 1.805 1.00 0.00 O ATOM 579 CB PHE A 34 -9.769 0.725 3.178 1.00 0.00 C ATOM 580 CG PHE A 34 -10.252 -0.017 4.386 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.422 -0.238 5.471 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.545 -0.490 4.432 1.00 0.00 C ATOM 583 CE1 PHE A 34 -9.880 -0.922 6.578 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.011 -1.172 5.534 1.00 0.00 C ATOM 585 CZ PHE A 34 -11.178 -1.389 6.610 1.00 0.00 C ATOM 0 H PHE A 34 -10.801 2.886 4.099 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.207 1.760 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.630 0.966 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.131 0.059 2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.406 0.128 5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.203 -0.324 3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.223 -1.092 7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.028 -1.536 5.555 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.540 -1.923 7.476 1.00 0.00 H new ATOM 595 N SER A 35 -9.097 3.442 1.491 1.00 0.00 N ATOM 596 CA SER A 35 -8.571 4.067 0.293 1.00 0.00 C ATOM 597 C SER A 35 -7.346 4.924 0.633 1.00 0.00 C ATOM 598 O SER A 35 -6.376 4.950 -0.122 1.00 0.00 O ATOM 599 CB SER A 35 -9.647 4.894 -0.417 1.00 0.00 C ATOM 600 OG SER A 35 -10.715 4.060 -0.852 1.00 0.00 O ATOM 0 H SER A 35 -10.033 3.750 1.754 1.00 0.00 H new ATOM 0 HA SER A 35 -8.258 3.281 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.029 5.660 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.211 5.411 -1.272 1.00 0.00 H new ATOM 0 HG SER A 35 -11.314 3.876 -0.099 1.00 0.00 H new ATOM 606 N GLN A 36 -7.379 5.585 1.792 1.00 0.00 N ATOM 607 CA GLN A 36 -6.240 6.384 2.255 1.00 0.00 C ATOM 608 C GLN A 36 -5.064 5.463 2.565 1.00 0.00 C ATOM 609 O GLN A 36 -3.906 5.788 2.307 1.00 0.00 O ATOM 610 CB GLN A 36 -6.596 7.154 3.519 1.00 0.00 C ATOM 611 CG GLN A 36 -7.776 8.096 3.391 1.00 0.00 C ATOM 612 CD GLN A 36 -8.067 8.785 4.702 1.00 0.00 C ATOM 613 OE1 GLN A 36 -7.805 8.233 5.772 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.606 9.968 4.648 1.00 0.00 N ATOM 0 H GLN A 36 -8.178 5.584 2.426 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.977 7.090 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.808 6.438 4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.725 7.729 3.832 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.568 8.841 2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.655 7.540 3.066 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.809 10.395 3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.825 10.468 5.509 1.00 0.00 H new ATOM 623 N GLU A 37 -5.384 4.308 3.111 1.00 0.00 N ATOM 624 CA GLU A 37 -4.401 3.296 3.461 1.00 0.00 C ATOM 625 C GLU A 37 -3.788 2.696 2.191 1.00 0.00 C ATOM 626 O GLU A 37 -2.581 2.494 2.103 1.00 0.00 O ATOM 627 CB GLU A 37 -5.078 2.220 4.307 1.00 0.00 C ATOM 628 CG GLU A 37 -4.169 1.117 4.802 1.00 0.00 C ATOM 629 CD GLU A 37 -4.909 0.145 5.675 1.00 0.00 C ATOM 630 OE1 GLU A 37 -5.029 0.405 6.890 1.00 0.00 O ATOM 631 OE2 GLU A 37 -5.386 -0.887 5.170 1.00 0.00 O ATOM 0 H GLU A 37 -6.344 4.040 3.328 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.593 3.745 4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.543 2.699 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.880 1.771 3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.739 0.589 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.339 1.551 5.360 1.00 0.00 H new ATOM 638 N LEU A 38 -4.633 2.444 1.212 1.00 0.00 N ATOM 639 CA LEU A 38 -4.218 1.918 -0.080 1.00 0.00 C ATOM 640 C LEU A 38 -3.301 2.938 -0.764 1.00 0.00 C ATOM 641 O LEU A 38 -2.255 2.587 -1.320 1.00 0.00 O ATOM 642 CB LEU A 38 -5.473 1.627 -0.922 1.00 0.00 C ATOM 643 CG LEU A 38 -5.289 0.922 -2.268 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.563 -0.381 -2.084 1.00 0.00 C ATOM 645 CD2 LEU A 38 -6.649 0.677 -2.900 1.00 0.00 C ATOM 0 H LEU A 38 -5.638 2.599 1.288 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.661 0.989 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.147 1.021 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.977 2.575 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.693 1.557 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.441 -0.869 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.583 -0.193 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.138 -1.028 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.520 0.175 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.249 0.050 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.155 1.630 -3.055 1.00 0.00 H new ATOM 657 N ASP A 39 -3.688 4.202 -0.648 1.00 0.00 N ATOM 658 CA ASP A 39 -2.912 5.340 -1.149 1.00 0.00 C ATOM 659 C ASP A 39 -1.553 5.400 -0.472 1.00 0.00 C ATOM 660 O ASP A 39 -0.554 5.648 -1.117 1.00 0.00 O ATOM 661 CB ASP A 39 -3.684 6.651 -0.910 1.00 0.00 C ATOM 662 CG ASP A 39 -2.876 7.907 -1.170 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.753 8.337 -2.341 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.399 8.523 -0.195 1.00 0.00 O ATOM 0 H ASP A 39 -4.562 4.474 -0.197 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.757 5.210 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.566 6.661 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.038 6.668 0.121 1.00 0.00 H new ATOM 669 N ARG A 40 -1.533 5.128 0.826 1.00 0.00 N ATOM 670 CA ARG A 40 -0.307 5.124 1.625 1.00 0.00 C ATOM 671 C ARG A 40 0.710 4.107 1.084 1.00 0.00 C ATOM 672 O ARG A 40 1.889 4.425 0.917 1.00 0.00 O ATOM 673 CB ARG A 40 -0.632 4.823 3.093 1.00 0.00 C ATOM 674 CG ARG A 40 0.580 4.762 4.016 1.00 0.00 C ATOM 675 CD ARG A 40 0.172 4.384 5.432 1.00 0.00 C ATOM 676 NE ARG A 40 -0.726 5.379 6.034 1.00 0.00 N ATOM 677 CZ ARG A 40 -1.865 5.104 6.694 1.00 0.00 C ATOM 678 NH1 ARG A 40 -2.260 3.847 6.868 1.00 0.00 N ATOM 679 NH2 ARG A 40 -2.604 6.087 7.194 1.00 0.00 N ATOM 0 H ARG A 40 -2.371 4.902 1.361 1.00 0.00 H new ATOM 0 HA ARG A 40 0.142 6.115 1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.315 5.587 3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.160 3.871 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.296 4.034 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.083 5.729 4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.321 3.412 5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.064 4.281 6.050 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.464 6.361 5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.698 3.080 6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.126 3.649 7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.309 7.056 7.078 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.467 5.873 7.694 1.00 0.00 H new ATOM 693 N LEU A 41 0.257 2.899 0.793 1.00 0.00 N ATOM 694 CA LEU A 41 1.160 1.889 0.255 1.00 0.00 C ATOM 695 C LEU A 41 1.550 2.194 -1.180 1.00 0.00 C ATOM 696 O LEU A 41 2.673 1.918 -1.593 1.00 0.00 O ATOM 697 CB LEU A 41 0.626 0.460 0.364 1.00 0.00 C ATOM 698 CG LEU A 41 0.680 -0.236 1.734 1.00 0.00 C ATOM 699 CD1 LEU A 41 -0.244 0.407 2.756 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.371 -1.713 1.566 1.00 0.00 C ATOM 0 H LEU A 41 -0.709 2.595 0.916 1.00 0.00 H new ATOM 0 HA LEU A 41 2.048 1.940 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.413 0.468 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.179 -0.157 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 41 1.690 -0.120 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.165 -0.125 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.042 1.449 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.272 0.359 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.410 -2.206 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.625 -1.830 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.106 -2.165 0.901 1.00 0.00 H new ATOM 712 N LEU A 42 0.630 2.771 -1.930 1.00 0.00 N ATOM 713 CA LEU A 42 0.897 3.172 -3.307 1.00 0.00 C ATOM 714 C LEU A 42 1.967 4.276 -3.284 1.00 0.00 C ATOM 715 O LEU A 42 2.893 4.299 -4.110 1.00 0.00 O ATOM 716 CB LEU A 42 -0.432 3.651 -3.955 1.00 0.00 C ATOM 717 CG LEU A 42 -0.479 3.891 -5.486 1.00 0.00 C ATOM 718 CD1 LEU A 42 -1.920 4.041 -5.924 1.00 0.00 C ATOM 719 CD2 LEU A 42 0.288 5.142 -5.896 1.00 0.00 C ATOM 0 H LEU A 42 -0.317 2.975 -1.610 1.00 0.00 H new ATOM 0 HA LEU A 42 1.275 2.343 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.199 2.915 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.719 4.583 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.010 3.033 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.957 4.210 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.471 3.133 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.371 4.889 -5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.227 5.269 -6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.146 6.012 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.333 5.041 -5.601 1.00 0.00 H new ATOM 731 N ASN A 43 1.832 5.161 -2.312 1.00 0.00 N ATOM 732 CA ASN A 43 2.764 6.239 -2.062 1.00 0.00 C ATOM 733 C ASN A 43 4.140 5.696 -1.750 1.00 0.00 C ATOM 734 O ASN A 43 5.133 6.255 -2.193 1.00 0.00 O ATOM 735 CB ASN A 43 2.280 7.083 -0.889 1.00 0.00 C ATOM 736 CG ASN A 43 3.184 8.251 -0.587 1.00 0.00 C ATOM 737 OD1 ASN A 43 4.129 8.148 0.197 1.00 0.00 O ATOM 