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+ -154:sc= 1.12 (180deg=0) USER MOD Set 1.2: A 82 GLN : amide:sc= 0.95 K(o=2.1,f=-6.6!) USER MOD Set 2.1: A 29 CYS SG : rot 145:sc= -0.587 USER MOD Set 2.2: A 38 CYS SG : rot 172:sc= 1.26 USER MOD Set 2.3: A 74 CYS SG : rot -133:sc= 0.185 USER MOD Set 2.4: A 77 HIS : no HD1:sc= 0.885 K(o=1.7,f=-11!) USER MOD Set 3.1: A 30 CYS SG : rot 113:sc= -0.302 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.589 K(o=-0.89,f=-3.6) USER MOD Set 4.1: A 53 LYS NZ :NH3+ -118:sc= 1.2 (180deg=0) USER MOD Set 4.2: A 57 GLN : amide:sc= 1.09 K(o=2.3,f=-5.7!) USER MOD Set 5.1: A 49 LYS NZ :NH3+ -155:sc= 1.18 (180deg=0) USER MOD Set 5.2: A 52 GLN : amide:sc= 1.08 K(o=2.3,f=-5.1) USER MOD Single : A 27 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.12) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -170:sc= 0.00842 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= 1.05 (180deg=1.01) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -117:sc= -0.157 (180deg=-2.44!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0244 K(o=-0.024,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 27 -3.578 7.716 -5.947 1.00 0.00 N ATOM 48 CA GLN A 27 -4.051 8.891 -6.666 1.00 0.00 C ATOM 49 C GLN A 27 -4.975 9.680 -5.728 1.00 0.00 C ATOM 50 O GLN A 27 -6.197 9.558 -5.766 1.00 0.00 O ATOM 51 CB GLN A 27 -4.727 8.483 -7.988 1.00 0.00 C ATOM 52 CG GLN A 27 -3.750 8.378 -9.174 1.00 0.00 C ATOM 53 CD GLN A 27 -2.668 7.302 -9.078 1.00 0.00 C ATOM 54 OE1 GLN A 27 -2.652 6.414 -8.244 1.00 0.00 O ATOM 55 NE2 GLN A 27 -1.678 7.352 -9.938 1.00 0.00 N ATOM 0 HA GLN A 27 -3.221 9.537 -6.951 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.223 7.522 -7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.502 9.211 -8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.331 8.197 -10.078 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.260 9.344 -9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.658 8.082 -10.651 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.929 6.661 -9.894 1.00 0.00 H new ATOM 64 N SER A 28 -4.371 10.479 -4.854 1.00 0.00 N ATOM 65 CA SER A 28 -5.045 11.405 -3.938 1.00 0.00 C ATOM 66 C SER A 28 -4.489 12.821 -4.102 1.00 0.00 C ATOM 67 O SER A 28 -3.425 13.022 -4.705 1.00 0.00 O ATOM 68 CB SER A 28 -4.899 10.917 -2.493 1.00 0.00 C ATOM 69 OG SER A 28 -3.528 10.784 -2.157 1.00 0.00 O ATOM 0 H SER A 28 -3.356 10.503 -4.757 1.00 0.00 H new ATOM 0 HA SER A 28 -6.107 11.433 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.381 11.620 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.405 9.959 -2.372 1.00 0.00 H new ATOM 0 HG SER A 28 -3.447 10.473 -1.231 1.00 0.00 H new ATOM 75 N CYS A 29 -5.256 13.796 -3.611 1.00 0.00 N ATOM 76 CA CYS A 29 -4.915 15.210 -3.588 1.00 0.00 C ATOM 77 C CYS A 29 -3.567 15.491 -2.884 1.00 0.00 C ATOM 78 O CYS A 29 -2.920 14.625 -2.282 1.00 0.00 O ATOM 79 CB CYS A 29 -6.111 15.916 -2.928 1.00 0.00 C ATOM 80 SG CYS A 29 -6.267 17.675 -3.391 1.00 0.00 S ATOM 0 H CYS A 29 -6.171 13.608 -3.202 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.752 15.594 -4.595 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.027 15.394 -3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.014 15.841 -1.845 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.525 17.992 -3.476 1.00 0.00 H new ATOM 85 N CYS A 30 -3.115 16.734 -2.979 1.00 0.00 N ATOM 86 CA CYS A 30 -1.923 17.217 -2.271 1.00 0.00 C ATOM 87 C CYS A 30 -2.040 18.680 -1.836 1.00 0.00 C ATOM 88 O CYS A 30 -1.052 19.331 -1.489 1.00 0.00 O ATOM 89 CB CYS A 30 -0.669 16.904 -3.098 1.00 0.00 C ATOM 90 SG CYS A 30 0.365 15.783 -2.111 1.00 0.00 S ATOM 0 H CYS A 30 -3.565 17.447 -3.553 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.832 16.677 -1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.940 16.441 -4.047 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.126 17.819 -3.334 1.00 0.00 H new ATOM 0 HG CYS A 30 0.416 14.619 -2.688 1.00 0.00 H new ATOM 96 N LEU A 31 -3.261 19.203 -1.891 1.00 0.00 N ATOM 97 CA LEU A 31 -3.573 20.521 -1.372 1.00 0.00 C ATOM 98 C LEU A 31 -3.720 20.467 0.157 1.00 0.00 C ATOM 99 O LEU A 31 -3.857 19.401 0.766 1.00 0.00 O ATOM 100 CB LEU A 31 -4.860 21.026 -2.046 1.00 0.00 C ATOM 101 CG LEU A 31 -4.752 21.134 -3.578 1.00 0.00 C ATOM 102 CD1 LEU A 31 -6.062 21.648 -4.151 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.619 22.045 -4.031 1.00 0.00 C ATOM 0 H LEU A 31 -4.061 18.719 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.763 21.216 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.680 20.353 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.114 22.004 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.534 20.132 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.980 21.723 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.867 20.959 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.280 22.632 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.594 22.080 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.781 23.049 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.670 21.658 -3.659 1.00 0.00 H new ATOM 115 N ILE A 32 -3.731 21.639 0.770 1.00 0.00 N ATOM 116 CA ILE A 32 -3.974 21.850 2.193 1.00 0.00 C ATOM 117 C ILE A 32 -4.945 23.016 2.273 1.00 0.00 C ATOM 118 O ILE A 32 -4.721 24.024 1.610 1.00 0.00 O ATOM 119 CB ILE A 32 -2.649 22.164 2.928 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.655 20.988 2.786 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.918 22.529 4.400 1.00 0.00 C ATOM 122 CD1 ILE A 32 -0.410 21.056 3.675 1.00 0.00 C ATOM 0 H ILE A 32 -3.563 22.511 0.269 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.386 20.963 2.674 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.185 23.033 2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.185 20.061 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.333 