USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 462 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 78 LYS NZ :NH3+ -168:sc= 0.474 (180deg=-0.0146) USER MOD Set 1.2: A 82 GLN : amide:sc= 0.509 K(o=0.98,f=-8.3!) USER MOD Set 2.1: A 29 CYS SG : rot 139:sc= 0.253 USER MOD Set 2.2: A 38 CYS SG : rot -180:sc= 1.49 USER MOD Set 2.3: A 74 CYS SG : rot -131:sc= 1.18 USER MOD Set 2.4: A 77 HIS : no HD1:sc= 0.876 K(o=3.8,f=-7.9!) USER MOD Set 3.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 58 LYS NZ :NH3+ -162:sc= 1.24 (180deg=1.06) USER MOD Set 4.1: A 49 LYS NZ :NH3+ 173:sc= 1.27 (180deg=0) USER MOD Set 4.2: A 52 GLN : amide:sc= 1.03 K(o=2.3,f=-7.1!) USER MOD Set 5.1: A 30 CYS SG : rot 129:sc= 0.0252 USER MOD Set 5.2: A 70 HIS :FLIP no HD1:sc= -0.319 F(o=-0.93,f=-0.29) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.0248 K(o=0.025,f=-0.61) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 77:sc= 1.23 USER MOD Single : A 57 GLN : amide:sc= -0.685 K(o=-0.68,f=-2.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 147:sc= 0.461 (180deg=-1.21!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -31:sc= 0.317 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 27 -3.393 7.883 -6.473 1.00 0.00 N ATOM 48 CA GLN A 27 -3.981 9.071 -7.099 1.00 0.00 C ATOM 49 C GLN A 27 -4.946 9.760 -6.130 1.00 0.00 C ATOM 50 O GLN A 27 -6.111 9.400 -5.988 1.00 0.00 O ATOM 51 CB GLN A 27 -4.631 8.751 -8.455 1.00 0.00 C ATOM 52 CG GLN A 27 -3.650 8.923 -9.628 1.00 0.00 C ATOM 53 CD GLN A 27 -2.516 7.904 -9.626 1.00 0.00 C ATOM 54 OE1 GLN A 27 -1.537 8.013 -8.906 1.00 0.00 O ATOM 55 NE2 GLN A 27 -2.603 6.866 -10.426 1.00 0.00 N ATOM 0 HA GLN A 27 -3.176 9.773 -7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.004 7.727 -8.444 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.492 9.403 -8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.199 8.842 -10.566 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.226 9.927 -9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.414 6.758 -11.035 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.860 6.168 -10.438 1.00 0.00 H new ATOM 64 N SER A 28 -4.411 10.757 -5.441 1.00 0.00 N ATOM 65 CA SER A 28 -5.046 11.530 -4.379 1.00 0.00 C ATOM 66 C SER A 28 -4.507 12.957 -4.412 1.00 0.00 C ATOM 67 O SER A 28 -3.437 13.205 -4.990 1.00 0.00 O ATOM 68 CB SER A 28 -4.781 10.865 -3.024 1.00 0.00 C ATOM 69 OG SER A 28 -3.415 10.516 -2.877 1.00 0.00 O ATOM 0 H SER A 28 -3.457 11.070 -5.620 1.00 0.00 H new ATOM 0 HA SER A 28 -6.125 11.562 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.073 11.542 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.399 9.972 -2.928 1.00 0.00 H new ATOM 0 HG SER A 28 -3.277 10.096 -2.003 1.00 0.00 H new ATOM 75 N CYS A 29 -5.284 13.884 -3.850 1.00 0.00 N ATOM 76 CA CYS A 29 -4.996 15.312 -3.809 1.00 0.00 C ATOM 77 C CYS A 29 -3.604 15.610 -3.217 1.00 0.00 C ATOM 78 O CYS A 29 -2.947 14.769 -2.594 1.00 0.00 O ATOM 79 CB CYS A 29 -6.137 15.981 -3.014 1.00 0.00 C ATOM 80 SG CYS A 29 -6.441 17.706 -3.523 1.00 0.00 S ATOM 0 H CYS A 29 -6.165 13.648 -3.394 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.956 15.721 -4.818 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.052 15.403 -3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.894 15.958 -1.952 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.722 17.923 -3.577 1.00 0.00 H new ATOM 85 N CYS A 30 -3.138 16.837 -3.413 1.00 0.00 N ATOM 86 CA CYS A 30 -1.890 17.309 -2.815 1.00 0.00 C ATOM 87 C CYS A 30 -2.011 18.683 -2.157 1.00 0.00 C ATOM 88 O CYS A 30 -1.027 19.153 -1.576 1.00 0.00 O ATOM 89 CB CYS A 30 -0.748 17.252 -3.834 1.00 0.00 C ATOM 90 SG CYS A 30 0.809 17.068 -2.908 1.00 0.00 S ATOM 0 H CYS A 30 -3.611 17.533 -3.989 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.653 16.626 -1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.887 16.415 -4.519 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.729 18.159 -4.439 1.00 0.00 H new ATOM 0 HG CYS A 30 1.483 16.065 -3.387 1.00 0.00 H new ATOM 96 N LEU A 31 -3.198 19.290 -2.184 1.00 0.00 N ATOM 97 CA LEU A 31 -3.448 20.554 -1.506 1.00 0.00 C ATOM 98 C LEU A 31 -3.613 20.368 0.015 1.00 0.00 C ATOM 99 O LEU A 31 -3.743 19.258 0.540 1.00 0.00 O ATOM 100 CB LEU A 31 -4.686 21.238 -2.129 1.00 0.00 C ATOM 101 CG LEU A 31 -4.657 21.404 -3.663 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.802 22.299 -4.128 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.371 22.036 -4.183 1.00 0.00 C ATOM 0 H LEU A 31 -4.009 18.917 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.580 21.198 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.571 20.661 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.800 22.223 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.741 20.391 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.765 22.404 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.753 21.852 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.707 23.281 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.421 22.122 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.250 23.027 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.521 21.412 -3.907 1.00 0.00 H new ATOM 115 N ILE A 32 -3.625 21.493 0.711 1.00 0.00 N ATOM 116 CA ILE A 32 -3.892 21.663 2.132 1.00 0.00 C ATOM 117 C ILE A 32 -4.821 22.870 2.173 1.00 0.00 C ATOM 118 O ILE A 32 -4.587 23.826 1.430 1.00 0.00 O ATOM 119 CB ILE A 32 -2.579 21.914 2.914 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.801 20.584 3.033 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.843 22.532 4.302 1.00 0.00 C ATOM 122 CD1 ILE A 32 -0.497 20.664 3.838 1.00 0.00 C ATOM 0 H ILE A 32 -3.432 22.387 0.259 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.335 20.783 2.599 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.978 22.638 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.451 19.841 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.570 20.225 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.895 22.691 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.356 23.486 4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.465 21.856 4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.025 19.682 3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.178 21.379 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.717 20.988 4.855 1.00 0.00 H new ATOM 134 N GLU A 33 -5.855 22.843 3.010 1.00 0.00 N ATOM 135 CA GLU A 33 -6.720 24.009 3.185 1.00 0.00 C ATOM 136 C GLU A 33 -6.942 24.295 4.667 1.00 0.00 C ATOM 137 O GLU A 33 -7.367 23.440 5.438 1.00 0.00 O ATOM 138 CB GLU A 33 -8.008 23.890 2.357 1.00 0.00 C ATOM 139 CG GLU A 33 -8.580 25.299 2.127 1.00 0.00 C ATOM 140 CD GLU A 33 -9.488 25.429 0.899 1.00 0.00 C ATOM 141 OE1 GLU A 33 -9.963 24.392 0.372 1.00 0.00 O ATOM 142 OE2 GLU A 33 -9.631 26.589 0.450 1.00 0.00 O ATOM 0 H GLU A 33 -6.114 22.034 3.574 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.217 24.889 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.800 23.406 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.736 23.267 