USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 47 CYS SG : rot 180:sc= -0.124 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 179:sc= -0.876 (180deg=-0.97) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.2!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.829 K(o=-0.83,f=-3.8!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -63:sc= 1.25 USER MOD Single : A 35 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.1) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -70:sc= -5.23! USER MOD Single : A 44 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.9) USER MOD Single : A 46 ASN : amide:sc= -3.39! C(o=-3.4!,f=-9!) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= -1.69 (180deg=-3.07!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.309 -12.762 7.992 1.00 0.00 N ATOM 2 CA ARG A 1 -4.728 -11.681 8.867 1.00 0.00 C ATOM 3 C ARG A 1 -5.249 -12.242 10.192 1.00 0.00 C ATOM 4 O ARG A 1 -5.289 -11.533 11.197 1.00 0.00 O ATOM 5 CB ARG A 1 -5.822 -10.835 8.214 1.00 0.00 C ATOM 6 CG ARG A 1 -6.706 -11.690 7.304 1.00 0.00 C ATOM 7 CD ARG A 1 -7.987 -10.944 6.926 1.00 0.00 C ATOM 8 NE ARG A 1 -7.798 -10.235 5.640 1.00 0.00 N ATOM 9 CZ ARG A 1 -7.677 -10.848 4.455 1.00 0.00 C ATOM 10 NH1 ARG A 1 -7.723 -12.185 4.384 1.00 0.00 N ATOM 11 NH2 ARG A 1 -7.509 -10.122 3.340 1.00 0.00 N ATOM 0 H1 ARG A 1 -3.973 -12.368 7.090 1.00 0.00 H new ATOM 0 H2 ARG A 1 -3.540 -13.296 8.444 1.00 0.00 H new ATOM 0 H3 ARG A 1 -5.114 -13.397 7.815 1.00 0.00 H new ATOM 0 HA ARG A 1 -3.859 -11.050 9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.433 -10.366 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -5.368 -10.031 7.635 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.156 -11.955 6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -6.959 -12.622 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.817 -11.646 6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.248 -10.232 7.709 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.757 -9.216 5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -7.850 -12.737 5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -7.631 -12.651 3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -7.473 -9.104 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -7.417 -10.588 2.437 1.00 0.00 H new ATOM 22 N ILE A 2 -5.635 -13.508 10.151 1.00 0.00 N ATOM 23 CA ILE A 2 -6.153 -14.172 11.335 1.00 0.00 C ATOM 24 C ILE A 2 -5.262 -15.369 11.674 1.00 0.00 C ATOM 25 O ILE A 2 -5.755 -16.416 12.090 1.00 0.00 O ATOM 26 CB ILE A 2 -7.626 -14.536 11.145 1.00 0.00 C ATOM 27 CG1 ILE A 2 -8.450 -13.304 10.763 1.00 0.00 C ATOM 28 CG2 ILE A 2 -8.182 -15.236 12.387 1.00 0.00 C ATOM 29 CD1 ILE A 2 -8.725 -12.428 11.987 1.00 0.00 C ATOM 0 H ILE A 2 -5.600 -14.092 9.316 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.124 -13.499 12.192 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.700 -15.242 10.318 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.917 -12.725 10.009 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.393 -13.617 10.316 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.231 -15.484 12.226 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.617 -16.150 12.573 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -8.094 -14.573 13.248 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.312 -11.559 11.688 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.279 -13.003 12.729 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.780 -12.097 12.417 1.00 0.00 H new ATOM 40 N TYR A 3 -3.965 -15.174 11.482 1.00 0.00 N ATOM 41 CA TYR A 3 -3.001 -16.225 11.762 1.00 0.00 C ATOM 42 C TYR A 3 -1.804 -15.677 12.541 1.00 0.00 C ATOM 43 O TYR A 3 -1.343 -16.300 13.495 1.00 0.00 O ATOM 44 CB TYR A 3 -2.521 -16.730 10.399 1.00 0.00 C ATOM 45 CG TYR A 3 -2.937 -18.169 10.087 1.00 0.00 C ATOM 46 CD1 TYR A 3 -2.595 -19.189 10.950 1.00 0.00 C ATOM 47 CD2 TYR A 3 -3.655 -18.445 8.942 1.00 0.00 C ATOM 48 CE1 TYR A 3 -2.987 -20.543 10.656 1.00 0.00 C ATOM 49 CE2 TYR A 3 -4.047 -19.800 8.647 1.00 0.00 C ATOM 50 CZ TYR A 3 -3.694 -20.782 9.520 1.00 0.00 C ATOM 51 OH TYR A 3 -4.063 -22.061 9.241 1.00 0.00 O ATOM 0 H TYR A 3 -3.560 -14.304 11.136 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.455 -17.013 12.363 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.911 -16.073 9.622 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.434 -16.660 10.359 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.033 -18.972 11.846 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.923 -17.646 8.267 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.725 -21.351 11.323 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.608 -20.031 7.753 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.563 -22.081 8.399 1.00 0.00 H new ATOM 60 N LYS A 4 -1.334 -14.518 12.104 1.00 0.00 N ATOM 61 CA LYS A 4 -0.200 -13.879 12.748 1.00 0.00 C ATOM 62 C LYS A 4 -0.703 -12.778 13.683 1.00 0.00 C ATOM 63 O LYS A 4 -1.721 -12.945 14.354 1.00 0.00 O ATOM 64 CB LYS A 4 0.803 -13.388 11.702 1.00 0.00 C ATOM 65 CG LYS A 4 0.939 -14.393 10.557 1.00 0.00 C ATOM 66 CD LYS A 4 2.179 -14.097 9.712 1.00 0.00 C ATOM 67 CE LYS A 4 1.829 -14.047 8.223 1.00 0.00 C ATOM 68 NZ LYS A 4 2.962 -14.538 7.408 1.00 0.00 N ATOM 0 H LYS A 4 -1.719 -14.005 11.311 1.00 0.00 H new ATOM 0 HA LYS A 4 0.342 -14.596 13.364 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.480 -12.424 11.308 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.775 -13.232 12.170 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.003 -15.403 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.049 -14.356 9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.614 -13.146 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.934 -14.864 9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.945 -14.655 8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.582 -13.025 7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.708 -14.497 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.797 -13.942 7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.179 -15.521 7.671 1.00 0.00 H new ATOM 78 N GLY A 5 0.033 -11.677 13.698 1.00 0.00 N ATOM 79 CA GLY A 5 -0.325 -10.548 14.540 1.00 0.00 C ATOM 80 C GLY A 5 0.260 -10.704 15.945 1.00 0.00 C ATOM 81 O GLY A 5 0.301 -9.745 16.714 1.00 0.00 O ATOM 0 H GLY A 5 0.876 -11.542 13.140 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.040 -9.625 14.091 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.410 -10.465 14.601 1.00 0.00 H new ATOM 85 N VAL A 6 0.697 -11.920 16.237 1.00 0.00 N ATOM 86 CA VAL A 6 1.278 -12.214 17.536 1.00 0.00 C ATOM 87 C VAL A 6 2.791 -12.384 17.386 1.00 0.00 C ATOM 88 O VAL A 6 3.546 -12.095 18.314 1.00 0.00 O ATOM 89 CB VAL A 6 0.596 -13.440 18.149 1.00 0.00 C ATOM 90 CG1 VAL A 6 0.778 -14.670 17.259 1.00 0.00 C ATOM 91 CG2 VAL A 6 1.114 -13.704 19.564 1.00 0.00 C ATOM 0 H VAL A 6 0.660 -12.713 15.597 1.00 0.00 H new ATOM 0 HA VAL A 6 1.111 -11.387 18.226 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.472 -13.232 18.217 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.284 -15.527 17.717 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.339 -14.479 16.280 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.841 -14.882 17.145 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.614 -14.580 19.977 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.189 -13.882 19.531 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.909 -12.838 20.194 1.00 0.00 H new