20.933 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.974 22.746 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.563 23.407 4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.408 21.693 4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.215 20.182 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.153 21.960 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.711 21.075 4.722 1.00 0.00 H new ATOM 134 N GLU A 33 -6.003 22.911 3.071 1.00 0.00 N ATOM 135 CA GLU A 33 -6.951 24.011 3.257 1.00 0.00 C ATOM 136 C GLU A 33 -7.159 24.273 4.747 1.00 0.00 C ATOM 137 O GLU A 33 -7.656 23.425 5.480 1.00 0.00 O ATOM 138 CB GLU A 33 -8.249 23.754 2.477 1.00 0.00 C ATOM 139 CG GLU A 33 -8.903 25.111 2.188 1.00 0.00 C ATOM 140 CD GLU A 33 -10.145 25.050 1.292 1.00 0.00 C ATOM 141 OE1 GLU A 33 -10.350 24.020 0.600 1.00 0.00 O ATOM 142 OE2 GLU A 33 -10.837 26.094 1.255 1.00 0.00 O ATOM 0 H GLU A 33 -6.229 22.071 3.604 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.541 24.930 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.037 23.227 1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.923 23.121 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.179 25.574 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.165 25.761 1.718 1.00 0.00 H new ATOM 149 N ASP A 34 -6.683 25.431 5.214 1.00 0.00 N ATOM 150 CA ASP A 34 -6.640 25.860 6.632 1.00 0.00 C ATOM 151 C ASP A 34 -5.861 24.928 7.587 1.00 0.00 C ATOM 152 O ASP A 34 -5.833 25.131 8.799 1.00 0.00 O ATOM 153 CB ASP A 34 -8.058 26.182 7.158 1.00 0.00 C ATOM 154 CG ASP A 34 -8.231 27.616 7.668 1.00 0.00 C ATOM 155 OD1 ASP A 34 -7.370 28.484 7.394 1.00 0.00 O ATOM 156 OD2 ASP A 34 -9.372 27.996 8.010 1.00 0.00 O ATOM 0 H ASP A 34 -6.295 26.137 4.588 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.049 26.776 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.778 26.004 6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.299 25.490 7.965 1.00 0.00 H new ATOM 161 N GLY A 35 -5.216 23.902 7.031 1.00 0.00 N ATOM 162 CA GLY A 35 -4.496 22.837 7.729 1.00 0.00 C ATOM 163 C GLY A 35 -5.066 21.448 7.428 1.00 0.00 C ATOM 164 O GLY A 35 -4.387 20.454 7.688 1.00 0.00 O ATOM 0 H GLY A 35 -5.180 23.785 6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.445 22.865 7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.538 23.018 8.803 1.00 0.00 H new ATOM 168 N GLU A 36 -6.283 21.348 6.872 1.00 0.00 N ATOM 169 CA GLU A 36 -6.822 20.074 6.391 1.00 0.00 C ATOM 170 C GLU A 36 -5.985 19.666 5.174 1.00 0.00 C ATOM 171 O GLU A 36 -6.202 20.148 4.060 1.00 0.00 O ATOM 172 CB GLU A 36 -8.322 20.124 6.011 1.00 0.00 C ATOM 173 CG GLU A 36 -8.838 18.688 5.721 1.00 0.00 C ATOM 174 CD GLU A 36 -10.128 18.605 4.880 1.00 0.00 C ATOM 175 OE1 GLU A 36 -10.972 19.518 4.933 1.00 0.00 O ATOM 176 OE2 GLU A 36 -10.304 17.619 4.112 1.00 0.00 O ATOM 0 H GLU A 36 -6.913 22.141 6.746 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.760 19.349 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.898 20.571 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.464 20.756 5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.052 18.135 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.011 18.184 6.672 1.00 0.00 H new ATOM 183 N ARG A 37 -4.956 18.841 5.397 1.00 0.00 N ATOM 184 CA ARG A 37 -4.167 18.250 4.318 1.00 0.00 C ATOM 185 C ARG A 37 -5.116 17.319 3.571 1.00 0.00 C ATOM 186 O ARG A 37 -5.398 16.222 4.042 1.00 0.00 O ATOM 187 CB ARG A 37 -2.916 17.551 4.886 1.00 0.00 C ATOM 188 CG ARG A 37 -1.826 17.189 3.858 1.00 0.00 C ATOM 189 CD ARG A 37 -2.345 16.533 2.571 1.00 0.00 C ATOM 190 NE ARG A 37 -1.287 15.772 1.888 1.00 0.00 N ATOM 191 CZ ARG A 37 -1.363 14.508 1.532 1.00 0.00 C ATOM 192 NH1 ARG A 37 -2.492 13.866 1.421 1.00 0.00 N ATOM 193 NH2 ARG A 37 -0.261 13.869 1.294 1.00 0.00 N ATOM 0 H ARG A 37 -4.649 18.566 6.330 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.773 18.992 3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.474 18.198 5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.231 16.638 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.282 18.095 3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.111 16.515 4.330 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.176 15.869 2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.733 17.301 1.901 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.421 16.266 1.672 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.372 14.345 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.496 12.885 1.141 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.635 14.347 1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.290 12.888 1.016 1.00 0.00 H new ATOM 207 N CYS A 38 -5.600 17.773 2.424 1.00 0.00 N ATOM 208 CA CYS A 38 -6.559 17.071 1.592 1.00 0.00 C ATOM 209 C CYS A 38 -6.057 15.652 1.258 1.00 0.00 C ATOM 210 O CYS A 38 -4.897 15.427 0.894 1.00 0.00 O ATOM 211 CB CYS A 38 -6.807 17.954 0.362 1.00 0.00 C ATOM 212 SG CYS A 38 -8.439 17.622 -0.371 1.00 0.00 S ATOM 0 H CYS A 38 -5.323 18.674 2.035 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.508 16.911 2.104 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.740 19.004 0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.029 17.774 -0.380 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.682 18.495 -1.303 1.00 0.00 H new ATOM 217 N VAL A 39 -6.958 14.685 1.398 1.00 0.00 N ATOM 218 CA VAL A 39 -6.755 13.242 1.140 1.00 0.00 C ATOM 219 C VAL A 39 -7.850 12.678 0.233 1.00 0.00 C ATOM 220 O VAL A 39 -7.883 11.480 -0.044 1.00 0.00 O ATOM 221 CB VAL A 39 -6.658 12.420 2.449 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.332 12.668 3.172 1.00 0.00 C ATOM 223 CG2 VAL A 39 -7.823 12.686 3.412 1.00 0.00 C ATOM 0 H VAL A 39 -7.907 14.887 1.712 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.799 13.151 