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.143 25.597 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.752 26.000 2.026 1.00 0.00 H new ATOM 149 N ASP A 34 -6.550 25.503 5.076 1.00 0.00 N ATOM 150 CA ASP A 34 -6.511 26.007 6.466 1.00 0.00 C ATOM 151 C ASP A 34 -5.576 25.227 7.423 1.00 0.00 C ATOM 152 O ASP A 34 -5.277 25.678 8.526 1.00 0.00 O ATOM 153 CB ASP A 34 -7.940 26.180 7.027 1.00 0.00 C ATOM 154 CG ASP A 34 -8.183 27.605 7.515 1.00 0.00 C ATOM 155 OD1 ASP A 34 -7.536 28.054 8.493 1.00 0.00 O ATOM 156 OD2 ASP A 34 -8.929 28.362 6.861 1.00 0.00 O ATOM 0 H ASP A 34 -6.230 26.206 4.410 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.044 26.990 6.411 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.667 25.930 6.255 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.096 25.482 7.849 1.00 0.00 H new ATOM 161 N GLY A 35 -5.070 24.078 6.977 1.00 0.00 N ATOM 162 CA GLY A 35 -4.249 23.125 7.721 1.00 0.00 C ATOM 163 C GLY A 35 -4.740 21.682 7.570 1.00 0.00 C ATOM 164 O GLY A 35 -3.965 20.755 7.798 1.00 0.00 O ATOM 0 H GLY A 35 -5.235 23.767 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.217 23.192 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.250 23.397 8.777 1.00 0.00 H new ATOM 168 N GLU A 36 -5.999 21.481 7.162 1.00 0.00 N ATOM 169 CA GLU A 36 -6.539 20.154 6.860 1.00 0.00 C ATOM 170 C GLU A 36 -5.835 19.551 5.634 1.00 0.00 C ATOM 171 O GLU A 36 -5.591 20.234 4.631 1.00 0.00 O ATOM 172 CB GLU A 36 -8.058 20.250 6.639 1.00 0.00 C ATOM 173 CG GLU A 36 -8.740 18.926 6.237 1.00 0.00 C ATOM 174 CD GLU A 36 -8.599 17.784 7.262 1.00 0.00 C ATOM 175 OE1 GLU A 36 -7.443 17.382 7.548 1.00 0.00 O ATOM 176 OE2 GLU A 36 -9.644 17.275 7.718 1.00 0.00 O ATOM 0 H GLU A 36 -6.672 22.237 7.032 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.354 19.491 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.521 20.617 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.252 20.992 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.800 19.117 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.323 18.594 5.286 1.00 0.00 H new ATOM 183 N ARG A 37 -5.519 18.255 5.699 1.00 0.00 N ATOM 184 CA ARG A 37 -4.756 17.549 4.672 1.00 0.00 C ATOM 185 C ARG A 37 -5.693 16.827 3.712 1.00 0.00 C ATOM 186 O ARG A 37 -6.075 15.685 3.945 1.00 0.00 O ATOM 187 CB ARG A 37 -3.730 16.622 5.347 1.00 0.00 C ATOM 188 CG ARG A 37 -2.839 15.849 4.360 1.00 0.00 C ATOM 189 CD ARG A 37 -2.233 16.762 3.288 1.00 0.00 C ATOM 190 NE ARG A 37 -1.263 16.078 2.415 1.00 0.00 N ATOM 191 CZ ARG A 37 -0.947 16.478 1.198 1.00 0.00 C ATOM 192 NH1 ARG A 37 -1.574 17.446 0.599 1.00 0.00 N ATOM 193 NH2 ARG A 37 0.057 15.962 0.553 1.00 0.00 N ATOM 0 H ARG A 37 -5.792 17.659 6.481 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.195 18.257 4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.095 17.217 6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.260 15.908 5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.038 15.354 4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.426 15.067 3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.036 17.172 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.741 17.604 3.775 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.806 15.240 2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.341 17.926 1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.299 17.726 -0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.620 15.231 0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.281 16.288 -0.387 1.00 0.00 H new ATOM 207 N CYS A 38 -6.034 17.495 2.609 1.00 0.00 N ATOM 208 CA CYS A 38 -6.851 16.930 1.540 1.00 0.00 C ATOM 209 C CYS A 38 -6.243 15.614 1.006 1.00 0.00 C ATOM 210 O CYS A 38 -5.138 15.585 0.461 1.00 0.00 O ATOM 211 CB CYS A 38 -7.053 18.004 0.459 1.00 0.00 C ATOM 212 SG CYS A 38 -8.570 17.626 -0.464 1.00 0.00 S ATOM 0 H CYS A 38 -5.745 18.457 2.433 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.834 16.650 1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.125 18.991 0.916 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.197 18.027 -0.215 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.754 18.526 -1.384 1.00 0.00 H new ATOM 217 N VAL A 39 -6.990 14.521 1.181 1.00 0.00 N ATOM 218 CA VAL A 39 -6.632 13.134 0.807 1.00 0.00 C ATOM 219 C VAL A 39 -7.695 12.489 -0.090 1.00 0.00 C ATOM 220 O VAL A 39 -7.681 11.282 -0.332 1.00 0.00 O ATOM 221 CB VAL A 39 -6.372 12.256 2.050 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.053 12.629 2.725 1.00 0.00 C ATOM 223 CG2 VAL A 39 -7.513 12.319 3.074 1.00 0.00 C ATOM 0 H VAL A 39 -7.914 14.574 1.611 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.706 13.197 0.236 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.313 11.231 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.898 11.993 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.232 12.488 2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.087 13.673 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.273 11.682 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.640 13.347 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.437 11.973 2.611 1.00 0.00 H new ATOM 233 N ARG A 40 -8.645 13.289 -0.588 1.00 0.00 N ATOM 234 CA ARG A 40 -9.658 12.843 -1.551 1.00 0.00 C ATOM 235 C ARG A 40 -8.983 12.288 -2.822 1.00 0.00 C ATOM 236 O ARG A 40 -7.901 12.769 -3.184 1.00 0.00 O ATOM 237 CB ARG A 40 -10.579 14.017 -1.906 1.00 0.00 C ATOM 238 CG ARG A 40 -11.411 14.569 -0.739 1.00 0.00 C ATOM 239 CD ARG A 40 -12.382 15.658 -1.226 1.00 0.00 C ATOM 240 NE ARG A 40 -13.552 15.098 -1.933 1.00 0.00 N ATOM 241 CZ ARG A 40 -13.690 14.990 -3.242 1.00 0.00 C ATOM 242 NH1 ARG A 40 -12.754 15.330 -4.072 1.00 0.00 N ATOM 243 NH2 ARG A 40 -14.788 14.541 -3.786 1.00 0.00 N ATOM 0 H ARG A 40 -8.733 14.272 -0.332 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.251 12.046 -1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.971 14.825 -2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.258 13.699 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.971 13.759 -0.271 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.749 14.980 0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.723 16.244 -0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.853 16.341 -1.890 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.325 14.764 -1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.870 15.697 -3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.902 15.230 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.572 14.261 -3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.862 14.470 -4.801 1.00 0.00 H new ATOM 257 N PRO A 41 -9.607 11.323 -3.525 1.00 0.00 N ATOM 258 CA PRO A 41 -9.046 10.757 -4.750 1.00 0.00 C ATOM 259 C PRO A 41 -8.865 11.838 -5.823 1.00 0.00 C ATOM 260 O PRO A 41 -9.706 12.726 -5.971 1.00 0.00 O ATOM 261 CB PRO A 41 -10.015 9.651 -5.184 1.00 0.00 C ATOM 262 CG PRO A 41 -11.345 10.070 -4.559 1.00 0.00 C ATOM 263 CD PRO A 41 -10.913 10.737 -3.254 1.00 0.00 C ATOM 0 HA PRO A 41 -8.049 10.346 -4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.086 