738 ND2 ASN A 43 2.907 9.351 -1.199 1.00 0.00 N ATOM 0 H ASN A 43 1.049 5.147 -1.659 1.00 0.00 H new ATOM 0 HA ASN A 43 2.822 6.854 -2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.278 7.453 -1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.203 6.453 -0.003 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.480 10.180 -1.042 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.115 9.392 -1.840 1.00 0.00 H new ATOM 745 N LEU A 44 4.183 4.591 -0.996 1.00 0.00 N ATOM 746 CA LEU A 44 5.434 3.920 -0.631 1.00 0.00 C ATOM 747 C LEU A 44 6.243 3.548 -1.854 1.00 0.00 C ATOM 748 O LEU A 44 7.457 3.722 -1.864 1.00 0.00 O ATOM 749 CB LEU A 44 5.180 2.670 0.229 1.00 0.00 C ATOM 750 CG LEU A 44 4.732 2.911 1.673 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.383 1.596 2.340 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.840 3.596 2.459 1.00 0.00 C ATOM 0 H LEU A 44 3.350 4.137 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 44 6.008 4.633 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.421 2.064 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.096 2.079 0.250 1.00 0.00 H new ATOM 0 HG LEU A 44 3.851 3.552 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.066 1.781 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.574 1.113 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.258 0.946 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.510 3.762 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.728 2.964 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.077 4.553 1.995 1.00 0.00 H new ATOM 764 N LEU A 45 5.566 3.071 -2.893 1.00 0.00 N ATOM 765 CA LEU A 45 6.234 2.720 -4.141 1.00 0.00 C ATOM 766 C LEU A 45 6.981 3.929 -4.680 1.00 0.00 C ATOM 767 O LEU A 45 8.165 3.857 -4.974 1.00 0.00 O ATOM 768 CB LEU A 45 5.224 2.239 -5.190 1.00 0.00 C ATOM 769 CG LEU A 45 4.394 1.002 -4.841 1.00 0.00 C ATOM 770 CD1 LEU A 45 3.426 0.689 -5.972 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.293 -0.199 -4.561 1.00 0.00 C ATOM 0 H LEU A 45 4.557 2.919 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 45 6.935 1.910 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.537 3.059 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.766 2.033 -6.113 1.00 0.00 H new ATOM 0 HG LEU A 45 3.825 1.214 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.839 -0.193 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.758 1.537 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.986 0.498 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.678 -1.065 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.892 -0.419 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.952 0.027 -3.723 1.00 0.00 H new ATOM 783 N ILE A 46 6.291 5.048 -4.722 1.00 0.00 N ATOM 784 CA ILE A 46 6.850 6.282 -5.238 1.00 0.00 C ATOM 785 C ILE A 46 7.930 6.820 -4.294 1.00 0.00 C ATOM 786 O ILE A 46 9.003 7.223 -4.733 1.00 0.00 O ATOM 787 CB ILE A 46 5.747 7.359 -5.429 1.00 0.00 C ATOM 788 CG1 ILE A 46 4.630 6.815 -6.335 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.346 8.637 -6.023 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.452 7.749 -6.511 1.00 0.00 C ATOM 0 H ILE A 46 5.327 5.130 -4.400 1.00 0.00 H new ATOM 0 HA ILE A 46 7.296 6.061 -6.208 1.00 0.00 H new ATOM 0 HB ILE A 46 5.320 7.601 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.051 6.593 -7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.271 5.872 -5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.560 9.382 -6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.110 9.027 -5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.794 8.413 -6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.714 7.284 -7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.001 7.952 -5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.792 8.684 -6.956 1.00 0.00 H new ATOM 802 N GLU A 47 7.647 6.780 -3.009 1.00 0.00 N ATOM 803 CA GLU A 47 8.531 7.310 -1.993 1.00 0.00 C ATOM 804 C GLU A 47 9.866 6.587 -1.962 1.00 0.00 C ATOM 805 O GLU A 47 10.913 7.216 -2.030 1.00 0.00 O ATOM 806 CB GLU A 47 7.855 7.307 -0.617 1.00 0.00 C ATOM 807 CG GLU A 47 8.742 7.799 0.510 1.00 0.00 C ATOM 808 CD GLU A 47 7.992 7.999 1.792 1.00 0.00 C ATOM 809 OE1 GLU A 47 7.581 7.008 2.430 1.00 0.00 O ATOM 810 OE2 GLU A 47 7.805 9.168 2.205 1.00 0.00 O ATOM 0 H GLU A 47 6.788 6.375 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 47 8.743 8.346 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.962 7.931 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.524 6.294 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.547 7.082 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.208 8.740 0.216 1.00 0.00 H new