0.624 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.712 11.376 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.299 12.075 4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.505 12.381 2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.246 13.725 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.698 12.081 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.836 13.741 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.763 12.425 2.926 1.00 0.00 H new ATOM 233 N ARG A 40 -8.740 13.546 -0.254 1.00 0.00 N ATOM 234 CA ARG A 40 -9.807 13.225 -1.202 1.00 0.00 C ATOM 235 C ARG A 40 -9.191 12.611 -2.484 1.00 0.00 C ATOM 236 O ARG A 40 -8.064 12.970 -2.852 1.00 0.00 O ATOM 237 CB ARG A 40 -10.609 14.517 -1.453 1.00 0.00 C ATOM 238 CG ARG A 40 -11.220 15.111 -0.160 1.00 0.00 C ATOM 239 CD ARG A 40 -11.757 16.536 -0.348 1.00 0.00 C ATOM 240 NE ARG A 40 -11.711 17.306 0.919 1.00 0.00 N ATOM 241 CZ ARG A 40 -11.644 18.621 1.054 1.00 0.00 C ATOM 242 NH1 ARG A 40 -11.663 19.415 0.024 1.00 0.00 N ATOM 243 NH2 ARG A 40 -11.586 19.170 2.225 1.00 0.00 N ATOM 0 H ARG A 40 -8.736 14.531 0.013 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.495 12.474 -0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.957 15.259 -1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.409 14.309 -2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.030 14.466 0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.463 15.115 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.169 17.050 -1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.783 16.494 -0.712 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.733 16.762 1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.731 19.028 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.610 20.425 0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.591 18.587 3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.535 20.185 2.310 1.00 0.00 H new ATOM 257 N PRO A 41 -9.886 11.665 -3.147 1.00 0.00 N ATOM 258 CA PRO A 41 -9.336 10.956 -4.300 1.00 0.00 C ATOM 259 C PRO A 41 -9.088 11.922 -5.459 1.00 0.00 C ATOM 260 O PRO A 41 -9.941 12.747 -5.788 1.00 0.00 O ATOM 261 CB PRO A 41 -10.355 9.867 -4.649 1.00 0.00 C ATOM 262 CG PRO A 41 -11.672 10.418 -4.103 1.00 0.00 C ATOM 263 CD PRO A 41 -11.237 11.203 -2.865 1.00 0.00 C ATOM 0 HA PRO A 41 -8.366 10.508 -4.083 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.407 9.697 -5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.097 8.914 -4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.173 11.058 -4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.368 9.619 -3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.907 12.042 -2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.258 10.574 -1.975 1.00 0.00 H new ATOM 271 N ALA A 42 -7.908 11.816 -6.068 1.00 0.00 N ATOM 272 CA ALA A 42 -7.564 12.580 -7.256 1.00 0.00 C ATOM 273 C ALA A 42 -8.147 11.916 -8.507 1.00 0.00 C ATOM 274 O ALA A 42 -8.411 10.713 -8.537 1.00 0.00 O ATOM 275 CB ALA A 42 -6.044 12.746 -7.352 1.00 0.00 C ATOM 0 H ALA A 42 -7.165 11.195 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.003 13.575 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.796 13.320 -8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.679 13.272 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.574 11.764 -7.409 1.00 0.00 H new ATOM 281 N GLY A 43 -8.294 12.717 -9.557 1.00 0.00 N ATOM 282 CA GLY A 43 -8.763 12.271 -10.868 1.00 0.00 C ATOM 283 C GLY A 43 -7.983 12.956 -11.981 1.00 0.00 C ATOM 284 O GLY A 43 -6.787 13.213 -11.844 1.00 0.00 O ATOM 0 H GLY A 43 -8.087 13.715 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.651 11.190 -10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.825 12.491 -10.974 1.00 0.00 H new ATOM 288 N ASN A 44 -8.664 13.305 -13.072 1.00 0.00 N ATOM 289 CA ASN A 44 -8.097 14.075 -14.189 1.00 0.00 C ATOM 290 C ASN A 44 -7.830 15.563 -13.827 1.00 0.00 C ATOM 291 O ASN A 44 -7.904 16.444 -14.686 1.00 0.00 O ATOM 292 CB ASN A 44 -9.019 13.891 -15.412 1.00 0.00 C ATOM 293 CG ASN A 44 -8.293 14.183 -16.715 1.00 0.00 C ATOM 294 OD1 ASN A 44 -7.380 13.483 -17.106 1.00 0.00 O ATOM 295 ND2 ASN A 44 -8.666 15.221 -17.426 1.00 0.00 N ATOM 0 H ASN A 44 -9.644 13.058 -13.211 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.106 13.691 -14.433 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.400 12.870 -15.429 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.881 14.552 -15.320 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.190 15.437 -18.302 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.432 15.812 -17.103 1.00 0.00 H new ATOM 302 N ALA A 45 -7.543 15.855 -12.551 1.00 0.00 N ATOM 303 CA ALA A 45 -7.294 17.176 -11.990 1.00 0.00 C ATOM 304 C ALA A 45 -5.862 17.224 -11.429 1.00 0.00 C ATOM 305 O ALA A 45 -5.481 16.469 -10.532 1.00 0.00 O ATOM 306 CB ALA A 45 -8.362 17.489 -10.931 1.00 0.00 C ATOM 0 H ALA A 45 -7.476 15.123 -11.844 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.368 17.947 -12.757 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.178 18.477 -10.510 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.349 17.470 -11.393 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.318 16.742 -10.138 1.00 0.00 H new ATOM 312 N SER A 46 -5.046 18.119 -11.986 1.00 0.00 N ATOM 313 CA SER A 46 -3.619 18.235 -11.660 1.00 0.00 C ATOM 314 C SER A 46 -3.162 19.697 -11.568 1.00 0.00 C ATOM 315 O SER A 46 -3.630 20.587 -12.286 1.00 0.00 O ATOM 316 CB SER A 46 -2.741 17.417 -12.628 1.00 0.00 C ATOM 317 OG SER A 46 -3.308 17.305 -13.923 1.00 0.00 O ATOM 0 H SER A 46 -5.358 18.793 -12.685 1.00 0.00 H new ATOM 0 HA SER A 46 -3.488 17.804 -10.668 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.760 17.885 -12.705 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.587 16.420 -12.216 1.00 0.00 H new ATOM 0 HG SER