9.584 -6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.694 8.673 -4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.895 10.758 -5.202 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.995 9.213 -4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.629 11.500 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.856 10.011 -2.443 1.00 0.00 H new ATOM 271 N ALA A 42 -7.766 11.752 -6.572 1.00 0.00 N ATOM 272 CA ALA A 42 -7.453 12.675 -7.655 1.00 0.00 C ATOM 273 C ALA A 42 -7.845 12.053 -8.993 1.00 0.00 C ATOM 274 O ALA A 42 -7.324 11.009 -9.386 1.00 0.00 O ATOM 275 CB ALA A 42 -5.970 13.053 -7.629 1.00 0.00 C ATOM 0 H ALA A 42 -7.060 11.028 -6.439 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.027 13.592 -7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.756 13.743 -8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.733 13.531 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.363 12.155 -7.745 1.00 0.00 H new ATOM 281 N GLY A 43 -8.778 12.707 -9.679 1.00 0.00 N ATOM 282 CA GLY A 43 -9.195 12.342 -11.026 1.00 0.00 C ATOM 283 C GLY A 43 -8.364 13.096 -12.065 1.00 0.00 C ATOM 284 O GLY A 43 -7.186 13.392 -11.868 1.00 0.00 O ATOM 0 H GLY A 43 -9.272 13.518 -9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.081 11.268 -11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.252 12.571 -11.161 1.00 0.00 H new ATOM 288 N ASN A 44 -9.006 13.462 -13.173 1.00 0.00 N ATOM 289 CA ASN A 44 -8.445 14.256 -14.274 1.00 0.00 C ATOM 290 C ASN A 44 -8.165 15.738 -13.903 1.00 0.00 C ATOM 291 O ASN A 44 -8.573 16.645 -14.626 1.00 0.00 O ATOM 292 CB ASN A 44 -9.385 14.128 -15.494 1.00 0.00 C ATOM 293 CG ASN A 44 -9.710 12.690 -15.847 1.00 0.00 C ATOM 294 OD1 ASN A 44 -10.583 12.073 -15.263 1.00 0.00 O ATOM 295 ND2 ASN A 44 -9.013 12.096 -16.783 1.00 0.00 N ATOM 0 H ASN A 44 -9.978 13.202 -13.339 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.461 13.854 -14.516 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.312 14.664 -15.289 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.922 14.611 -16.354 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.202 11.122 -17.019 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.281 12.607 -17.276 1.00 0.00 H new ATOM 302 N ALA A 45 -7.527 16.006 -12.755 1.00 0.00 N ATOM 303 CA ALA A 45 -7.213 17.344 -12.252 1.00 0.00 C ATOM 304 C ALA A 45 -5.793 17.412 -11.653 1.00 0.00 C ATOM 305 O ALA A 45 -5.390 16.584 -10.834 1.00 0.00 O ATOM 306 CB ALA A 45 -8.285 17.760 -11.232 1.00 0.00 C ATOM 0 H ALA A 45 -7.205 15.267 -12.130 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.223 18.048 -13.084 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.059 18.756 -10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.262 17.769 -11.715 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.295 17.050 -10.405 1.00 0.00 H new ATOM 312 N SER A 46 -5.030 18.430 -12.056 1.00 0.00 N ATOM 313 CA SER A 46 -3.623 18.587 -11.676 1.00 0.00 C ATOM 314 C SER A 46 -3.235 20.044 -11.430 1.00 0.00 C ATOM 315 O SER A 46 -3.855 20.993 -11.912 1.00 0.00 O ATOM 316 CB SER A 46 -2.689 17.934 -12.712 1.00 0.00 C ATOM 317 OG SER A 46 -3.079 18.221 -14.043 1.00 0.00 O ATOM 0 H SER A 46 -5.374 19.176 -12.661 1.00 0.00 H new ATOM 0 HA SER A 46 -3.500 18.066 -10.726 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.670 18.284 -12.551 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.682 16.854 -12.562 1.00 0.00 H new ATOM 0 HG SER A 46 -2.458 17.789 -14.666 1.00 0.00 H new ATOM 323 N PHE A 47 -2.161 20.219 -10.663 1.00 0.00 N ATOM 324 CA PHE A 47 -1.676 21.514 -10.188 1.00 0.00 C ATOM 325 C PHE A 47 -0.574 22.109 -11.079 1.00 0.00 C ATOM 326 O PHE A 47 0.557 22.356 -10.656 1.00 0.00 O ATOM 327 CB PHE A 47 -1.303 21.406 -8.705 1.00 0.00 C ATOM 328 CG PHE A 47 -1.243 22.764 -8.050 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.403 23.560 -8.017 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.036 23.258 -7.527 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.350 24.849 -7.474 1.00 0.00 C ATOM 332 CE2 PHE A 47 0.005 24.541 -6.958 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.157 25.333 -6.919 1.00 0.00 C ATOM 0 H PHE A 47 -1.586 19.439 -10.345 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.482 22.243 -10.269 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.034 20.784 -8.189 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.337 20.910 -8.607 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.333 23.177 -8.410 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.858 22.653 -7.563 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.231 25.473 -7.483 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.930 24.920 -6.550 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.130 26.311 -6.463 1.00 0.00 H new ATOM 343 N SER A 48 -0.902 22.306 -12.357 1.00 0.00 N ATOM 344 CA SER A 48 0.031 22.894 -13.326 1.00 0.00 C ATOM 345 C SER A 48 0.402 24.335 -12.957 1.00 0.00 C ATOM 346 O SER A 48 -0.425 25.093 -12.456 1.00 0.00 O ATOM 347 CB SER A 48 -0.573 22.891 -14.728 1.00 0.00 C ATOM 348 OG SER A 48 -0.470 21.613 -15.308 1.00 0.00 O ATOM 0 H SER A 48 -1.812 22.066 -12.749 1.00 0.00 H new ATOM 0 HA SER A 48 0.932 22.281 -13.306 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.620 23.191 -14.680 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.060 23.622 -15.353 1.00 0.00 H new ATOM 0 HG SER A 48 -0.863 21.628 -16.205 1.00 0.00 H new ATOM 354 N LYS A 49 1.621 24.771 -13.299 1.00 0.00 N ATOM 355 CA LYS A 49 2.182 26.093 -12.939 1.00 0.00 C ATOM 356 C LYS A 49 1.245 27.295 -13.155 1.00 0.00 C ATOM 357 O LYS A 49 1.240 28.213 -12.340 1.00 0.00 O ATOM 358 CB LYS A 49 3.509 26.295 -13.694 1.00 0.00 C ATOM 359 CG LYS A 49 4.594 25.238 -13.399 1.00 0.00 C ATOM 360 CD LYS A 49 5.080 25.188 -11.940 1.00 0.00 C ATOM 361 CE LYS A 49 5.856 26.456 -11.564 1.00 0.00 C ATOM 362 NZ LYS A 49 6.174 26.482 -10.118 1.00 0.00 N ATOM 0 H LYS A 49 2.267 24.204 -13.848 1.00 0.00 H new ATOM 0 HA LYS A 49 2.338 26.069 -11.860 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.304 26.295 -14.765 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.905 27.280 -13.445 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.205 24.256 -13.670 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.451 25.430 -14.044 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.225 25.072 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.716 24.315 -11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.778 26.506 -12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.268 27.336 -11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.799 27.288 -9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.295 26.578 -9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.652 25.598 -9.852 1.00 0.00 H new ATOM 376 N ARG A 50 0.420 27.293 -14.213 1.00 0.00 N ATOM 377 CA ARG A 50 -0.604 28.329 -14.475 1.00 0.00 C ATOM 378 C ARG A 50 -1.645 28.459 -13.349 1.00 0.00 C ATOM 379 O ARG A 50 -2.042 29.574 -13.013 1.00 0.00 O ATOM 380 CB ARG A 50 -1.269 28.047 -15.838 