ATOM 101 N ILE A 7 3.189 -12.852 16.213 1.00 0.00 N ATOM 102 CA ILE A 7 4.599 -13.063 15.930 1.00 0.00 C ATOM 103 C ILE A 7 5.314 -11.712 15.886 1.00 0.00 C ATOM 104 O ILE A 7 6.519 -11.636 16.121 1.00 0.00 O ATOM 105 CB ILE A 7 4.771 -13.893 14.656 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.144 -15.280 14.815 1.00 0.00 C ATOM 107 CG2 ILE A 7 6.243 -13.973 14.248 1.00 0.00 C ATOM 108 CD1 ILE A 7 3.475 -15.732 13.516 1.00 0.00 C ATOM 0 H ILE A 7 2.560 -13.091 15.447 1.00 0.00 H new ATOM 0 HA ILE A 7 5.065 -13.644 16.726 1.00 0.00 H new ATOM 0 HB ILE A 7 4.240 -13.391 13.848 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.911 -15.999 15.102 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.408 -15.260 15.619 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.337 -14.568 13.340 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.625 -12.969 14.065 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.818 -14.439 15.048 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.038 -16.720 13.657 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.692 -15.024 13.245 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.218 -15.774 12.720 1.00 0.00 H new ATOM 119 N GLN A 8 4.541 -10.679 15.584 1.00 0.00 N ATOM 120 CA GLN A 8 5.087 -9.335 15.506 1.00 0.00 C ATOM 121 C GLN A 8 5.489 -8.844 16.897 1.00 0.00 C ATOM 122 O GLN A 8 6.619 -8.403 17.101 1.00 0.00 O ATOM 123 CB GLN A 8 4.090 -8.376 14.853 1.00 0.00 C ATOM 124 CG GLN A 8 4.815 -7.274 14.077 1.00 0.00 C ATOM 125 CD GLN A 8 4.380 -7.260 12.610 1.00 0.00 C ATOM 126 OE1 GLN A 8 3.279 -7.651 12.258 1.00 0.00 O ATOM 127 NE2 GLN A 8 5.303 -6.787 11.777 1.00 0.00 N ATOM 0 H GLN A 8 3.542 -10.746 15.391 1.00 0.00 H new ATOM 0 HA GLN A 8 5.979 -9.362 14.880 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.436 -8.929 14.179 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.455 -7.929 15.618 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.605 -6.306 14.532 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.892 -7.429 14.139 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.205 -6.476 12.138 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.109 -6.735 10.777 1.00 0.00 H new ATOM 134 N ALA A 9 4.542 -8.937 17.819 1.00 0.00 N ATOM 135 CA ALA A 9 4.783 -8.507 19.187 1.00 0.00 C ATOM 136 C ALA A 9 5.885 -9.373 19.801 1.00 0.00 C ATOM 137 O ALA A 9 6.827 -8.853 20.399 1.00 0.00 O ATOM 138 CB ALA A 9 3.479 -8.574 19.981 1.00 0.00 C ATOM 0 H ALA A 9 3.606 -9.304 17.646 1.00 0.00 H new ATOM 0 HA ALA A 9 5.125 -7.472 19.210 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.660 -8.252 21.006 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.739 -7.920 19.520 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.107 -9.598 19.983 1.00 0.00 H new ATOM 144 N ILE A 10 5.732 -10.679 19.633 1.00 0.00 N ATOM 145 CA ILE A 10 6.701 -11.621 20.164 1.00 0.00 C ATOM 146 C ILE A 10 8.105 -11.210 19.713 1.00 0.00 C ATOM 147 O ILE A 10 9.095 -11.568 20.350 1.00 0.00 O ATOM 148 CB ILE A 10 6.325 -13.052 19.776 1.00 0.00 C ATOM 149 CG1 ILE A 10 5.022 -13.480 20.455 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.472 -14.020 20.075 1.00 0.00 C ATOM 151 CD1 ILE A 10 4.461 -14.750 19.813 1.00 0.00 C ATOM 0 H ILE A 10 4.950 -11.106 19.136 1.00 0.00 H new ATOM 0 HA ILE A 10 6.696 -11.599 21.254 1.00 0.00 H new ATOM 0 HB ILE A 10 6.152 -13.080 18.700 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.201 -13.653 21.516 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.289 -12.677 20.382 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.179 -15.030 19.790 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.355 -13.725 19.508 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.700 -13.995 21.141 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.535 -15.033 20.314 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.261 -14.566 18.757 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.187 -15.558 19.909 1.00 0.00 H new ATOM 162 N GLN A 11 8.145 -10.466 18.618 1.00 0.00 N ATOM 163 CA GLN A 11 9.411 -10.004 18.074 1.00 0.00 C ATOM 164 C GLN A 11 9.878 -8.746 18.812 1.00 0.00 C ATOM 165 O GLN A 11 11.060 -8.606 19.119 1.00 0.00 O ATOM 166 CB GLN A 11 9.300 -9.747 16.570 1.00 0.00 C ATOM 167 CG GLN A 11 10.006 -10.846 15.773 1.00 0.00 C ATOM 168 CD GLN A 11 9.575 -10.821 14.305 1.00 0.00 C ATOM 169 OE1 GLN A 11 8.852 -11.680 13.828 1.00 0.00 O ATOM 170 NE2 GLN A 11 10.061 -9.791 13.617 1.00 0.00 N ATOM 0 H GLN A 11 7.322 -10.172 18.093 1.00 0.00 H new ATOM 0 HA GLN A 11 10.155 -10.787 18.222 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.250 -9.701 16.282 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.739 -8.779 16.329 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.086 -10.713 15.841 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.777 -11.819 16.207 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.661 -9.107 14.078 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.833 -9.685 12.628 1.00 0.00 H new ATOM 177 N LYS A 12 8.925 -7.864 19.074 1.00 0.00 N ATOM 178 CA LYS A 12 9.223 -6.624 19.769 1.00 0.00 C ATOM 179 C LYS A 12 9.763 -6.945 21.166 1.00 0.00 C ATOM 180 O LYS A 12 10.671 -6.273 21.653 1.00 0.00 O ATOM 181 CB LYS A 12 7.998 -5.707 19.779 1.00 0.00 C ATOM 182 CG LYS A 12 8.052 -4.732 20.957 1.00 0.00 C ATOM 183 CD LYS A 12 7.356 -5.319 22.187 1.00 0.00 C ATOM 184 CE LYS A 12 6.079 -4.542 22.515 1.00 0.00 C ATOM 185 NZ LYS A 12 5.201 -5.341 23.400 1.00 0.00 N ATOM 0 H LYS A 12 7.945 -7.984 18.817 1.00 0.00 H new ATOM 0 HA LYS A 12 10.002 -6.071 19.244 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.949 -5.150 18.843 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.090 -6.307 19.841 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.090 -4.503 21.197 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.575 -3.793 20.678 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.113 -6.366 22.007 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.033 -5.291 23.041 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.334 -3.599 23.000 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.550 -4.294 21.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.339 -4.800 23.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.944 -6.229 22.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.703 -5.556 24.285 1.00 0.00 H new ATOM 195 N SER A 13 9.180 -7.970 21.769 1.00 0.00 N ATOM 196 CA SER A 13 9.591 -8.387 23.098 1.00 0.00 C ATOM 197 C SER A 13 10.878 -9.210 23.015 1.00 0.00 C ATOM 198 O SER A 13 11.619 -9.311 23.992 1.00 0.00 O ATOM 199 CB SER A 13 8.488 -9.195 23.788 1.00 0.00 C ATOM 200 OG SER A 13 7.322 -8.412 24.025 1.00 0.00 O ATOM 0 H SER A 13 8.426 -8.524 21.362 1.00 0.00 H new ATOM 0 HA SER A 13 9.777 -7.493 23.694 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.228 -10.055 23.170 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.862 -9.584 24.735 1.00 0.00 H new ATOM 0 HG SER A 13 6.641 -8.963 24.465 1.00 0.00 H new ATOM 205 N ASP A 14 11.104 -9.778 21.839 1.00 0.00 N ATOM 206 CA ASP A 14 12.288 -10.589 21.615 1.00 0.00 C ATOM 207 C ASP A 14 13.468 -9.677 21.273 1.00 0.00 C ATOM 208 O ASP A 14 14.619 -10.015 21.548 1.00 0.00 O ATOM 209 CB ASP A 14 12.082 -11.554 20.445 1.00 0.00 C ATOM 210 CG ASP A 14 13.258 -12.493 20.167 1.00 0.00 C ATOM 211 OD1 ASP A 14 13.397 -13.471 20.933 1.00 0.00 O ATOM 212 OD2 ASP A 14 13.991 -12.212 19.195 1.00 0.00 O ATOM 0 H ASP A 14 10.487 -9.692 21.031 1.00 0.00 H new ATOM 0 