A 46 -2.712 16.780 -14.497 1.00 0.00 H new ATOM 323 N PHE A 47 -2.243 19.933 -10.628 1.00 0.00 N ATOM 324 CA PHE A 47 -1.708 21.235 -10.220 1.00 0.00 C ATOM 325 C PHE A 47 -0.719 21.846 -11.234 1.00 0.00 C ATOM 326 O PHE A 47 0.475 22.031 -10.991 1.00 0.00 O ATOM 327 CB PHE A 47 -1.169 21.139 -8.785 1.00 0.00 C ATOM 328 CG PHE A 47 -1.109 22.488 -8.102 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.278 23.015 -7.527 1.00 0.00 C ATOM 330 CD2 PHE A 47 0.084 23.234 -8.069 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.259 24.284 -6.929 1.00 0.00 C ATOM 332 CE2 PHE A 47 0.097 24.516 -7.496 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.076 25.042 -6.926 1.00 0.00 C ATOM 0 H PHE A 47 -1.825 19.169 -10.097 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.524 21.957 -10.218 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.803 20.469 -8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.172 20.699 -8.803 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.193 22.442 -7.545 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.991 22.820 -8.485 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.154 24.678 -6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.007 25.097 -7.493 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.068 26.028 -6.486 1.00 0.00 H new ATOM 343 N SER A 48 -1.241 22.156 -12.419 1.00 0.00 N ATOM 344 CA SER A 48 -0.497 22.823 -13.495 1.00 0.00 C ATOM 345 C SER A 48 -0.319 24.323 -13.213 1.00 0.00 C ATOM 346 O SER A 48 -1.215 24.971 -12.676 1.00 0.00 O ATOM 347 CB SER A 48 -1.179 22.583 -14.852 1.00 0.00 C ATOM 348 OG SER A 48 -2.584 22.803 -14.817 1.00 0.00 O ATOM 0 H SER A 48 -2.209 21.949 -12.666 1.00 0.00 H new ATOM 0 HA SER A 48 0.501 22.386 -13.535 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.733 23.241 -15.598 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.985 21.560 -15.173 1.00 0.00 H new ATOM 0 HG SER A 48 -2.986 22.487 -15.653 1.00 0.00 H new ATOM 354 N LYS A 49 0.827 24.903 -13.607 1.00 0.00 N ATOM 355 CA LYS A 49 1.230 26.303 -13.327 1.00 0.00 C ATOM 356 C LYS A 49 0.121 27.346 -13.560 1.00 0.00 C ATOM 357 O LYS A 49 -0.049 28.258 -12.756 1.00 0.00 O ATOM 358 CB LYS A 49 2.503 26.619 -14.144 1.00 0.00 C ATOM 359 CG LYS A 49 3.507 27.592 -13.490 1.00 0.00 C ATOM 360 CD LYS A 49 2.998 29.026 -13.263 1.00 0.00 C ATOM 361 CE LYS A 49 4.093 30.002 -12.812 1.00 0.00 C ATOM 362 NZ LYS A 49 4.691 29.599 -11.514 1.00 0.00 N ATOM 0 H LYS A 49 1.527 24.397 -14.149 1.00 0.00 H new ATOM 0 HA LYS A 49 1.436 26.379 -12.259 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.019 25.681 -14.351 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.199 27.034 -15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.812 27.178 -12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.399 27.638 -14.114 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.552 29.395 -14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.208 29.008 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.873 30.050 -13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.673 31.004 -12.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.087 30.436 -11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.958 29.173 -10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.448 28.905 -11.681 1.00 0.00 H new ATOM 376 N ARG A 50 -0.690 27.182 -14.615 1.00 0.00 N ATOM 377 CA ARG A 50 -1.861 28.034 -14.905 1.00 0.00 C ATOM 378 C ARG A 50 -2.823 28.192 -13.718 1.00 0.00 C ATOM 379 O ARG A 50 -3.341 29.283 -13.506 1.00 0.00 O ATOM 380 CB ARG A 50 -2.572 27.541 -16.182 1.00 0.00 C ATOM 381 CG ARG A 50 -3.201 26.135 -16.074 1.00 0.00 C ATOM 382 CD ARG A 50 -3.725 25.676 -17.442 1.00 0.00 C ATOM 383 NE ARG A 50 -4.305 24.317 -17.391 1.00 0.00 N ATOM 384 CZ ARG A 50 -4.916 23.691 -18.387 1.00 0.00 C ATOM 385 NH1 ARG A 50 -5.046 24.224 -19.575 1.00 0.00 N ATOM 386 NH2 ARG A 50 -5.430 22.506 -18.205 1.00 0.00 N ATOM 0 H ARG A 50 -0.552 26.443 -15.304 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.487 29.042 -15.084 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.354 28.254 -16.443 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.855 27.540 -17.003 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.460 25.426 -15.705 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.017 26.149 -15.351 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.480 26.379 -17.794 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.910 25.695 -18.166 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.228 23.814 -16.507 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.670 25.154 -19.761 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.523 23.710 -20.315 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.363 22.056 -17.292 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.899 22.030 -18.975 1.00 0.00 H new ATOM 400 N VAL A 51 -3.014 27.134 -12.928 1.00 0.00 N ATOM 401 CA VAL A 51 -3.890 27.093 -11.750 1.00 0.00 C ATOM 402 C VAL A 51 -3.359 27.989 -10.625 1.00 0.00 C ATOM 403 O VAL A 51 -4.142 28.732 -10.033 1.00 0.00 O ATOM 404 CB VAL A 51 -4.075 25.628 -11.281 1.00 0.00 C ATOM 405 CG1 VAL A 51 -5.107 25.538 -10.159 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.592 24.735 -12.422 1.00 0.00 C ATOM 0 H VAL A 51 -2.544 26.244 -13.096 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.867 27.488 -12.028 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.095 25.292 -10.941 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.217 24.499 -9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.775 26.137 -9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.066 25.914 -10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.711 23.714 -12.060 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.554 25.111 -12.771 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.878 24.747 -13.245 1.00 0.00 H new ATOM 416 N GLN A 52 -2.034 28.021 -10.398 1.00 0.00 N ATOM 417 CA GLN A 52 -1.397 28.898 -9.401 1.00 0.00 C ATOM 418 C GLN A 52 -1.804 30.367 -9.548 1.00 0.00 C ATOM 419 O GLN A 52 -2.016 31.036 -8.537 1.00 0.00 O ATOM 420 CB GLN A 52 0.140 28.845 -9.481 1.00 0.00 C ATOM 421 CG GLN A 52 0.779 27.497 -9.158 1.00 0.00 C ATOM 422 CD GLN A 52 2.297 27.645 -9.061 1.00 0.00 C ATOM 423 OE1 GLN A 52 2.993 27.994 -10.009 1.00 0.00 O ATOM 424 NE2 GLN A 52 2.865 27.469 -7.890 1.00 0.00 N ATOM 0 H GLN A 52 -1.371 27.435 -10.905 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.746 28.515 -8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.442 29.137 -10.487 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.546 29.591 -8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.382 27.114 -8.218 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.525 26.771 -9.930 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.304 27.179 -7.089 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.868 27.622 -7.781 1.00 0.00 H new ATOM 433 N LYS A 53 -1.927 30.877 -10.787 1.00 0.00 N ATOM 434 CA LYS A 53 -2.318 32.275 -11.020 1.00 0.00 C ATOM 435 C LYS A 53 -3.663 32.578 -10.376 1.00 0.00 C ATOM 436 O LYS A 53 -3.768 33.580 -9.687 1.00 0.00 O ATOM 437 CB LYS A 53 -2.335 32.623 -12.518 1.00 0.00 C ATOM 438 CG LYS A 53 -2.617 34.123 -12.740 1.00 0.00 C ATOM 439 CD LYS A 53 -2.445 34.527 -14.212 1.00 0.00 C ATOM 440 CE LYS A 53 -2.896 35.966 -14.510 1.00 0.00 C ATOM 441 NZ LYS A 53 -2.117 36.994 -13.775 1.00 0.00 N ATOM 0 H LYS A 53 -1.761 30.341 -11.639 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.563 32.905 -10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.376 32.361 -12.966 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.096 32.029 -13.023 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.632 34.353 -12.417 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.943 34.715 -12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.397 34.418 -14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.014 33.839 -14.838 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.809 36.152 -15.581 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.951 36.068 -14.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.751 37.525 -13.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.376 36.531 -13.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.678 37.648 -14.454 1.00 0.00 H new ATOM 455 N SER A 54 -4.653 31.700 -10.550 1.00 0.00 N ATOM 456 CA SER A 54 -6.004 31.913 -10.020 1.00 0.00 C ATOM 457 C SER A 54 -6.048 31.920 -8.491 1.00 0.00 C ATOM 458 O SER A 54 -6.859 32.627 -7.903 1.00 0.00 O ATOM 459 CB SER A 54 -6.984 30.856 -10.536 1.00 0.00 C ATOM 460 OG SER A 54 -8.276 31.427 -10.599 1.00 0.00 O ATOM 0 H SER A 54 -4.543 30.824 -11.060 1.00 0.00 H new ATOM 0 HA SER A 54 -6.303 32.898 -10.377 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.677 30.506 -11.522 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.986 29.989 -9.876 1.00 0.00 H new ATOM 0 HG SER A 54 -8.913 30.760 -10.930 1.00 0.00 H new ATOM 466 N ILE A 55 -5.178 31.138 -7.845 1.00 0.00 N ATOM 467 CA ILE A 55 -5.007 31.096 -6.384 1.00 0.00 C ATOM 468 C ILE A 55 -4.300 32.380 -5.909 1.00 0.00 C ATOM 469 O ILE A 55 -4.762 33.051 -4.984 1.00 0.00 O ATOM 470 CB ILE A 55 -4.204 29.830 -5.998 1.00 0.00 C ATOM 471 CG1 ILE A 55 -4.846 28.544 -6.574 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.107 29.679 -4.475 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.022 27.283 -6.305 1.00 0.00 C ATOM 0 H ILE A 55 -4.554 30.497 -8.335 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.979 31.046 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.209 29.957 -6.423 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.840 28.419 -6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.976 28.662 -7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.538 28.781 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.606 30.551 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.109 29.598 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.528 26.419 -6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.036 27.389 -6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.913 27.142 -5.230 1.00 0.00 H new ATOM 485 N SER A 56 -3.204 32.756 -6.576 1.00 0.00 N ATOM 486 CA SER A 56 -2.345 33.907 -6.250 1.00 0.00 C ATOM 487 C SER A 56 -3.030 35.257 -6.459 1.00 0.00 C ATOM 488 O SER A 56 -2.996 36.101 -5.567 1.00 0.00 O ATOM 489 CB SER A 56 -1.109 33.858 -7.150 1.00 0.00 C ATOM 490 OG SER A 56 -0.211 34.922 -6.887 1.00 0.00 O ATOM 0 H SER A 56 -2.874 32.246 -7.395 1.00 0.00 H new ATOM 0 HA SER A 56 -2.095 33.829 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.595 32.908 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.420 33.898 -8.194 1.00 0.00 H new ATOM 0 HG SER A 56 0.564 34.851 -7.483 1.00 0.00 H new ATOM 496 N GLN A 57 -3.667 35.450 -7.617 1.00 0.00 N ATOM 497 CA GLN A 57 -4.399 36.661 -8.012 1.00 0.00 C ATOM 498 C GLN A 57 -5.573 36.958 -7.065 1.00 0.00 C ATOM 499 O GLN A 57 -6.036 38.092 -6.987 1.00 0.00 O ATOM 500 CB GLN A 57 -4.903 36.452 -9.455 1.00 0.00 C ATOM 501 CG GLN A 57 -5.377 37.715 -10.188 1.00 0.00 C ATOM 502 CD GLN A 57 -4.220 38.496 -10.802 1.00 0.00 C ATOM 503 OE1 GLN A 57 -3.504 38.015 -11.674 1.00 0.00 O ATOM 504 NE2 GLN A 57 -3.999 39.724 -10.394 1.00 0.00 N ATOM 0 H GLN A 57 -3.689 34.732 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.734 37.522 -7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.102 35.996 -10.037 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.726 35.738 -9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.080 37.435 -10.972 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.916 38.356 -9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.588 40.134 -9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.238 40.268 -10.802 1.00 0.00 H new ATOM 513 N LYS A 58 -6.031 35.937 -6.335 1.00 0.00 N ATOM 514 CA LYS A 58 -7.186 35.997 -5.432 1.00 0.00 C ATOM 515 C LYS A 58 -6.758 35.954 -3.958 1.00 0.00 C ATOM 516 O LYS A 58 -7.480 36.465 -3.105 1.00 0.00 O ATOM 517 CB LYS A 58 -8.110 34.825 -5.827 1.00 0.00 C ATOM 518 CG LYS A 58 -9.627 35.009 -5.612 1.00 0.00 C ATOM 519 CD LYS A 58 -10.135 35.426 -4.221 1.00 0.00 C ATOM 520 CE LYS A 58 -9.685 34.472 -3.104 1.00 0.00 C ATOM 521 NZ LYS A 58 -9.488 35.176 -1.813 1.00 0.00 N ATOM 0 H LYS A 58 -5.594 35.015 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.719 36.942 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.944 34.607 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.795 33.945 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.973 35.756 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.113 34.069 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.779 36.432 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.224 35.470 -4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.430 33.686 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.754 33.986 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.251 34.485 -1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.712 35.862 -1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.363 35.675 -1.553 1.00 0.00 H new ATOM 535 N LYS A 59 -5.589 35.380 -3.645 1.00 0.00 N ATOM 536 CA LYS A 59 -5.078 35.124 -2.283 1.00 0.00 C ATOM 537 C LYS A 59 -6.025 34.166 -1.543 1.00 0.00 C ATOM 538 O LYS A 59 -6.869 34.562 -0.734 1.00 0.00 O ATOM 539 CB LYS A 59 -4.742 36.435 -1.539 1.00 0.00 C ATOM 540 CG LYS A 59 -3.787 37.326 -2.360 1.00 0.00 C ATOM 541 CD LYS A 59 -3.478 38.677 -1.702 1.00 0.00 C ATOM 542 CE LYS A 59 -2.567 38.536 -0.476 1.00 0.00 C ATOM 543 NZ LYS A 59 -2.177 39.866 0.058 1.00 0.00 N ATOM 0 H LYS A 59 -4.940 35.065 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.118 34.610 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.662 36.982 -1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.286 36.201 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.852 36.789 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.225 37.503 -3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.002 39.333 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.411 39.155 -1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.081 37.966 0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.673 37.973 -0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.561 39.740 0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.667 40.398 -0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.030 40.392 0.337 1.00 0.00 H new ATOM 557 N LEU A 60 -6.015 32.911 -1.996 1.00 0.00 N ATOM 558 CA LEU A 60 -6.756 31.781 -1.411 1.00 0.00 C ATOM 559 C LEU A 60 -6.108 31.268 -0.108 1.00 0.00 C ATOM 560 O LEU A 60 -4.989 31.639 0.225 1.00 0.00 O ATOM 561 CB LEU A 60 -6.862 30.649 -2.463 1.00 0.00 C ATOM 562 CG LEU A 60 -8.260 30.517 -3.082 1.00 0.00 C ATOM 563 CD1 LEU A 60 -8.405 31.554 -4.183 1.00 0.00 C ATOM 564 CD2 LEU A 60 -8.535 29.131 -3.653 1.00 0.00 C ATOM 0 H LEU A 60 -5.470 32.638 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.754 32.126 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.138 30.833 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.590 29.703 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.987 30.678 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.395 31.472 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.279 32.552 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.645 31.384 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.540 29.104 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.807 28.908 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.455 28.388 -2.859 1.00 0.00 H new ATOM 576 N LYS A 61 -6.816 30.379 0.598 1.00 0.00 N ATOM 577 CA LYS A 61 -6.360 29.683 1.819 1.00 0.00 C ATOM 578 C LYS A 61 -5.858 28.250 1.527 1.00 0.00 C ATOM 579 O LYS A 61 -6.068 27.342 2.326 1.00 0.00 O ATOM 580 CB LYS A 61 -7.478 29.736 2.886 1.00 0.00 C ATOM 581 CG LYS A 61 -8.775 29.017 2.461 1.00 0.00 C ATOM 582 CD LYS A 61 -9.942 29.109 3.456 1.00 0.00 C ATOM 583 CE LYS A 61 -9.633 28.575 4.860 1.00 0.00 C ATOM 584 NZ LYS A 61 -9.186 29.629 5.803 1.00 0.00 N ATOM 0 H LYS A 61 -7.762 30.110 0.328 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.489 30.202 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.110 29.287 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.707 30.778 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.102 29.429 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.547 27.965 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.249 30.151 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.791 28.557 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.524 28.092 5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.860 27.810 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.212 29.430 6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.218 30.555 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.814 29.642 6.632 1.00 0.00 H new ATOM 598 N LEU A 62 -5.287 28.060 0.332 1.00 0.00 N ATOM 599 CA LEU A 62 -4.820 26.773 -0.195 1.00 0.00 C ATOM 600 C LEU A 62 -3.292 26.709 -0.228 1.00 0.00 C ATOM 601 O LEU A 62 -2.656 27.560 -0.848 1.00 0.00 O ATOM 602 CB LEU A 62 -5.332 26.535 -1.630 1.00 0.00 C ATOM 603 CG LEU A 62 -6.800 26.130 -1.788 1.00 0.00 C ATOM 604 CD1 LEU A 62 -7.061 25.939 -3.286 1.00 0.00 C ATOM 605 CD2 LEU A 62 -7.130 24.804 -1.111 1.00 0.00 C ATOM 0 H LEU A 62 -5.132 28.829 -0.320 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.212 26.006 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.169 27.448 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.716 