1.00 0.00 C ATOM 381 CG ARG A 50 -2.301 29.118 -16.248 1.00 0.00 C ATOM 382 CD ARG A 50 -2.968 28.827 -17.603 1.00 0.00 C ATOM 383 NE ARG A 50 -2.082 29.112 -18.748 1.00 0.00 N ATOM 384 CZ ARG A 50 -1.460 28.238 -19.522 1.00 0.00 C ATOM 385 NH1 ARG A 50 -1.520 26.952 -19.317 1.00 0.00 N ATOM 386 NH2 ARG A 50 -0.756 28.662 -20.531 1.00 0.00 N ATOM 0 H ARG A 50 0.442 26.562 -14.925 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.101 29.295 -14.505 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.497 27.984 -16.605 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.760 27.075 -15.800 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.070 29.186 -15.479 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.809 30.089 -16.293 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.272 27.781 -17.636 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.875 29.426 -17.693 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.932 30.097 -18.968 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.062 26.585 -18.535 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.025 26.313 -19.939 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.687 29.662 -20.720 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.273 27.994 -21.133 1.00 0.00 H new ATOM 400 N VAL A 51 -2.062 27.345 -12.746 1.00 0.00 N ATOM 401 CA VAL A 51 -3.063 27.295 -11.667 1.00 0.00 C ATOM 402 C VAL A 51 -2.584 28.069 -10.429 1.00 0.00 C ATOM 403 O VAL A 51 -3.377 28.808 -9.845 1.00 0.00 O ATOM 404 CB VAL A 51 -3.466 25.830 -11.348 1.00 0.00 C ATOM 405 CG1 VAL A 51 -4.662 25.801 -10.387 1.00 0.00 C ATOM 406 CG2 VAL A 51 -3.895 25.069 -12.615 1.00 0.00 C ATOM 0 H VAL A 51 -1.705 26.423 -12.998 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.967 27.797 -12.011 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.589 25.357 -10.906 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.932 24.767 -10.173 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.395 26.306 -9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.510 26.310 -10.846 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.169 24.048 -12.351 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.751 25.569 -13.068 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.069 25.050 -13.325 1.00 0.00 H new ATOM 416 N GLN A 52 -1.283 28.034 -10.103 1.00 0.00 N ATOM 417 CA GLN A 52 -0.697 28.813 -8.997 1.00 0.00 C ATOM 418 C GLN A 52 -1.022 30.313 -9.080 1.00 0.00 C ATOM 419 O GLN A 52 -1.349 30.931 -8.063 1.00 0.00 O ATOM 420 CB GLN A 52 0.833 28.640 -8.947 1.00 0.00 C ATOM 421 CG GLN A 52 1.293 27.230 -8.581 1.00 0.00 C ATOM 422 CD GLN A 52 2.788 27.177 -8.287 1.00 0.00 C ATOM 423 OE1 GLN A 52 3.633 26.932 -9.143 1.00 0.00 O ATOM 424 NE2 GLN A 52 3.179 27.422 -7.053 1.00 0.00 N ATOM 0 H GLN A 52 -0.602 27.461 -10.602 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.150 28.418 -8.088 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.249 28.905 -9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.243 29.343 -8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.739 26.883 -7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.060 26.548 -9.399 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.489 27.627 -6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.172 27.406 -6.820 1.00 0.00 H new ATOM 433 N LYS A 53 -0.983 30.905 -10.284 1.00 0.00 N ATOM 434 CA LYS A 53 -1.368 32.310 -10.512 1.00 0.00 C ATOM 435 C LYS A 53 -2.837 32.551 -10.156 1.00 0.00 C ATOM 436 O LYS A 53 -3.147 33.477 -9.409 1.00 0.00 O ATOM 437 CB LYS A 53 -1.091 32.683 -11.982 1.00 0.00 C ATOM 438 CG LYS A 53 -1.212 34.184 -12.294 1.00 0.00 C ATOM 439 CD LYS A 53 -0.137 35.079 -11.660 1.00 0.00 C ATOM 440 CE LYS A 53 1.220 34.923 -12.366 1.00 0.00 C ATOM 441 NZ LYS A 53 2.236 35.886 -11.863 1.00 0.00 N ATOM 0 H LYS A 53 -0.683 30.422 -11.131 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.771 32.947 -9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.087 32.350 -12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.785 32.135 -12.619 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.179 34.316 -13.375 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.191 34.529 -11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.455 36.120 -11.709 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.030 34.827 -10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.586 33.906 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.087 35.067 -13.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.133 35.741 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.902 36.858 -12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.385 35.733 -10.845 1.00 0.00 H new ATOM 455 N SER A 54 -3.712 31.657 -10.618 1.00 0.00 N ATOM 456 CA SER A 54 -5.159 31.693 -10.359 1.00 0.00 C ATOM 457 C SER A 54 -5.548 31.641 -8.877 1.00 0.00 C ATOM 458 O SER A 54 -6.594 32.170 -8.499 1.00 0.00 O ATOM 459 CB SER A 54 -5.877 30.547 -11.069 1.00 0.00 C ATOM 460 OG SER A 54 -7.245 30.884 -11.256 1.00 0.00 O ATOM 0 H SER A 54 -3.431 30.866 -11.198 1.00 0.00 H new ATOM 0 HA SER A 54 -5.471 32.662 -10.749 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.406 30.350 -12.032 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.794 29.633 -10.481 1.00 0.00 H new ATOM 0 HG SER A 54 -7.704 30.148 -11.713 1.00 0.00 H new ATOM 466 N ILE A 55 -4.736 31.006 -8.032 1.00 0.00 N ATOM 467 CA ILE A 55 -4.938 30.985 -6.576 1.00 0.00 C ATOM 468 C ILE A 55 -4.303 32.232 -5.941 1.00 0.00 C ATOM 469 O ILE A 55 -4.955 32.930 -5.161 1.00 0.00 O ATOM 470 CB ILE A 55 -4.370 29.675 -5.987 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.121 28.460 -6.587 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.513 29.660 -4.460 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.688 27.118 -5.993 1.00 0.00 C ATOM 0 H ILE A 55 -3.913 30.487 -8.337 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.004 31.011 -6.349 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.312 29.614 -6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.191 28.590 -6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.960 28.440 -7.665 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.107 28.729 -4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.967 30.503 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.567 29.738 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.256 26.313 -6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.624 26.965 -6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.875 27.118 -4.919 1.00 0.00 H new ATOM 485 N SER A 56 -3.075 32.573 -6.348 1.00 0.00 N ATOM 486 CA SER A 56 -2.328 33.744 -5.858 1.00 0.00 C ATOM 487 C SER A 56 -3.143 35.035 -5.930 1.00 0.00 C ATOM 488 O SER A 56 -3.278 35.739 -4.932 1.00 0.00 O ATOM 489 CB SER A 56 -1.045 33.950 -6.669 1.00 0.00 C ATOM 490 OG SER A 56 -0.174 32.848 -6.556 1.00 0.00 O ATOM 0 H SER A 56 -2.559 32.033 -7.042 1.00 0.00 H new ATOM 0 HA SER A 56 -2.095 33.533 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.299 34.107 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.538 