HA ASP A 14 12.482 -11.160 22.523 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.195 -12.156 20.642 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.880 -10.973 19.545 1.00 0.00 H new ATOM 216 N GLU A 15 13.142 -8.539 20.678 1.00 0.00 N ATOM 217 CA GLU A 15 14.161 -7.575 20.296 1.00 0.00 C ATOM 218 C GLU A 15 14.269 -6.471 21.349 1.00 0.00 C ATOM 219 O GLU A 15 15.314 -5.836 21.484 1.00 0.00 O ATOM 220 CB GLU A 15 13.869 -6.988 18.914 1.00 0.00 C ATOM 221 CG GLU A 15 14.118 -8.023 17.815 1.00 0.00 C ATOM 222 CD GLU A 15 14.738 -7.370 16.578 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.133 -6.392 16.089 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.803 -7.865 16.148 1.00 0.00 O ATOM 0 H GLU A 15 12.187 -8.263 20.451 1.00 0.00 H new ATOM 0 HA GLU A 15 15.119 -8.091 20.240 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.834 -6.648 18.871 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.499 -6.115 18.745 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.780 -8.804 18.189 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.178 -8.505 17.544 1.00 0.00 H new ATOM 229 N GLY A 16 13.173 -6.274 22.068 1.00 0.00 N ATOM 230 CA GLY A 16 13.132 -5.257 23.105 1.00 0.00 C ATOM 231 C GLY A 16 13.867 -3.991 22.661 1.00 0.00 C ATOM 232 O GLY A 16 15.022 -3.779 23.027 1.00 0.00 O ATOM 0 H GLY A 16 12.307 -6.801 21.953 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.096 -5.016 23.342 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.586 -5.644 24.017 1.00 0.00 H new ATOM 236 N HIS A 17 13.168 -3.182 21.879 1.00 0.00 N ATOM 237 CA HIS A 17 13.740 -1.943 21.382 1.00 0.00 C ATOM 238 C HIS A 17 13.577 -0.844 22.434 1.00 0.00 C ATOM 239 O HIS A 17 12.696 -0.923 23.288 1.00 0.00 O ATOM 240 CB HIS A 17 13.129 -1.566 20.031 1.00 0.00 C ATOM 241 CG HIS A 17 13.317 -2.612 18.958 1.00 0.00 C ATOM 242 ND1 HIS A 17 12.260 -3.158 18.251 1.00 0.00 N ATOM 243 CD2 HIS A 17 14.449 -3.205 18.480 1.00 0.00 C ATOM 244 CE1 HIS A 17 12.746 -4.039 17.389 1.00 0.00 C ATOM 245 NE2 HIS A 17 14.103 -4.067 17.532 1.00 0.00 N ATOM 0 H HIS A 17 12.210 -3.361 21.577 1.00 0.00 H new ATOM 0 HA HIS A 17 14.808 -2.075 21.208 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.062 -1.385 20.164 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.572 -0.629 19.692 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.456 -3.007 18.816 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.169 -4.632 16.694 1.00 0.00 H new ATOM 0 HE2 HIS A 17 14.745 -4.653 16.999 1.00 0.00 H new ATOM 253 N PRO A 18 14.464 0.183 22.334 1.00 0.00 N ATOM 254 CA PRO A 18 14.426 1.297 23.266 1.00 0.00 C ATOM 255 C PRO A 18 13.256 2.232 22.957 1.00 0.00 C ATOM 256 O PRO A 18 12.288 2.292 23.714 1.00 0.00 O ATOM 257 CB PRO A 18 15.780 1.974 23.125 1.00 0.00 C ATOM 258 CG PRO A 18 16.346 1.501 21.795 1.00 0.00 C ATOM 259 CD PRO A 18 15.520 0.311 21.334 1.00 0.00 C ATOM 0 HA PRO A 18 14.259 0.978 24.295 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.678 3.059 23.142 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.440 1.703 23.949 1.00 0.00 H new ATOM 0 HG2 PRO A 18 16.307 2.302 21.057 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.393 1.219 21.904 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.106 0.478 20.340 1.00 0.00 H new ATOM 0 HD3 PRO A 18 16.125 -0.594 21.279 1.00 0.00 H new ATOM 264 N PHE A 19 13.382 2.939 21.844 1.00 0.00 N ATOM 265 CA PHE A 19 12.346 3.868 21.426 1.00 0.00 C ATOM 266 C PHE A 19 11.341 3.186 20.496 1.00 0.00 C ATOM 267 O PHE A 19 10.133 3.269 20.715 1.00 0.00 O ATOM 268 CB PHE A 19 13.041 4.998 20.664 1.00 0.00 C ATOM 269 CG PHE A 19 13.857 5.940 21.554 1.00 0.00 C ATOM 270 CD1 PHE A 19 15.070 5.548 22.025 1.00 0.00 C ATOM 271 CD2 PHE A 19 13.366 7.168 21.873 1.00 0.00 C ATOM 272 CE1 PHE A 19 15.826 6.421 22.851 1.00 0.00 C ATOM 273 CE2 PHE A 19 14.122 8.040 22.699 1.00 0.00 C ATOM 274 CZ PHE A 19 15.336 7.650 23.171 1.00 0.00 C ATOM 0 H PHE A 19 14.186 2.887 21.219 1.00 0.00 H new ATOM 0 HA PHE A 19 11.803 4.237 22.296 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.700 4.564 19.912 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.289 5.579 20.131 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.459 4.573 21.771 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.402 7.479 21.498 1.00 0.00 H new ATOM 0 HE1 PHE A 19 16.790 6.110 23.225 1.00 0.00 H new ATOM 0 HE2 PHE A 19 13.732 9.015 22.953 1.00 0.00 H new ATOM 0 HZ PHE A 19 15.911 8.314 23.799 1.00 0.00 H new ATOM 283 N ARG A 20 11.875 2.527 19.479 1.00 0.00 N ATOM 284 CA ARG A 20 11.040 1.832 18.516 1.00 0.00 C ATOM 285 C ARG A 20 9.960 1.021 19.237 1.00 0.00 C ATOM 286 O ARG A 20 8.856 0.855 18.722 1.00 0.00 O ATOM 287 CB ARG A 20 11.873 0.892 17.641 1.00 0.00 C ATOM 288 CG ARG A 20 12.584 1.666 16.529 1.00 0.00 C ATOM 289 CD ARG A 20 13.013 0.730 15.398 1.00 0.00 C ATOM 290 NE ARG A 20 13.036 1.465 14.113 1.00 0.00 N ATOM 291 CZ ARG A 20 13.599 0.999 12.990 1.00 0.00 C ATOM 292 NH1 ARG A 20 14.191 -0.204 12.987 1.00 0.00 N ATOM 293 NH2 ARG A 20 13.570 1.735 11.871 1.00 0.00 N ATOM 0 H ARG A 20 12.877 2.460 19.301 1.00 0.00 H new ATOM 0 HA ARG A 20 10.572 2.584 17.880 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.609 0.373 18.256 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.228 0.130 17.204 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.921 2.437 16.136 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.458 2.175 16.936 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.000 0.320 15.609 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.325 -0.113 15.332 1.00 0.00 H new ATOM 0 HE ARG A 20 12.595 2.384 14.081 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.213 -0.764 13.839 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.620 -0.559 12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.119 2.650 11.874 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.999 1.380 11.016 1.00 0.00 H new ATOM 304 N ALA A 21 10.318 0.540 20.418 1.00 0.00 N ATOM 305 CA ALA A 21 9.393 -0.249 21.215 1.00 0.00 C ATOM 306 C ALA A 21 8.187 0.614 21.592 1.00 0.00 C ATOM 307 O ALA A 21 7.051 0.280 21.261 1.00 0.00 O ATOM 308 CB ALA A 21 10.121 -0.803 22.442 1.00 0.00 C ATOM 0 H ALA A 21 11.235 0.681 20.842 1.00 0.00 H new ATOM 0 HA ALA A 21 9.023 -1.100 20.644 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.428 -1.395 23.040 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.951 -1.432 22.120 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.504 0.023 23.042 1.00 0.00 H new ATOM 314 N TYR A 22 8.476 1.709 22.282 1.00 0.00 N ATOM 315 CA TYR A 22 7.430 2.623 22.707 1.00 0.00 C ATOM 316 C TYR A 22 6.458 2.915 21.563 1.00 0.00 C ATOM 317 O TYR A 22 5.275 3.161 21.795 1.00 0.00 O ATOM 318 CB TYR A 22 8.139 3.919 23.103 1.00 0.00 C ATOM 319 CG TYR A 22 8.343 4.082 24.611 1.00 0.00 C ATOM 320 CD1 TYR A 22 8.926 3.066 25.341 1.00 0.00 C ATOM 321 CD2 TYR A 22 7.946 5.244 25.240 1.00 0.00 C ATOM 322 CE1 TYR A 22 9.119 3.219 26.760 1.00 0.00 C ATOM 323 CE2 TYR A 22 8.139 5.397 26.659 1.00 0.00 C ATOM 324 CZ TYR A 22 8.716 4.377 27.349 1.00 0.00 C ATOM 325 OH TYR A 22 8.898 4.521 28.688 1.00 0.00 O ATOM 0 H TYR A 22 9.419 1.983 22.557 1.00 0.00 H new ATOM 0 HA TYR A 22 6.855 2.194 23.527 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.110 3.955 22.610 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.561 4.765 22.731 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.237 2.157 24.848 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.490 