25.759 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.410 26.908 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.100 25.649 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.863 26.873 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.405 25.159 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.185 24.573 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.520 24.012 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.921 24.878 -0.044 1.00 0.00 H new ATOM 617 N ASP A 63 -2.747 25.643 0.339 1.00 0.00 N ATOM 618 CA ASP A 63 -1.315 25.357 0.397 1.00 0.00 C ATOM 619 C ASP A 63 -0.949 24.070 -0.348 1.00 0.00 C ATOM 620 O ASP A 63 -1.826 23.328 -0.801 1.00 0.00 O ATOM 621 CB ASP A 63 -0.834 25.331 1.859 1.00 0.00 C ATOM 622 CG ASP A 63 0.279 26.347 2.055 1.00 0.00 C ATOM 623 OD1 ASP A 63 1.284 26.187 1.324 1.00 0.00 O ATOM 624 OD2 ASP A 63 0.112 27.257 2.895 1.00 0.00 O ATOM 0 H ASP A 63 -3.310 24.922 0.790 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.793 26.163 -0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.665 25.555 2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.477 24.334 2.116 1.00 0.00 H new ATOM 629 N ILE A 64 0.352 23.798 -0.474 1.00 0.00 N ATOM 630 CA ILE A 64 0.874 22.672 -1.262 1.00 0.00 C ATOM 631 C ILE A 64 1.799 21.769 -0.448 1.00 0.00 C ATOM 632 O ILE A 64 2.919 22.148 -0.094 1.00 0.00 O ATOM 633 CB ILE A 64 1.587 23.176 -2.545 1.00 0.00 C ATOM 634 CG1 ILE A 64 0.703 24.061 -3.457 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.150 21.997 -3.366 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.566 23.379 -3.973 1.00 0.00 C ATOM 0 H ILE A 64 1.081 24.356 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 64 0.015 22.068 -1.555 1.00 0.00 H new ATOM 0 HB ILE A 64 2.400 23.807 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.419 24.957 -2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.297 24.387 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.644 22.379 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.869 21.444 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.335 21.335 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.122 24.074 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.295 22.499 -4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.186 23.078 -3.129 1.00 0.00 H new ATOM 648 N ASP A 65 1.352 20.530 -0.225 1.00 0.00 N ATOM 649 CA ASP A 65 2.161 19.491 0.402 1.00 0.00 C ATOM 650 C ASP A 65 3.397 19.163 -0.470 1.00 0.00 C ATOM 651 O ASP A 65 3.334 19.038 -1.699 1.00 0.00 O ATOM 652 CB ASP A 65 1.284 18.255 0.656 1.00 0.00 C ATOM 653 CG ASP A 65 2.059 17.080 1.266 1.00 0.00 C ATOM 654 OD1 ASP A 65 3.172 17.292 1.801 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.548 15.937 1.196 1.00 0.00 O ATOM 0 H ASP A 65 0.413 20.222 -0.477 1.00 0.00 H new ATOM 0 HA ASP A 65 2.540 19.843 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.467 18.528 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.835 17.937 -0.285 1.00 0.00 H new ATOM 660 N LYS A 66 4.551 18.990 0.186 1.00 0.00 N ATOM 661 CA LYS A 66 5.850 18.682 -0.432 1.00 0.00 C ATOM 662 C LYS A 66 6.323 17.252 -0.119 1.00 0.00 C ATOM 663 O LYS A 66 7.332 16.834 -0.685 1.00 0.00 O ATOM 664 CB LYS A 66 6.900 19.739 -0.024 1.00 0.00 C ATOM 665 CG LYS A 66 6.424 21.208 -0.011 1.00 0.00 C ATOM 666 CD LYS A 66 5.760 21.759 -1.279 1.00 0.00 C ATOM 667 CE LYS A 66 6.670 21.829 -2.501 1.00 0.00 C ATOM 668 NZ LYS A 66 5.932 22.451 -3.626 1.00 0.00 N ATOM 0 H LYS A 66 4.610 19.063 1.202 1.00 0.00 H new ATOM 0 HA LYS A 66 5.723 18.726 -1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.267 19.490 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.747 19.660 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.719 21.324 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.285 21.837 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.899 21.136 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.381 22.759 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.563 22.410 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.003 20.829 -2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.550 22.500 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.093 21.879 -3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.635 23.411 -3.358 1.00 0.00 H new ATOM 682 N SER A 67 5.618 16.500 0.728 1.00 0.00 N ATOM 683 CA SER A 67 5.897 15.098 1.065 1.00 0.00 C ATOM 684 C SER A 67 5.785 14.193 -0.170 1.00 0.00 C ATOM 685 O SER A 67 6.790 13.703 -0.680 1.00 0.00 O ATOM 686 CB SER A 67 4.926 14.662 2.173 1.00 0.00 C ATOM 687 OG SER A 67 5.201 13.332 2.553 1.00 0.00 O ATOM 0 H SER A 67 4.802 16.864 1.220 1.00 0.00 H new ATOM 0 HA SER A 67 6.922 15.005 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.022 15.323 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.898 14.744 1.821 1.00 0.00 H new ATOM 0 HG SER A 67 4.581 13.059 3.261 1.00 0.00 H new ATOM 693 N VAL A 68 4.584 14.079 -0.753 1.00 0.00 N ATOM 694 CA VAL A 68 4.324 13.230 -1.942 1.00 0.00 C ATOM 695 C VAL A 68 4.913 13.827 -3.234 1.00 0.00 C ATOM 696 O VAL A 68 4.973 13.153 -4.259 1.00 0.00 O ATOM 697 CB VAL A 68 2.812 12.922 -2.110 1.00 0.00 C ATOM 698 CG1 VAL A 68 2.549 11.706 -3.013 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.139 12.605 -0.766 1.00 0.00 C ATOM 0 H VAL A 68 3.756 14.572 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 68 4.840 12.287 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 68 2.399 13.826 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.475 11.538 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.963 11.892 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.022 10.824 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.082 12.395 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.616 11.734 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.241 