34.851 -6.325 1.00 0.00 H new ATOM 0 HG SER A 56 -0.502 32.113 -7.115 1.00 0.00 H new ATOM 496 N GLN A 57 -3.758 35.304 -7.087 1.00 0.00 N ATOM 497 CA GLN A 57 -4.590 36.489 -7.349 1.00 0.00 C ATOM 498 C GLN A 57 -5.960 36.495 -6.637 1.00 0.00 C ATOM 499 O GLN A 57 -6.734 37.443 -6.798 1.00 0.00 O ATOM 500 CB GLN A 57 -4.723 36.656 -8.869 1.00 0.00 C ATOM 501 CG GLN A 57 -5.598 35.581 -9.538 1.00 0.00 C ATOM 502 CD GLN A 57 -5.308 35.401 -11.027 1.00 0.00 C ATOM 503 OE1 GLN A 57 -4.265 35.736 -11.553 1.00 0.00 O ATOM 504 NE2 GLN A 57 -6.227 34.840 -11.780 1.00 0.00 N ATOM 0 H GLN A 57 -3.690 34.684 -7.894 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.083 37.349 -6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.145 37.638 -9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.729 36.632 -9.316 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.445 34.630 -9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.647 35.846 -9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.114 34.547 -11.370 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.054 34.697 -12.775 1.00 0.00 H new ATOM 513 N LYS A 58 -6.264 35.438 -5.876 1.00 0.00 N ATOM 514 CA LYS A 58 -7.447 35.290 -5.006 1.00 0.00 C ATOM 515 C LYS A 58 -7.080 35.265 -3.511 1.00 0.00 C ATOM 516 O LYS A 58 -7.970 35.457 -2.695 1.00 0.00 O ATOM 517 CB LYS A 58 -8.209 33.991 -5.336 1.00 0.00 C ATOM 518 CG LYS A 58 -9.376 34.118 -6.318 1.00 0.00 C ATOM 519 CD LYS A 58 -8.990 34.305 -7.794 1.00 0.00 C ATOM 520 CE LYS A 58 -9.742 33.324 -8.716 1.00 0.00 C ATOM 521 NZ LYS A 58 -9.365 31.904 -8.461 1.00 0.00 N ATOM 0 H LYS A 58 -5.662 34.615 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.074 36.161 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.498 33.271 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.590 33.572 -4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.996 33.225 -6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.993 34.964 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.208 35.329 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.916 34.160 -7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.816 33.444 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.531 33.572 -9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.644 31.319 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.336 31.837 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.852 31.564 -7.607 1.00 0.00 H new ATOM 535 N LYS A 59 -5.804 35.039 -3.170 1.00 0.00 N ATOM 536 CA LYS A 59 -5.274 34.871 -1.800 1.00 0.00 C ATOM 537 C LYS A 59 -6.012 33.812 -0.958 1.00 0.00 C ATOM 538 O LYS A 59 -6.143 33.964 0.250 1.00 0.00 O ATOM 539 CB LYS A 59 -5.135 36.242 -1.094 1.00 0.00 C ATOM 540 CG LYS A 59 -4.061 37.177 -1.686 1.00 0.00 C ATOM 541 CD LYS A 59 -2.654 37.008 -1.082 1.00 0.00 C ATOM 542 CE LYS A 59 -2.045 35.618 -1.310 1.00 0.00 C ATOM 543 NZ LYS A 59 -0.675 35.519 -0.746 1.00 0.00 N ATOM 0 H LYS A 59 -5.071 34.964 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.272 34.453 -1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.098 36.751 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.905 36.070 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.003 37.006 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.380 38.210 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.992 37.760 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.703 37.202 -0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.683 34.862 -0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.015 35.405 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.296 34.566 -0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.060 36.224 -1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.707 35.698 0.278 1.00 0.00 H new ATOM 557 N LEU A 60 -6.467 32.725 -1.593 1.00 0.00 N ATOM 558 CA LEU A 60 -7.058 31.573 -0.895 1.00 0.00 C ATOM 559 C LEU A 60 -6.041 30.927 0.065 1.00 0.00 C ATOM 560 O LEU A 60 -4.832 31.014 -0.158 1.00 0.00 O ATOM 561 CB LEU A 60 -7.522 30.525 -1.921 1.00 0.00 C ATOM 562 CG LEU A 60 -8.787 30.888 -2.711 1.00 0.00 C ATOM 563 CD1 LEU A 60 -9.018 29.862 -3.824 1.00 0.00 C ATOM 564 CD2 LEU A 60 -10.007 30.965 -1.796 1.00 0.00 C ATOM 0 H LEU A 60 -6.436 32.618 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.909 31.928 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.711 30.350 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.698 29.584 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.642 31.872 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.917 30.125 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.162 29.858 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.140 28.871 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.887 31.224 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.163 29.999 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.843 31.727 -1.034 1.00 0.00 H new ATOM 576 N LYS A 61 -6.544 30.227 1.086 1.00 0.00 N ATOM 577 CA LYS A 61 -5.765 29.533 2.131 1.00 0.00 C ATOM 578 C LYS A 61 -5.354 28.108 1.711 1.00 0.00 C ATOM 579 O LYS A 61 -5.325 27.195 2.536 1.00 0.00 O ATOM 580 CB LYS A 61 -6.570 29.548 3.446 1.00 0.00 C ATOM 581 CG LYS A 61 -6.918 30.980 3.897 1.00 0.00 C ATOM 582 CD LYS A 61 -7.677 31.010 5.226 1.00 0.00 C ATOM 583 CE LYS A 61 -6.773 30.647 6.407 1.00 0.00 C ATOM 584 NZ LYS A 61 -7.571 30.532 7.644 1.00 0.00 N ATOM 0 H LYS A 61 -7.550 30.120 1.218 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.827 30.066 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.489 28.977 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.995 29.052 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.000 31.560 3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.520 31.463 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.097 32.004 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.514 30.313 5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.261 29.706 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.003 31.408 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.156 29.802 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.572 31.445 8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.548 30.268 7.404 1.00 0.00 H new ATOM 598 N LEU A 62 -5.085 27.939 0.413 1.00 0.00 N ATOM 599 CA LEU A 62 -4.637 26.697 -0.216 1.00 0.00 C ATOM 600 C LEU A 62 -3.099 26.653 -0.251 1.00 0.00 C ATOM 601 O LEU A 62 -2.481 27.548 -0.831 1.00 0.00 O ATOM 602 CB LEU A 62 -5.212 26.610 -1.647 1.00 0.00 C ATOM 603 CG LEU A 62 -6.716 26.347 -1.739 1.00 0.00 C ATOM 604 CD1 LEU A 62 -7.125 26.452 -3.210 1.00 0.00 C ATOM 605 CD2 LEU A 62 -7.056 24.940 -1.268 1.00 0.00 C ATOM 0 H LEU A 62 -5.179 28.702 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.994 25.845 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.992 27.543 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.689 25.817 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.238 27.071 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.195 26.268 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.894 