6.039 24.668 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.574 2.432 27.343 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.832 6.301 27.164 1.00 0.00 H new ATOM 0 HH TYR A 22 8.564 5.398 28.971 1.00 0.00 H new ATOM 334 N LEU A 23 6.993 2.879 20.351 1.00 0.00 N ATOM 335 CA LEU A 23 6.187 3.138 19.169 1.00 0.00 C ATOM 336 C LEU A 23 5.415 1.871 18.797 1.00 0.00 C ATOM 337 O LEU A 23 4.196 1.908 18.633 1.00 0.00 O ATOM 338 CB LEU A 23 7.059 3.682 18.035 1.00 0.00 C ATOM 339 CG LEU A 23 6.355 4.591 17.026 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.727 5.800 17.722 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.309 5.006 15.905 1.00 0.00 C ATOM 0 H LEU A 23 7.974 2.675 20.162 1.00 0.00 H new ATOM 0 HA LEU A 23 5.449 3.914 19.373 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.889 4.235 18.475 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.488 2.837 17.496 1.00 0.00 H new ATOM 0 HG LEU A 23 5.543 4.028 16.566 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.233 6.430 16.982 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.995 5.459 18.454 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.504 6.374 18.226 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.784 5.652 15.201 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.156 5.545 16.329 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.667 4.118 15.385 1.00 0.00 H new ATOM 352 N GLU A 24 6.155 0.778 18.676 1.00 0.00 N ATOM 353 CA GLU A 24 5.554 -0.498 18.326 1.00 0.00 C ATOM 354 C GLU A 24 4.477 -0.874 19.345 1.00 0.00 C ATOM 355 O GLU A 24 3.530 -1.589 19.019 1.00 0.00 O ATOM 356 CB GLU A 24 6.616 -1.593 18.221 1.00 0.00 C ATOM 357 CG GLU A 24 6.782 -2.060 16.774 1.00 0.00 C ATOM 358 CD GLU A 24 6.166 -3.446 16.572 1.00 0.00 C ATOM 359 OE1 GLU A 24 4.923 -3.503 16.457 1.00 0.00 O ATOM 360 OE2 GLU A 24 6.952 -4.417 16.533 1.00 0.00 O ATOM 0 H GLU A 24 7.165 0.750 18.814 1.00 0.00 H new ATOM 0 HA GLU A 24 5.083 -0.400 17.348 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.568 -1.218 18.597 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.335 -2.438 18.850 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.308 -1.346 16.101 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.841 -2.087 16.516 1.00 0.00 H new ATOM 365 N SER A 25 4.656 -0.375 20.560 1.00 0.00 N ATOM 366 CA SER A 25 3.711 -0.650 21.629 1.00 0.00 C ATOM 367 C SER A 25 2.318 -0.152 21.237 1.00 0.00 C ATOM 368 O SER A 25 1.356 -0.918 21.243 1.00 0.00 O ATOM 369 CB SER A 25 4.158 0.000 22.940 1.00 0.00 C ATOM 370 OG SER A 25 3.067 0.203 23.834 1.00 0.00 O ATOM 0 H SER A 25 5.442 0.218 20.827 1.00 0.00 H new ATOM 0 HA SER A 25 3.674 -1.728 21.784 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.908 -0.629 23.420 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.635 0.957 22.726 1.00 0.00 H new ATOM 0 HG SER A 25 3.393 0.618 24.659 1.00 0.00 H new ATOM 375 N GLU A 26 2.255 1.130 20.906 1.00 0.00 N ATOM 376 CA GLU A 26 0.996 1.739 20.512 1.00 0.00 C ATOM 377 C GLU A 26 0.397 0.996 19.317 1.00 0.00 C ATOM 378 O GLU A 26 -0.811 1.047 19.091 1.00 0.00 O ATOM 379 CB GLU A 26 1.181 3.225 20.198 1.00 0.00 C ATOM 380 CG GLU A 26 0.558 4.098 21.289 1.00 0.00 C ATOM 381 CD GLU A 26 0.568 5.574 20.883 1.00 0.00 C ATOM 382 OE1 GLU A 26 1.665 6.058 20.530 1.00 0.00 O ATOM 383 OE2 GLU A 26 -0.521 6.184 20.935 1.00 0.00 O ATOM 0 H GLU A 26 3.055 1.763 20.903 1.00 0.00 H new ATOM 0 HA GLU A 26 0.300 1.662 21.348 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.243 3.452 20.108 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.723 3.457 19.236 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.466 3.776 21.477 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.109 3.970 22.221 1.00 0.00 H new ATOM 388 N VAL A 27 1.270 0.323 18.582 1.00 0.00 N ATOM 389 CA VAL A 27 0.843 -0.430 17.415 1.00 0.00 C ATOM 390 C VAL A 27 0.286 -1.783 17.862 1.00 0.00 C ATOM 391 O VAL A 27 -0.753 -2.224 17.373 1.00 0.00 O ATOM 392 CB VAL A 27 2.000 -0.557 16.421 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.654 -1.540 15.301 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.387 0.809 15.853 1.00 0.00 C ATOM 0 H VAL A 27 2.271 0.283 18.772 1.00 0.00 H new ATOM 0 HA VAL A 27 0.042 0.095 16.894 1.00 0.00 H new ATOM 0 HB VAL A 27 2.862 -0.952 16.958 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.492 -1.612 14.608 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.451 -2.522 15.729 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.772 -1.187 14.767 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.211 0.690 15.150 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.531 1.245 15.338 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.695 1.467 16.666 1.00 0.00 H new ATOM 404 N ALA A 28 1.002 -2.405 18.786 1.00 0.00 N ATOM 405 CA ALA A 28 0.593 -3.700 19.305 1.00 0.00 C ATOM 406 C ALA A 28 -0.623 -3.518 20.215 1.00 0.00 C ATOM 407 O ALA A 28 -1.450 -4.421 20.340 1.00 0.00 O ATOM 408 CB ALA A 28 1.771 -4.355 20.029 1.00 0.00 C ATOM 0 H ALA A 28 1.863 -2.037 19.189 1.00 0.00 H new ATOM 0 HA ALA A 28 0.300 -4.365 18.492 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.465 -5.326 20.418 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.598 -4.488 19.332 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.091 -3.718 20.854 1.00 0.00 H new ATOM 414 N ILE A 29 -0.694 -2.345 20.828 1.00 0.00 N ATOM 415 CA ILE A 29 -1.795 -2.035 21.722 1.00 0.00 C ATOM 416 C ILE A 29 -3.079 -1.870 20.906 1.00 0.00 C ATOM 417 O ILE A 29 -4.170 -2.165 21.392 1.00 0.00 O ATOM 418 CB ILE A 29 -1.456 -0.819 22.588 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.891 -1.039 24.038 1.00 0.00 C ATOM 420 CG2 ILE A 29 -2.056 0.458 21.997 1.00 0.00 C ATOM 421 CD1 ILE A 29 -3.397 -0.824 24.198 1.00 0.00 C ATOM 0 H ILE A 29 -0.007 -1.599 20.723 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.963 -2.857 22.418 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.373 -0.694 22.593 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.629 -2.050 24.350 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.351 -0.354 24.691 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.801 1.307 22.631 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.655 0.619 20.996 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.140 0.359 21.942 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.679 -0.987 25.238 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.652 0.195 23.908 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.935 -1.527 23.562 1.00 0.00 H new ATOM 432 N SER A 30 -2.906 -1.399 19.680 1.00 0.00 N ATOM 433 CA SER A 30 -4.037 -1.190 18.792 1.00 0.00 C ATOM 434 C SER A 30 -4.497 -2.528 18.209 1.00 0.00 C ATOM 435 O SER A 30 -5.694 -2.759 18.044 1.00 0.00 O ATOM 436 CB SER A 30 -3.683 -0.215 17.668 1.00 0.00 C ATOM 437 OG SER A 30 -2.914 -0.837 16.643 1.00 0.00 O ATOM 0 H SER A 30 -1.999 -1.156 19.280 1.00 0.00 H new ATOM 0 HA SER A 30 -4.851 -0.753 19.371 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.599 0.190 17.238 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.125 0.626 18.080 1.00 0.00 H new ATOM 0 HG SER A 30 -2.060 -1.143 17.014 1.00 0.00 H new ATOM 442 N GLU A 31 -3.521 -3.374 17.911 1.00 0.00 N ATOM 443 CA GLU A 31 -3.811 -4.682 17.348 1.00 0.00 C ATOM 444 C GLU A 31 -4.826 -5.422 18.223 1.00 0.00 C ATOM 445 O GLU A 31 -5.554 -6.286 17.737 1.00 0.00 O ATOM 446 CB GLU A 31 -2.530 -5.502 17.181 1.00 0.00 C ATOM 447 CG GLU A 31 -2.848 -6.927 16.724 1.00 0.00 C ATOM 448 CD GLU A 31 -3.458 -6.930 15.320 1.00 0.00 C ATOM 449 OE1 GLU A 31 -2.744 -6.494 14.391 1.00 0.00 O ATOM 450 OE2 GLU A 31 -4.623 -7.368 15.209 1.00 0.00 O ATOM 0 H GLU A 31 -2.529 -3.179 18.049 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.246 -4.543 16.358 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.877 -5.020 16.453 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.987 -5.532 18.126 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.938 -7.526 16.730 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.540 -7.392 17.426 1.00 0.00 H new ATOM 455 N GLU A 32 -4.841 -5.056 19.495 1.00 0.00 N ATOM 456 CA GLU A 32 -5.755 -5.675 20.441 1.00 0.00 C ATOM 457 C GLU A 32 -7.128 -5.003 20.370 1.00 0.00 C ATOM 458 O GLU A 32 -8.139 -5.614 20.709 1.00 0.00 O ATOM 459 CB GLU A 32 -5.192 -5.621 21.863 1.00 0.00 C ATOM 460 CG GLU A 32 -4.284 -6.822 22.138 1.00 0.00 C ATOM 461 CD GLU A 32 -3.398 -6.571 23.361 1.00 0.00 C ATOM 462 OE1 GLU A 32 -2.364 -5.892 23.183 1.00 0.00 O ATOM 463 OE2 GLU A 32 -3.777 -7.064 24.446 1.00 0.00 O ATOM 0 H GLU A 32 -4.235 -4.339 19.894 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.871 -6.725 20.170 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.631 -4.697 22.001 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.011 -5.607 22.582 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.892 -7.712 22.301 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.660 -7.018 21.266 1.00 0.00 H new ATOM 468 N LEU A 33 -7.118 -3.755 19.926 1.00 0.00 N ATOM 469 CA LEU A 33 -8.349 -2.994 19.805 1.00 0.00 C ATOM 470 C LEU A 33 -9.217 -3.606 18.703 1.00 0.00 C ATOM 471 O LEU A 33 -10.407 -3.842 18.905 1.00 0.00 O ATOM 472 CB LEU A 33 -8.044 -1.509 19.594 1.00 0.00 C ATOM 473 CG LEU A 33 -8.076 -0.633 20.847 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.496 -0.146 21.141 1.00 0.00 C ATOM 475 CD2 LEU A 33 -7.462 -1.364 22.043 1.00 0.00 C ATOM 0 H LEU A 33 -6.276 -3.252 19.646 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.922 -3.049 20.730 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.057 -1.422 19.139 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.761 -1.109 18.877 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.465 0.250 20.661 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.490 0.475 22.037 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.862 0.439 20.297 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.150 -1.004 21.299 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.497 -0.719 22.921 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.025 -2.276 22.240 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.426 -1.618 21.821 1.00 0.00 H new ATOM 486 N VAL A 34 -8.587 -3.846 17.563 1.00 0.00 N ATOM 487 CA VAL A 34 -9.286 -4.426 16.430 1.00 0.00 C ATOM 488 C VAL A 34 -9.806 -5.813 16.811 1.00 0.00 C ATOM 489 O VAL A 34 -10.711 -6.340 16.166 1.00 0.00 O ATOM 490 CB VAL A 34 -8.369 -4.449 15.205 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.214 -5.432 15.403 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.158 -4.777 13.935 1.00 0.00 C ATOM 0 H VAL A 34 -7.600 -3.649 17.400 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.150 -3.817 16.163 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.943 -3.453 15.086 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.578 -5.429 14.518 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.628 -5.134 16.272 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.612 -6.434 15.560 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.483 -4.787 13.079 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.625 -5.756 14.040 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.929 -4.022 13.780 1.00 0.00 H new ATOM 502 N GLN A 35 -9.213 -6.364 17.861 1.00 0.00 N ATOM 503 CA GLN A 35 -9.606 -7.679 18.337 1.00 0.00 C ATOM 504 C GLN A 35 -10.856 -7.575 19.213 1.00 0.00 C ATOM 505 O GLN A 35 -11.604 -8.542 19.351 1.00 0.00 O ATOM 506 CB GLN A 35 -8.460 -8.353 19.095 1.00 0.00 C ATOM 507 CG GLN A 35 -8.677 -9.865 19.187 1.00 0.00 C ATOM 508 CD GLN A 35 -8.006 -10.587 18.016 1.00 0.00 C ATOM 509 OE1 GLN A 35 -8.304 -10.354 16.856 1.00 0.00 O ATOM 510 NE2 GLN A 35 -7.085 -11.473 18.384 1.00 0.00 N ATOM 0 H GLN A 35 -8.464 -5.923 18.395 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.842 -8.301 17.473 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.516 -8.148 18.591 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.385 -7.931 20.097 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.273 -10.237 20.128 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.745 -10.083 19.190 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.884 -11.619 19.373 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.579 -12.006 17.677 1.00 0.00 H new ATOM 517 N LYS A 36 -11.043 -6.393 19.783 1.00 0.00 N ATOM 518 CA LYS A 36 -12.190 -6.151 20.642 1.00 0.00 C ATOM 519 C LYS A 36 -13.420 -5.869 19.776 1.00 0.00 C ATOM 520 O LYS A 36 -14.551 -6.082 20.210 1.00 0.00 O ATOM 521 CB LYS A 36 -11.880 -5.042 21.649 1.00 0.00 C ATOM 522 CG LYS A 36 -12.498 -5.352 23.013 1.00 0.00 C ATOM 523 CD LYS A 36 -11.733 -4.646 24.135 1.00 0.00 C ATOM 524 CE LYS A 36 -12.696 -3.993 25.129 1.00 0.00 C ATOM 525 NZ LYS A 36 -12.161 -4.085 26.505 1.00 0.00 N ATOM 0 H LYS A 36 -10.420 -5.594 19.667 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.414 -7.037 21.237 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.801 -4.930 21.752 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.265 -4.092 21.279 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.541 -5.035 23.024 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.490 -6.429 23.184 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.099 -5.364 24.655 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.074 -3.889 23.710 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.850 -2.948 24.862 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.669 -4.482 25.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.827 -3.637 27.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.036 -5.085 26.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.244 -3.598 26.554 1.00 0.00 H new ATOM 535 N TYR A 37 -13.156 -5.393 18.567 1.00 0.00 N ATOM 536 CA TYR A 37 -14.227 -5.080 17.637 1.00 0.00 C ATOM 537 C TYR A 37 -15.134 -6.292 17.415 1.00 0.00 C ATOM 538 O TYR A 37 -16.301 -6.143 17.057 1.00 0.00 O ATOM 539 CB TYR A 37 -13.547 -4.718 16.315 1.00 0.00 C ATOM 540 CG TYR A 37 -14.107 -5.462 15.103 1.00 0.00 C ATOM 541 CD1 TYR A 37 -15.444 -5.352 14.782 1.00 0.00 C ATOM 542 CD2 TYR A 37 -13.274 -6.245 14.329 1.00 0.00 C ATOM 543 CE1 TYR A 37 -15.971 -6.053 13.640 1.00 0.00 C ATOM 544 CE2 TYR A 37 -13.801 -6.947 13.186 1.00 0.00 C ATOM 545 CZ TYR A 37 -15.124 -6.816 12.899 1.00 0.00 C ATOM 546 OH TYR A 37 -15.621 -7.478 11.820 1.00 0.00 O ATOM 0 H TYR A 37 -12.216 -5.217 18.211 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.845 -4.270 18.024 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.648 -3.646 16.148 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.481 -4.929 16.397 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.096 -4.740 15.388 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.227 -6.331 14.580 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.016 -5.974 13.378 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -13.160 -7.563 12.572 1.00 0.00 H new ATOM 0 HH TYR A 37 -14.901 -7.982 11.385 1.00 0.00 