27.450 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.577 25.712 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.132 24.781 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.536 24.212 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.744 24.818 -0.231 1.00 0.00 H new ATOM 617 N ASP A 63 -2.508 25.595 0.312 1.00 0.00 N ATOM 618 CA ASP A 63 -1.054 25.355 0.346 1.00 0.00 C ATOM 619 C ASP A 63 -0.650 24.005 -0.284 1.00 0.00 C ATOM 620 O ASP A 63 -1.501 23.159 -0.571 1.00 0.00 O ATOM 621 CB ASP A 63 -0.511 25.505 1.779 1.00 0.00 C ATOM 622 CG ASP A 63 1.022 25.558 1.766 1.00 0.00 C ATOM 623 OD1 ASP A 63 1.565 26.322 0.933 1.00 0.00 O ATOM 624 OD2 ASP A 63 1.659 24.737 2.460 1.00 0.00 O ATOM 0 H ASP A 63 -3.041 24.857 0.772 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.590 26.120 -0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.909 26.413 2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.847 24.669 2.392 1.00 0.00 H new ATOM 629 N ILE A 64 0.654 23.788 -0.502 1.00 0.00 N ATOM 630 CA ILE A 64 1.208 22.632 -1.215 1.00 0.00 C ATOM 631 C ILE A 64 2.222 21.868 -0.367 1.00 0.00 C ATOM 632 O ILE A 64 3.338 22.335 -0.132 1.00 0.00 O ATOM 633 CB ILE A 64 1.871 23.084 -2.540 1.00 0.00 C ATOM 634 CG1 ILE A 64 0.957 23.951 -3.434 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.397 21.866 -3.328 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.315 23.251 -3.915 1.00 0.00 C ATOM 0 H ILE A 64 1.374 24.433 -0.176 1.00 0.00 H new ATOM 0 HA ILE A 64 0.378 21.959 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 64 2.706 23.723 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.676 24.847 -2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.527 24.278 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.859 22.205 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.136 21.335 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.568 21.197 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.894 23.935 -4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.047 22.370 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.911 22.948 -3.054 1.00 0.00 H new ATOM 648 N ASP A 65 1.850 20.656 0.047 1.00 0.00 N ATOM 649 CA ASP A 65 2.758 19.731 0.727 1.00 0.00 C ATOM 650 C ASP A 65 3.845 19.218 -0.243 1.00 0.00 C ATOM 651 O ASP A 65 3.640 19.044 -1.447 1.00 0.00 O ATOM 652 CB ASP A 65 1.963 18.559 1.309 1.00 0.00 C ATOM 653 CG ASP A 65 2.867 17.421 1.802 1.00 0.00 C ATOM 654 OD1 ASP A 65 3.899 17.710 2.451 1.00 0.00 O ATOM 655 OD2 ASP A 65 2.607 16.266 1.393 1.00 0.00 O ATOM 0 H ASP A 65 0.908 20.287 -0.080 1.00 0.00 H new ATOM 0 HA ASP A 65 3.255 20.262 1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.350 18.916 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.282 18.174 0.550 1.00 0.00 H new ATOM 660 N LYS A 66 5.034 18.949 0.303 1.00 0.00 N ATOM 661 CA LYS A 66 6.216 18.500 -0.431 1.00 0.00 C ATOM 662 C LYS A 66 6.452 16.996 -0.246 1.00 0.00 C ATOM 663 O LYS A 66 7.149 16.424 -1.081 1.00 0.00 O ATOM 664 CB LYS A 66 7.441 19.340 -0.006 1.00 0.00 C ATOM 665 CG LYS A 66 7.454 20.809 -0.496 1.00 0.00 C ATOM 666 CD LYS A 66 6.231 21.639 -0.084 1.00 0.00 C ATOM 667 CE LYS A 66 6.306 23.154 -0.311 1.00 0.00 C ATOM 668 NZ LYS A 66 6.826 23.880 0.872 1.00 0.00 N ATOM 0 H LYS A 66 5.204 19.042 1.304 1.00 0.00 H new ATOM 0 HA LYS A 66 6.052 18.654 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.498 19.339 1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.341 18.847 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.351 21.296 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.528 20.813 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.366 21.258 -0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.045 21.465 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.946 23.358 -1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.313 23.531 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.857 24.899 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.202 23.709 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.784 23.542 1.093 1.00 0.00 H new ATOM 682 N SER A 67 5.841 16.348 0.756 1.00 0.00 N ATOM 683 CA SER A 67 6.049 14.934 1.125 1.00 0.00 C ATOM 684 C SER A 67 5.732 13.901 0.030 1.00 0.00 C ATOM 685 O SER A 67 6.120 12.743 0.165 1.00 0.00 O ATOM 686 CB SER A 67 5.230 14.602 2.378 1.00 0.00 C ATOM 687 OG SER A 67 5.701 13.395 2.942 1.00 0.00 O ATOM 0 H SER A 67 5.160 16.811 1.358 1.00 0.00 H new ATOM 0 HA SER A 67 7.121 14.849 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.311 15.411 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.175 14.509 2.122 1.00 0.00 H new ATOM 0 HG SER A 67 6.048 12.815 2.232 1.00 0.00 H new ATOM 693 N VAL A 68 5.058 14.293 -1.059 1.00 0.00 N ATOM 694 CA VAL A 68 4.785 13.424 -2.227 1.00 0.00 C ATOM 695 C VAL A 68 5.270 14.056 -3.545 1.00 0.00 C ATOM 696 O VAL A 68 5.208 13.419 -4.592 1.00 0.00 O ATOM 697 CB VAL A 68 3.285 13.020 -2.283 1.00 0.00 C ATOM 698 CG1 VAL A 68 2.993 11.879 -3.274 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.768 12.535 -0.920 1.00 0.00 C ATOM 0 H VAL A 68 4.679 15.234 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 68 5.363 12.509 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 68 2.783 13.933 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.928 11.649 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.286 12.185 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.559 10.993 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.716 12.263 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.343 11.665 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.878 13.332 -0.185 1.00 0.00 H new ATOM 709 N ARG A 69 5.760 15.308 -3.523 1.00 0.00 N ATOM 710 CA ARG A 69 6.189 16.157 -4.666 1.00 0.00 C ATOM 711 C ARG A 69 5.268 16.265 -5.907 1.00 0.00 C ATOM 712 O ARG A 69 5.561 17.101 -6.761 1.00 0.00 O ATOM 713 CB ARG A 69 7.617 15.741 -5.093 1.00 0.00 C ATOM 714 CG ARG A 69 8.755 16.406 -4.302 1.00 0.00 C ATOM 715 CD ARG A 69 8.824 17.926 -4.545 1.00 0.00 C ATOM 716 NE ARG A 69 10.212 18.411 -4.695 1.00 0.00 N ATOM 717 CZ ARG A 69 10.938 18.374 -5.801 1.00 0.00 C ATOM 718 NH1 ARG A 69 10.493 17.859 -6.914 1.00 0.00 N ATOM 719 NH2 ARG A 69 12.148 18.859 -5.813 1.00 0.00 N ATOM 0 H ARG A 69 5.879 15.799 -2.637 1.00 0.00 H new ATOM 0 HA ARG A 69 6.137 17.168 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.709 14.660 -4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.746 15.974 -6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.614 16.216 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.705 15.951 -4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.257 18.174 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.348 18.446 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 69 10.652 18.813 -3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.553 17.465 -6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.085 17.850 -7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.541 19.270 -4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.702 18.827 -6.669 1.00 0.00 H new ATOM 733 N HIS A 70 4.198 15.472 -6.035 1.00 0.00 N ATOM 734 CA HIS A 70 3.310 15.391 -7.208 1.00 0.00 C ATOM 735 C HIS A 70 2.343 16.581 -7.357 1.00 0.00 C ATOM 736 O HIS A 70 2.014 17.245 -6.379 1.00 0.00 O ATOM 737 CB HIS A 70 2.600 14.011 -7.206 1.00 0.00 C ATOM 738 CG HIS A 70 1.475 13.751 -6.210 1.00 0.00 C ATOM 739 ND1 HIS A 70 1.102 14.517 -5.139 1.00 0.00 N flip ATOM 740 CD2 HIS A 70 0.618 12.656 -6.235 1.00 0.00 C flip ATOM 741 CE1 HIS A 70 0.006 13.906 -4.544 1.00 0.00 C flip ATOM 742 NE2 HIS A 70 -0.275 12.782 -5.229 1.00 0.00 N flip ATOM 0 H HIS A 70 3.911 14.838 -5.290 1.00 0.00 H new ATOM 0 HA HIS A 70 3.927 15.470 -8.103 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.196 13.849 -8.205 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.363 13.250 -7.043 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.659 11.840 -6.941 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.529 14.270 -3.680 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.035 12.134 -5.023 1.00 0.00 H new ATOM 751 N LEU A 71 1.830 16.804 -8.573 1.00 0.00 N ATOM 752 CA LEU A 71 0.946 17.927 -8.922 1.00 0.00 C ATOM 753 C LEU A 71 -0.485 17.443 -9.196 1.00 0.00 C ATOM 754 O LEU A 71 -0.994 17.634 -10.293 1.00 0.00 O ATOM 755 CB LEU A 71 1.495 18.694 -10.147 1.00 0.00 C ATOM 756 CG LEU A 71 2.923 19.245 -10.036 1.00 0.00 C ATOM 757 CD1 LEU A 71 3.262 20.020 -11.313 1.00 0.00 C ATOM 758 CD2 LEU A 71 3.095 20.187 -8.845 1.00 0.00 C ATOM 0 H LEU A 71 2.023 16.191 -9.365 1.00 0.00 H new ATOM 0 HA LEU A 71 0.918 18.605 -8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.453 18.030 -11.010 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.824 19.528 -10.354 1.00 0.00 H new ATOM 0 HG LEU A 71 3.589 18.393 -9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.276 20.414 -11.241 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.192 19.353 -12.173 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.560 20.845 -11.435 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.123 20.548 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.416 21.033 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.869 19.652 -7.922 1.00 0.00 H new ATOM 770 N TYR A 72 -1.135 16.801 -8.230 1.00 0.00 N ATOM 771 CA TYR A 72 -2.489 16.260 -8.395 1.00 0.00 C ATOM 772 C TYR A 72 -3.462 16.908 -7.421 1.00 0.00 C ATOM 773 O TYR A 72 -3.062 17.265 -6.311 1.00 0.00 O ATOM 774 CB TYR A 72 -2.464 14.741 -8.213 1.00 0.00 C ATOM 775 CG TYR A 72 -2.053 14.039 -9.486 1.00 0.00 C ATOM 776 CD1 TYR A 72 -2.977 13.959 -10.544 1.00 0.00 C ATOM 777 CD2 TYR A 72 -0.748 13.536 -9.642 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.602 13.359 -11.757 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.370 12.930 -10.857 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.302 12.835 -11.914 1.00 0.00 C ATOM 781 OH TYR A 72 -0.945 12.261 -13.092 1.00 0.00 O ATOM 0 H TYR A 72 -0.739 16.638 -7.304 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.835 16.489 -9.403 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.772 14.481 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.451 14.394 -7.907 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.973 14.358 -10.423 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.038 13.614 -8.832 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.310 13.299 -12.571 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.629 12.539 -10.979 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.017 11.952 -13.037 1.00 0.00 H new ATOM 791 N ILE A 73 -4.724 17.051 -7.835 1.00 0.00 N ATOM 792 CA ILE A 73 -5.798 17.605 -7.003 1.00 0.00 C ATOM 793 C ILE A 73 -7.084 16.789 -7.178 1.00 0.00 C ATOM 794 O ILE A 73 -7.323 16.191 -8.227 1.00 0.00 O ATOM 795 CB ILE A 73 -6.035 19.125 -7.231 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.754 19.431 -8.561 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.723 19.929 -7.135 1.00 0.00 C ATOM 798 CD1 ILE A 73 -7.094 20.910 -8.787 1.00 0.00 C ATOM 0 H ILE A 73 -5.033 16.782 -8.769 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.473 17.520 -5.966 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.697 19.442 -6.426 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.127 19.088 -9.384 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.676 18.851 -8.600 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.931 20.986 -7.300 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.286 19.795 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.023 19.575 -7.892 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.597 21.025 -9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.750 21.258 -7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.177 21.499 -8.785 1.00 0.00 H new ATOM 810 N CYS A 74 -7.928 16.787 -6.154 1.00 0.00 N ATOM 811 CA CYS A 74 -9.237 16.148 -6.203 1.00 0.00 C ATOM 812 C CYS A 74 -10.308 16.953 -6.966 1.00 0.00 C ATOM 813 O CYS A 74 -10.183 18.160 -7.198 1.00 0.00 O ATOM 814 CB CYS A 74 -9.639 15.803 -4.774 1.00 0.00 C ATOM 815 SG CYS A 74 -10.135 17.274 -3.831 1.00 0.00 S ATOM 0 H CYS A 74 -7.722 17.232 -5.260 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.162 15.236 -6.795 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.463 15.089 -4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.805 15.314 -4.271 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.526 17.279 -2.683 1.00 0.00 H new ATOM 820 N ASP A 75 -11.401 16.287 -7.349 1.00 0.00 N ATOM 821 CA ASP A 75 -12.542 16.898 -8.049 1.00 0.00 C ATOM 822 C ASP A 75 -13.181 18.079 -7.290 1.00 0.00 C ATOM 823 O ASP A 75 -13.595 19.058 -7.921 1.00 0.00 O ATOM 824 CB ASP A 75 -13.598 15.818 -8.332 1.00 0.00 C ATOM 825 CG ASP A 75 -14.023 15.136 -7.030 1.00 0.00 C ATOM 826 OD1 ASP A 75 -13.247 14.294 -6.540 1.00 0.00 O ATOM 827 OD2 ASP A 75 -14.998 15.551 -6.375 1.00 0.00 O ATOM 0 H ASP A 75 -11.523 15.289 -7.179 1.00 0.00 H new ATOM 0 HA ASP A 75 -12.155 17.316 -8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.466 16.266 -8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.195 15.078 -9.023 1.00 0.00 H new ATOM 832 N PHE A 76 -13.220 18.030 -5.953 1.00 0.00 N ATOM 833 CA PHE A 76 -13.795 19.072 -5.103 1.00 0.00 C ATOM 834 C PHE A 76 -12.942 20.343 -5.180 1.00 0.00 C ATOM 835 O PHE A 76 -13.434 21.421 -5.526 1.00 0.00 O ATOM 836 CB PHE A 76 -13.879 18.484 -3.688 1.00 0.00 C ATOM 837 CG PHE A 76 -14.722 19.231 -2.683 1.00 0.00 C ATOM 838 CD1 PHE A 76 -16.125 19.157 -2.770 1.00 0.00 C ATOM 839 CD2 PHE A 76 -14.121 19.900 -1.601 1.00 0.00 C ATOM 840 CE1 PHE A 76 -16.924 19.749 -1.779 1.00 0.00 C ATOM 841 CE2 PHE A 76 -14.922 20.491 -0.608 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.323 20.414 -0.695 1.00 0.00 C ATOM 0 H PHE A 76 -12.843 17.245 -5.422 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.793 19.369 -5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -14.266 17.468 -3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.866 18.410 -3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -16.587 18.644 -3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -13.045 