H new ATOM 555 N SER A 38 -14.561 -7.467 17.635 1.00 0.00 N ATOM 556 CA SER A 38 -15.302 -8.705 17.463 1.00 0.00 C ATOM 557 C SER A 38 -16.150 -8.983 18.706 1.00 0.00 C ATOM 558 O SER A 38 -17.320 -9.345 18.594 1.00 0.00 O ATOM 559 CB SER A 38 -14.359 -9.878 17.190 1.00 0.00 C ATOM 560 OG SER A 38 -15.056 -11.022 16.707 1.00 0.00 O ATOM 0 H SER A 38 -13.592 -7.587 17.931 1.00 0.00 H new ATOM 0 HA SER A 38 -15.959 -8.594 16.600 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.607 -9.577 16.460 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.828 -10.137 18.106 1.00 0.00 H new ATOM 0 HG SER A 38 -14.419 -11.748 16.543 1.00 0.00 H new ATOM 565 N ASN A 39 -15.527 -8.805 19.861 1.00 0.00 N ATOM 566 CA ASN A 39 -16.210 -9.033 21.123 1.00 0.00 C ATOM 567 C ASN A 39 -17.142 -7.855 21.413 1.00 0.00 C ATOM 568 O ASN A 39 -18.347 -8.040 21.584 1.00 0.00 O ATOM 569 CB ASN A 39 -15.212 -9.141 22.277 1.00 0.00 C ATOM 570 CG ASN A 39 -15.212 -10.550 22.872 1.00 0.00 C ATOM 571 OD1 ASN A 39 -14.755 -11.507 22.268 1.00 0.00 O ATOM 572 ND2 ASN A 39 -15.749 -10.626 24.086 1.00 0.00 N ATOM 0 H ASN A 39 -14.556 -8.505 19.950 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.769 -9.965 21.041 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.212 -8.892 21.922 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.465 -8.416 23.050 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.796 -11.524 24.567 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -16.114 -9.786 24.536 1.00 0.00 H new ATOM 578 N SER A 40 -16.551 -6.670 21.459 1.00 0.00 N ATOM 579 CA SER A 40 -17.315 -5.463 21.725 1.00 0.00 C ATOM 580 C SER A 40 -18.468 -5.341 20.727 1.00 0.00 C ATOM 581 O SER A 40 -19.498 -4.744 21.034 1.00 0.00 O ATOM 582 CB SER A 40 -16.422 -4.222 21.660 1.00 0.00 C ATOM 583 OG SER A 40 -16.245 -3.762 20.322 1.00 0.00 O ATOM 0 H SER A 40 -15.552 -6.520 21.317 1.00 0.00 H new ATOM 0 HA SER A 40 -17.723 -5.532 22.733 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.862 -3.427 22.262 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.450 -4.451 22.096 1.00 0.00 H new ATOM 0 HG SER A 40 -15.687 -4.398 19.828 1.00 0.00 H new ATOM 588 N ALA A 41 -18.256 -5.919 19.554 1.00 0.00 N ATOM 589 CA ALA A 41 -19.265 -5.883 18.509 1.00 0.00 C ATOM 590 C ALA A 41 -20.602 -6.357 19.081 1.00 0.00 C ATOM 591 O ALA A 41 -21.661 -6.013 18.559 1.00 0.00 O ATOM 592 CB ALA A 41 -18.803 -6.734 17.324 1.00 0.00 C ATOM 0 H ALA A 41 -17.400 -6.415 19.304 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.405 -4.865 18.145 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -19.560 -6.707 16.540 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -17.864 -6.338 16.936 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -18.655 -7.763 17.651 1.00 0.00 H new ATOM 598 N LEU A 42 -20.509 -7.140 20.146 1.00 0.00 N ATOM 599 CA LEU A 42 -21.699 -7.664 20.795 1.00 0.00 C ATOM 600 C LEU A 42 -22.328 -6.570 21.659 1.00 0.00 C ATOM 601 O LEU A 42 -22.532 -6.761 22.857 1.00 0.00 O ATOM 602 CB LEU A 42 -21.369 -8.944 21.565 1.00 0.00 C ATOM 603 CG LEU A 42 -21.396 -10.241 20.754 1.00 0.00 C ATOM 604 CD1 LEU A 42 -20.586 -11.339 21.448 1.00 0.00 C ATOM 605 CD2 LEU A 42 -22.833 -10.682 20.472 1.00 0.00 C ATOM 0 H LEU A 42 -19.629 -7.424 20.575 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.444 -7.950 20.052 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.378 -8.834 22.005 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -22.075 -9.040 22.390 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.923 -10.051 19.791 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.622 -12.250 20.851 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -19.551 -11.015 21.554 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.008 -11.535 22.434 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -22.823 -11.606 19.894 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -23.354 -10.849 21.415 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -23.347 -9.906 19.906 1.00 0.00 H new ATOM 616 N GLY A 43 -22.618 -5.447 21.019 1.00 0.00 N ATOM 617 CA GLY A 43 -23.220 -4.323 21.715 1.00 0.00 C ATOM 618 C GLY A 43 -23.196 -3.064 20.845 1.00 0.00 C ATOM 619 O GLY A 43 -24.193 -2.727 20.208 1.00 0.00 O ATOM 0 H GLY A 43 -22.447 -5.291 20.026 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.248 -4.565 21.983 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -22.684 -4.137 22.645 1.00 0.00 H new ATOM 623 N HIS A 44 -22.047 -2.404 20.847 1.00 0.00 N ATOM 624 CA HIS A 44 -21.882 -1.190 20.066 1.00 0.00 C ATOM 625 C HIS A 44 -20.669 -0.411 20.579 1.00 0.00 C ATOM 626 O HIS A 44 -20.724 0.810 20.719 1.00 0.00 O ATOM 627 CB HIS A 44 -23.165 -0.359 20.073 1.00 0.00 C ATOM 628 CG HIS A 44 -23.970 -0.459 18.798 1.00 0.00 C ATOM 629 ND1 HIS A 44 -25.345 -0.617 18.790 1.00 0.00 N ATOM 630 CD2 HIS A 44 -23.577 -0.421 17.493 1.00 0.00 C ATOM 631 CE1 HIS A 44 -25.750 -0.670 17.529 1.00 0.00 C ATOM 632 NE2 HIS A 44 -24.654 -0.550 16.727 1.00 0.00 N ATOM 0 H HIS A 44 -21.222 -2.687 21.376 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.692 -1.448 19.024 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -23.787 -0.678 20.909 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.908 0.686 20.247 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -22.562 -0.306 17.142 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -26.770 -0.788 17.195 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -24.660 -0.558 15.707 1.00 0.00 H new ATOM 640 N VAL A 45 -19.601 -1.149 20.846 1.00 0.00 N ATOM 641 CA VAL A 45 -18.378 -0.543 21.342 1.00 0.00 C ATOM 642 C VAL A 45 -17.278 -0.690 20.288 1.00 0.00 C ATOM 643 O VAL A 45 -16.356 0.122 20.231 1.00 0.00 O ATOM 644 CB VAL A 45 -17.997 -1.159 22.691 1.00 0.00 C ATOM 645 CG1 VAL A 45 -16.481 -1.144 22.892 1.00 0.00 C ATOM 646 CG2 VAL A 45 -18.710 -0.442 23.840 1.00 0.00 C ATOM 0 H VAL A 45 -19.558 -2.161 20.728 1.00 0.00 H new ATOM 0 HA VAL A 45 -18.524 0.523 21.516 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.324 -2.199 22.690 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.238 -1.587 23.858 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.003 -1.718 22.098 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -16.120 -0.116 22.863 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -18.423 -0.898 24.787 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -18.427 0.611 23.843 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -19.789 -0.527 23.708 1.00 0.00 H new ATOM 656 N ASN A 46 -17.412 -1.730 19.480 1.00 0.00 N ATOM 657 CA ASN A 46 -16.442 -1.994 18.430 1.00 0.00 C ATOM 658 C ASN A 46 -16.318 -0.759 17.535 1.00 0.00 C ATOM 659 O ASN A 46 -15.312 -0.583 16.851 1.00 0.00 O ATOM 660 CB ASN A 46 -16.882 -3.170 17.556 1.00 0.00 C ATOM 661 CG ASN A 46 -18.325 -2.990 17.080 1.00 0.00 C ATOM 662 OD1 ASN A 46 -19.085 -2.196 17.608 1.00 0.00 O ATOM 663 ND2 ASN A 46 -18.657 -3.769 16.054 1.00 0.00 N ATOM 0 H ASN A 46 -18.178 -2.401 19.531 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.490 -2.234 18.903 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.219 -3.256 16.695 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.794 -4.099 18.119 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -19.598 -3.723 15.662 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.971 -4.412 15.659 1.00 0.00 H new ATOM 669 N CYS A 47 -17.356 0.063 17.570 1.00 0.00 N ATOM 670 CA CYS A 47 -17.376 1.276 16.770 1.00 0.00 C ATOM 671 C CYS A 47 -16.763 2.408 