19.960 -1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -18.000 19.694 -1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -14.460 21.005 0.222 1.00 0.00 H new ATOM 0 HZ PHE A 76 -16.937 20.865 0.070 1.00 0.00 H new ATOM 852 N HIS A 77 -11.624 20.201 -4.985 1.00 0.00 N ATOM 853 CA HIS A 77 -10.675 21.308 -5.140 1.00 0.00 C ATOM 854 C HIS A 77 -10.622 21.848 -6.574 1.00 0.00 C ATOM 855 O HIS A 77 -10.553 23.065 -6.764 1.00 0.00 O ATOM 856 CB HIS A 77 -9.296 20.890 -4.603 1.00 0.00 C ATOM 857 CG HIS A 77 -9.157 21.165 -3.113 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.743 20.258 -2.115 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.463 22.352 -2.515 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.848 20.940 -0.950 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.276 22.192 -1.166 1.00 0.00 N ATOM 0 H HIS A 77 -11.189 19.319 -4.716 1.00 0.00 H new ATOM 0 HA HIS A 77 -11.029 22.148 -4.542 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.140 19.828 -4.792 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.518 21.427 -5.145 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.792 23.252 -3.012 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.618 20.530 0.022 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.435 22.902 -0.451 1.00 0.00 H new ATOM 869 N LYS A 78 -10.741 20.976 -7.585 1.00 0.00 N ATOM 870 CA LYS A 78 -10.847 21.386 -8.995 1.00 0.00 C ATOM 871 C LYS A 78 -12.027 22.348 -9.185 1.00 0.00 C ATOM 872 O LYS A 78 -11.872 23.365 -9.862 1.00 0.00 O ATOM 873 CB LYS A 78 -10.996 20.130 -9.871 1.00 0.00 C ATOM 874 CG LYS A 78 -11.042 20.413 -11.386 1.00 0.00 C ATOM 875 CD LYS A 78 -11.814 19.327 -12.156 1.00 0.00 C ATOM 876 CE LYS A 78 -13.330 19.336 -11.887 1.00 0.00 C ATOM 877 NZ LYS A 78 -13.998 20.544 -12.435 1.00 0.00 N ATOM 0 H LYS A 78 -10.767 19.965 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.944 21.918 -9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.164 19.457 -9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.908 19.607 -9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.511 21.382 -11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.025 20.477 -11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.643 19.460 -13.224 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.412 18.350 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.779 18.445 -12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.505 19.284 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.966 20.606 -12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.463 21.392 -12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.033 20.481 -13.472 1.00 0.00 H new ATOM 891 N ASN A 79 -13.199 22.037 -8.617 1.00 0.00 N ATOM 892 CA ASN A 79 -14.337 22.957 -8.661 1.00 0.00 C ATOM 893 C ASN A 79 -14.099 24.224 -7.824 1.00 0.00 C ATOM 894 O ASN A 79 -14.403 25.305 -8.311 1.00 0.00 O ATOM 895 CB ASN A 79 -15.638 22.251 -8.250 1.00 0.00 C ATOM 896 CG ASN A 79 -16.840 23.158 -8.483 1.00 0.00 C ATOM 897 OD1 ASN A 79 -17.197 23.985 -7.666 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.485 23.061 -9.624 1.00 0.00 N ATOM 0 H ASN A 79 -13.381 21.162 -8.126 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.442 23.281 -9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.754 21.331 -8.822 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.588 21.969 -7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.276 23.676 -9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.195 22.371 -10.317 1.00 0.00 H new ATOM 905 N PHE A 80 -13.516 24.140 -6.625 1.00 0.00 N ATOM 906 CA PHE A 80 -13.306 25.303 -5.754 1.00 0.00 C ATOM 907 C PHE A 80 -12.549 26.455 -6.445 1.00 0.00 C ATOM 908 O PHE A 80 -13.020 27.596 -6.487 1.00 0.00 O ATOM 909 CB PHE A 80 -12.583 24.837 -4.482 1.00 0.00 C ATOM 910 CG PHE A 80 -12.408 25.935 -3.457 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.548 26.551 -2.902 1.00 0.00 C ATOM 912 CD2 PHE A 80 -11.121 26.335 -3.041 1.00 0.00 C ATOM 913 CE1 PHE A 80 -13.409 27.566 -1.941 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.993 27.351 -2.084 1.00 0.00 C ATOM 915 CZ PHE A 80 -12.128 27.963 -1.529 1.00 0.00 C ATOM 0 H PHE A 80 -13.176 23.264 -6.229 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.281 25.718 -5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.144 24.017 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.604 24.443 -4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.533 26.241 -3.217 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.243 25.863 -3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.285 28.039 -1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.009 27.667 -1.770 1.00 0.00 H new ATOM 0 HZ PHE A 80 -12.015 28.738 -0.786 1.00 0.00 H new ATOM 925 N ILE A 81 -11.422 26.143 -7.095 1.00 0.00 N ATOM 926 CA ILE A 81 -10.617 27.124 -7.843 1.00 0.00 C ATOM 927 C ILE A 81 -11.429 27.745 -9.001 1.00 0.00 C ATOM 928 O ILE A 81 -11.306 28.946 -9.286 1.00 0.00 O ATOM 929 CB ILE A 81 -9.317 26.449 -8.350 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.494 25.824 -7.193 1.00 0.00 C ATOM 931 CG2 ILE A 81 -8.440 27.460 -9.121 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.430 24.825 -7.668 1.00 0.00 C ATOM 0 H ILE A 81 -11.038 25.198 -7.119 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.344 27.943 -7.177 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.621 25.645 -9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.007 26.622 -6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.173 25.320 -6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.533 26.965 -9.468 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.994 27.843 -9.978 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.173 28.287 -8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.893 24.428 -6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.912 24.007 -8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.728 25.329 -8.332 1.00 0.00 H new ATOM 944 N GLN A 82 -12.263 26.925 -9.654 1.00 0.00 N ATOM 945 CA GLN A 82 -13.166 27.317 -10.741 1.00 0.00 C ATOM 946 C GLN A 82 -14.341 28.183 -10.244 1.00 0.00 C ATOM 947 O GLN A 82 -14.657 29.183 -10.883 1.00 0.00 O ATOM 948 CB GLN A 82 -13.645 26.059 -11.503 1.00 0.00 C ATOM 949 CG GLN A 82 -12.476 25.390 -12.253 1.00 0.00 C ATOM 950 CD GLN A 82 -12.778 24.032 -12.898 1.00 0.00 C ATOM 951 OE1 GLN A 82 -13.681 23.277 -12.552 1.00 0.00 O ATOM 952 NE2 GLN A 82 -12.014 23.664 -13.906 1.00 0.00 N ATOM 0 H GLN A 82 -12.329 25.932 -9.430 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.611 27.948 -11.435 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -14.085 25.350 -10.802 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -14.427 26.334 -12.211 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -12.133 26.071 -13.032 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.649 25.262 -11.555 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.255 24.269 -14.218 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.182 22.774 -14.375 1.00 0.00 H new