17.598 1.00 0.00 C ATOM 672 O CYS A 47 -16.228 3.367 17.044 1.00 0.00 O ATOM 673 CB CYS A 47 -18.790 1.618 16.295 1.00 0.00 C ATOM 674 SG CYS A 47 -19.643 2.637 17.553 1.00 0.00 S ATOM 0 H CYS A 47 -18.189 -0.087 18.139 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.786 1.127 15.866 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.744 2.157 15.349 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.353 0.702 16.114 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.842 2.924 17.139 1.00 0.00 H new ATOM 679 N THR A 48 -16.861 2.259 18.910 1.00 0.00 N ATOM 680 CA THR A 48 -16.323 3.255 19.820 1.00 0.00 C ATOM 681 C THR A 48 -14.824 3.031 20.031 1.00 0.00 C ATOM 682 O THR A 48 -14.099 3.958 20.388 1.00 0.00 O ATOM 683 CB THR A 48 -17.134 3.200 21.116 1.00 0.00 C ATOM 684 OG1 THR A 48 -18.136 4.198 20.941 1.00 0.00 O ATOM 685 CG2 THR A 48 -16.335 3.682 22.328 1.00 0.00 C ATOM 0 H THR A 48 -17.306 1.462 19.365 1.00 0.00 H new ATOM 0 HA THR A 48 -16.414 4.259 19.405 1.00 0.00 H new ATOM 0 HB THR A 48 -17.473 2.179 21.289 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.709 4.229 21.735 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.957 3.622 23.221 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.454 3.053 22.457 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.023 4.715 22.171 1.00 0.00 H new ATOM 693 N ILE A 49 -14.406 1.796 19.800 1.00 0.00 N ATOM 694 CA ILE A 49 -13.006 1.438 19.960 1.00 0.00 C ATOM 695 C ILE A 49 -12.287 1.601 18.620 1.00 0.00 C ATOM 696 O ILE A 49 -11.131 2.021 18.579 1.00 0.00 O ATOM 697 CB ILE A 49 -12.877 0.038 20.562 1.00 0.00 C ATOM 698 CG1 ILE A 49 -13.743 -0.969 19.801 1.00 0.00 C ATOM 699 CG2 ILE A 49 -13.196 0.052 22.059 1.00 0.00 C ATOM 700 CD1 ILE A 49 -12.953 -2.239 19.478 1.00 0.00 C ATOM 0 H ILE A 49 -15.011 1.030 19.503 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.519 2.109 20.667 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.841 -0.284 20.457 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.619 -1.224 20.397 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.106 -0.517 18.878 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.097 -0.956 22.462 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.503 0.718 22.573 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.216 0.404 22.210 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.592 -2.937 18.937 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.091 -1.984 18.862 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.613 -2.701 20.405 1.00 0.00 H new ATOM 711 N LYS A 50 -12.999 1.260 17.557 1.00 0.00 N ATOM 712 CA LYS A 50 -12.442 1.362 16.218 1.00 0.00 C ATOM 713 C LYS A 50 -12.411 2.834 15.796 1.00 0.00 C ATOM 714 O LYS A 50 -11.342 3.387 15.543 1.00 0.00 O ATOM 715 CB LYS A 50 -13.207 0.460 15.248 1.00 0.00 C ATOM 716 CG LYS A 50 -12.913 -1.015 15.525 1.00 0.00 C ATOM 717 CD LYS A 50 -11.451 -1.349 15.222 1.00 0.00 C ATOM 718 CE LYS A 50 -11.346 -2.359 14.077 1.00 0.00 C ATOM 719 NZ LYS A 50 -10.432 -1.858 13.026 1.00 0.00 N ATOM 0 H LYS A 50 -13.957 0.913 17.595 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.413 1.003 16.204 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.277 0.645 15.341 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.929 0.704 14.223 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.133 -1.244 16.568 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.566 -1.640 14.916 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.913 -0.438 14.959 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.974 -1.754 16.114 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.983 -3.313 14.458 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.333 -2.540 13.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.666 -2.309 12.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.537 -0.827 12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.450 -2.086 13.282 1.00 0.00 H new ATOM 729 N GLU A 51 -13.595 3.422 15.731 1.00 0.00 N ATOM 730 CA GLU A 51 -13.717 4.817 15.343 1.00 0.00 C ATOM 731 C GLU A 51 -12.671 5.664 16.070 1.00 0.00 C ATOM 732 O GLU A 51 -12.302 6.739 15.601 1.00 0.00 O ATOM 733 CB GLU A 51 -15.129 5.340 15.612 1.00 0.00 C ATOM 734 CG GLU A 51 -15.320 6.736 15.016 1.00 0.00 C ATOM 735 CD GLU A 51 -15.895 7.702 16.054 1.00 0.00 C ATOM 736 OE1 GLU A 51 -17.013 7.420 16.535 1.00 0.00 O ATOM 737 OE2 GLU A 51 -15.202 8.701 16.344 1.00 0.00 O ATOM 0 H GLU A 51 -14.479 2.958 15.940 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.536 4.892 14.271 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.862 4.655 15.185 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.310 5.372 16.686 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.364 7.114 14.653 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.988 6.680 14.157 1.00 0.00 H new ATOM 742 N LEU A 52 -12.223 5.147 17.205 1.00 0.00 N ATOM 743 CA LEU A 52 -11.226 5.842 18.003 1.00 0.00 C ATOM 744 C LEU A 52 -9.838 5.301 17.659 1.00 0.00 C ATOM 745 O LEU A 52 -8.957 6.056 17.249 1.00 0.00 O ATOM 746 CB LEU A 52 -11.572 5.750 19.490 1.00 0.00 C ATOM 747 CG LEU A 52 -11.581 7.073 20.259 1.00 0.00 C ATOM 748 CD1 LEU A 52 -12.690 7.996 19.748 1.00 0.00 C ATOM 749 CD2 LEU A 52 -11.687 6.831 21.765 1.00 0.00 C ATOM 0 H LEU A 52 -12.532 4.255 17.591 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.221 6.906 17.766 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.555 5.290 19.586 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.858 5.079 19.968 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.632 7.579 20.080 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.675 8.929 20.311 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.529 8.207 18.691 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.657 7.510 19.878 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.691 7.787 22.288 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.610 6.294 21.983 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.835 6.239 22.099 1.00 0.00 H new ATOM 760 N ARG A 53 -9.684 3.997 17.840 1.00 0.00 N ATOM 761 CA ARG A 53 -8.416 3.346 17.554 1.00 0.00 C ATOM 762 C ARG A 53 -8.043 3.534 16.082 1.00 0.00 C ATOM 763 O ARG A 53 -7.102 4.260 15.764 1.00 0.00 O ATOM 764 CB ARG A 53 -8.481 1.851 17.870 1.00 0.00 C ATOM 765 CG ARG A 53 -7.236 1.126 17.354 1.00 0.00 C ATOM 766 CD ARG A 53 -7.436 0.649 15.915 1.00 0.00 C ATOM 767 NE ARG A 53 -6.861 -0.704 15.746 1.00 0.00 N ATOM 768 CZ ARG A 53 -6.464 -1.209 14.569 1.00 0.00 C ATOM 769 NH1 ARG A 53 -6.579 -0.478 13.453 1.00 0.00 N ATOM 770 NH2 ARG A 53 -5.954 -2.447 14.511 1.00 0.00 N ATOM 0 H ARG A 53 -10.416 3.374 18.181 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.657 3.806 18.186 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.570 1.707 18.947 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.372 1.418 17.416 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.376 1.793 17.403 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.015 0.273 17.996 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.499 0.635 15.672 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.960 1.344 15.223 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.760 -1.288 16.576 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.969 0.464 13.498 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.277 -0.863 12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.868 -3.004 15.361 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.652 -2.833 13.616 1.00 0.00 H new ATOM 781 N ARG A 54 -8.799 2.865 15.224 1.00 0.00 N ATOM 782 CA ARG A 54 -8.559 2.949 13.793 1.00 0.00 C ATOM 783 C ARG A 54 -9.146 4.246 13.232 1.00 0.00 C ATOM 784 O ARG A 54 -8.438 5.029 12.601 1.00 0.00 O ATOM 785 CB ARG A 54 -9.180 1.757 13.060 1.00 0.00 C ATOM 786 CG ARG A 54 -8.530 1.559 11.689 1.00 0.00 C ATOM 787 CD ARG A 54 -9.265 0.485 10.885 1.00 0.00 C ATOM 788 NE ARG A 54 -9.054 0.704 9.436 1.00 0.00 N ATOM 789 CZ ARG A 54 -9.169 -0.253 8.506 1.00 0.00 C ATOM 790 NH1 ARG A 54 -9.495 -1.501 8.868 1.00 0.00 N ATOM 791 NH2 ARG A 54 -8.959 0.038 7.215 1.00 0.00 N ATOM 0 H ARG A 54 -9.578 2.263 15.492 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.480 2.936 13.636 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.059 0.854 13.658 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.251 1.918 12.939 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.539 2.500 11.139 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.486 1.273 11.815 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.904 -0.504 11.168 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.330 0.513 11.114 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.805 1.643 9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.655 -1.721 9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.583 -2.231 8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.711 0.989 6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.047 -0.691 6.507 1.00 0.00 H new ATOM 802 N LEU A 55 -10.434 4.432 13.481 1.00 0.00 N ATOM 803 CA LEU A 55 -11.124 5.620 13.008 1.00 0.00 C ATOM 804 C LEU A 55 -11.721 5.343 11.627 1.00 0.00 C ATOM 805 O LEU A 55 -12.100 6.270 10.913 1.00 0.00 O ATOM 806 CB LEU A 55 -10.189 6.832 13.041 1.00 0.00 C ATOM 807 CG LEU A 55 -10.852 8.183 13.310 1.00 0.00 C ATOM 808 CD1 LEU A 55 -10.216 8.877 14.516 1.00 0.00 C ATOM 809 CD2 LEU A 55 -10.824 9.066 12.061 1.00 0.00 C ATOM 0 H LEU A 55 -11.018 3.780 14.004 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.953 5.867 13.671 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.433 6.662 13.807 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.667 6.890 12.086 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.899 8.006 13.556 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.707 9.836 14.685 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.332 8.250 15.400 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.156 9.041 14.324 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.302 10.021 12.280 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.791 9.238 11.760 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.360 8.569 11.252 1.00 0.00 H new ATOM 820 N PHE A 56 -11.788 4.062 11.293 1.00 0.00 N ATOM 821 CA PHE A 56 -12.333 3.651 10.010 1.00 0.00 C ATOM 822 C PHE A 56 -13.302 2.479 10.176 1.00 0.00 C ATOM 823 O PHE A 56 -14.359 2.448 9.548 1.00 0.00 O ATOM 824 CB PHE A 56 -11.153 3.202 9.145 1.00 0.00 C ATOM 825 CG PHE A 56 -11.205 3.717 7.707 1.00 0.00 C ATOM 826 CD1 PHE A 56 -11.049 5.045 7.452 1.00 0.00 C ATOM 827 CD2 PHE A 56 -11.409 2.848 6.679 1.00 0.00 C ATOM 828 CE1 PHE A 56 -11.097 5.522 6.116 1.00 0.00 C ATOM 829 CE2 PHE A 56 -11.458 3.326 5.344 1.00 0.00 C ATOM 830 CZ PHE A 56 -11.300 4.653 5.090 1.00 0.00 C ATOM 0 H PHE A 56 -11.474 3.296 11.888 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.879 4.478 9.556 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.226 3.541 9.608 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.121 2.113 9.129 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.889 5.736 8.266 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -11.534 1.794 6.880 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.972 6.576 5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.621 2.636 4.529 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.336 5.016 4.074 1.00 0.00 H new ATOM 839 N LEU A 57 -12.906 1.542 11.027 1.00 0.00 N ATOM 840 CA LEU A 57 -13.727 0.371 11.285 1.00 0.00 C ATOM 841 C LEU A 57 -14.794 0.719 12.323 1.00 0.00 C ATOM 842 O LEU A 57 -14.919 0.042 13.342 1.00 0.00 O ATOM 843 CB LEU A 57 -12.851 -0.821 11.679 1.00 0.00 C ATOM 844 CG LEU A 57 -13.421 -2.205 11.363 1.00 0.00 C ATOM 845 CD1 LEU A 57 -14.759 -2.421 12.073 1.00 0.00 C ATOM 846 CD2 LEU A 57 -13.531 -2.423 9.853 1.00 0.00 C ATOM 0 H LEU A 57 -12.028 1.571 11.546 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.251 0.067 10.379 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.889 -0.722 11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.657 -0.766 12.750 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.728 -2.955 11.745 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -15.143 -3.412 11.832 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -14.616 -2.339 13.151 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -15.472 -1.666 11.743 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.939 -3.415 9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.190 -1.668 9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.543 -2.342 9.401 1.00 0.00 H new ATOM 857 N VAL A 58 -15.538 1.775 12.028 1.00 0.00 N ATOM 858 CA VAL A 58 -16.592 2.222 12.925 1.00 0.00 C ATOM 859 C VAL A 58 -17.676 1.145 13.008 1.00 0.00 C ATOM 860 O VAL A 58 -18.757 1.303 12.445 1.00 0.00 O ATOM 861 CB VAL A 58 -17.130 3.578 12.464 1.00 0.00 C ATOM 862 CG1 VAL A 58 -18.203 4.097 13.424 1.00 0.00 C ATOM 863 CG2 VAL A 58 -15.997 4.594 12.307 1.00 0.00 C ATOM 0 H VAL A 58 -15.433 2.334 11.181 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.201 2.367 13.932 1.00 0.00 H new ATOM 0 HB VAL A 58 -17.593 3.440 11.487 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.569 5.062 13.073 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.030 3.388 13.463 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -17.776 4.211 14.420 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.407 5.549 11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.492 4.726 13.264 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -15.284 4.232 11.567 1.00 0.00 H new ATOM 873 N ASP A 59 -17.346 0.074 13.715 1.00 0.00 N ATOM 874 CA ASP A 59 -18.278 -1.029 13.879 1.00 0.00 C ATOM 875 C ASP A 59 -18.239 -1.914 12.632 1.00 0.00 C ATOM 876 O ASP A 59 -18.050 -3.126 12.733 1.00 0.00 O ATOM 877 CB ASP A 59 -19.710 -0.519 14.052 1.00 0.00 C ATOM 878 CG ASP A 59 -20.649 -0.820 12.883 1.00 0.00 C ATOM 879 OD1 ASP A 59 -21.252 -1.915 12.907 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.744 0.051 11.991 1.00 0.00 O ATOM 0 H ASP A 59 -16.447 -0.053 14.180 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.985 -1.589 14.767 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -20.129 -0.958 14.957 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.679 0.560 14.205 1.00 0.00 H new ATOM 884 N ASP A 60 -18.420 -1.276 11.486 1.00 0.00 N ATOM 885 CA ASP A 60 -18.408 -1.989 10.221 1.00 0.00 C ATOM 886 C ASP A 60 -19.127 -3.329 10.389 1.00 0.00 C ATOM 887 O ASP A 60 -20.344 -3.368 10.560 1.00 0.00 O ATOM 888 CB ASP A 60 -16.976 -2.276 9.763 1.00 0.00 C ATOM 889 CG ASP A 60 -16.787 -2.374 8.249 1.00 0.00 C ATOM 890 OD1 ASP A 60 -17.639 -3.033 7.613 1.00 0.00 O ATOM 891 OD2 ASP A 60 -15.798 -1.788 7.760 1.00 0.00 O ATOM 0 H ASP A 60 -18.576 -0.271 11.407 1.00 0.00 H new ATOM 0 HA ASP A 60 -18.906 -1.366 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.324 -1.490 10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.647 -3.211 10.216 1.00 0.00 H new TER 895 ASP A 60