13.460 -0.098 1.00 0.00 H new ATOM 709 N ARG A 69 5.348 15.097 -3.203 1.00 0.00 N ATOM 710 CA ARG A 69 6.036 15.845 -4.284 1.00 0.00 C ATOM 711 C ARG A 69 5.323 15.864 -5.656 1.00 0.00 C ATOM 712 O ARG A 69 5.899 16.349 -6.626 1.00 0.00 O ATOM 713 CB ARG A 69 7.494 15.322 -4.362 1.00 0.00 C ATOM 714 CG ARG A 69 8.558 16.270 -4.956 1.00 0.00 C ATOM 715 CD ARG A 69 8.741 17.597 -4.203 1.00 0.00 C ATOM 716 NE ARG A 69 9.039 17.380 -2.774 1.00 0.00 N ATOM 717 CZ ARG A 69 10.149 17.615 -2.099 1.00 0.00 C ATOM 718 NH1 ARG A 69 11.197 18.177 -2.631 1.00 0.00 N ATOM 719 NH2 ARG A 69 10.210 17.280 -0.843 1.00 0.00 N ATOM 0 H ARG A 69 5.223 15.672 -2.370 1.00 0.00 H new ATOM 0 HA ARG A 69 6.017 16.902 -4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.809 15.051 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.492 14.406 -4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.515 15.748 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.290 16.490 -5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.550 18.166 -4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.836 18.197 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 69 8.272 16.990 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.183 18.457 -3.612 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.031 18.337 -2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.407 16.842 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.061 17.456 -0.309 1.00 0.00 H new ATOM 733 N HIS A 70 4.074 15.394 -5.743 1.00 0.00 N ATOM 734 CA HIS A 70 3.293 15.264 -6.987 1.00 0.00 C ATOM 735 C HIS A 70 2.358 16.462 -7.238 1.00 0.00 C ATOM 736 O HIS A 70 2.060 17.217 -6.317 1.00 0.00 O ATOM 737 CB HIS A 70 2.571 13.893 -6.995 1.00 0.00 C ATOM 738 CG HIS A 70 1.359 13.681 -6.090 1.00 0.00 C ATOM 739 ND1 HIS A 70 0.565 12.540 -6.075 1.00 0.00 N ATOM 740 CD2 HIS A 70 0.833 14.536 -5.155 1.00 0.00 C ATOM 741 CE1 HIS A 70 -0.422 12.711 -5.172 1.00 0.00 C ATOM 742 NE2 HIS A 70 -0.275 13.914 -4.601 1.00 0.00 N ATOM 0 H HIS A 70 3.557 15.081 -4.922 1.00 0.00 H new ATOM 0 HA HIS A 70 3.976 15.288 -7.836 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.254 13.696 -8.019 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.309 13.133 -6.738 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.212 15.514 -4.898 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.201 11.997 -4.947 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.878 14.307 -3.879 1.00 0.00 H new ATOM 751 N LEU A 71 1.834 16.591 -8.460 1.00 0.00 N ATOM 752 CA LEU A 71 0.966 17.697 -8.892 1.00 0.00 C ATOM 753 C LEU A 71 -0.462 17.209 -9.160 1.00 0.00 C ATOM 754 O LEU A 71 -1.004 17.447 -10.231 1.00 0.00 O ATOM 755 CB LEU A 71 1.564 18.403 -10.127 1.00 0.00 C ATOM 756 CG LEU A 71 2.969 19.007 -9.945 1.00 0.00 C ATOM 757 CD1 LEU A 71 3.407 19.642 -11.265 1.00 0.00 C ATOM 758 CD2 LEU A 71 3.009 20.092 -8.864 1.00 0.00 C ATOM 0 H LEU A 71 2.005 15.910 -9.200 1.00 0.00 H new ATOM 0 HA LEU A 71 0.911 18.425 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.602 17.687 -10.948 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.884 19.199 -10.430 1.00 0.00 H new ATOM 0 HG LEU A 71 3.632 18.198 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.401 20.074 -11.149 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.431 18.881 -12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.702 20.425 -11.544 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.023 20.483 -8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.330 20.901 -9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.702 19.666 -7.909 1.00 0.00 H new ATOM 770 N TYR A 72 -1.073 16.519 -8.199 1.00 0.00 N ATOM 771 CA TYR A 72 -2.449 16.017 -8.302 1.00 0.00 C ATOM 772 C TYR A 72 -3.359 16.692 -7.285 1.00 0.00 C ATOM 773 O TYR A 72 -2.907 17.046 -6.193 1.00 0.00 O ATOM 774 CB TYR A 72 -2.471 14.500 -8.102 1.00 0.00 C ATOM 775 CG TYR A 72 -2.154 13.762 -9.380 1.00 0.00 C ATOM 776 CD1 TYR A 72 -3.134 13.703 -10.387 1.00 0.00 C ATOM 777 CD2 TYR A 72 -0.885 13.194 -9.590 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.855 13.060 -11.602 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.598 12.552 -10.811 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.590 12.481 -11.817 1.00 0.00 C ATOM 781 OH TYR A 72 -1.318 11.884 -13.003 1.00 0.00 O ATOM 0 H TYR A 72 -0.623 16.288 -7.313 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.822 16.253 -9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.748 14.224 -7.334 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.453 14.195 -7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.102 14.153 -10.225 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.132 13.250 -8.818 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.610 13.009 -12.372 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.376 12.116 -10.978 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.402 11.536 -12.991 1.00 0.00 H new ATOM 791 N ILE A 73 -4.634 16.839 -7.652 1.00 0.00 N ATOM 792 CA ILE A 73 -5.691 17.360 -6.782 1.00 0.00 C ATOM 793 C ILE A 73 -6.975 16.531 -6.952 1.00 0.00 C ATOM 794 O ILE A 73 -7.138 15.818 -7.947 1.00 0.00 O ATOM 795 CB ILE A 73 -5.954 18.873 -7.030 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.695 19.165 -8.353 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.650 19.689 -6.976 1.00 0.00 C ATOM 798 CD1 ILE A 73 -7.090 20.635 -8.559 1.00 0.00 C ATOM 0 H ILE A 73 -4.968 16.593 -8.584 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.354 17.267 -5.750 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.612 19.184 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.062 18.854 -9.184 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.596 18.552 -8.391 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.872 20.741 -7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.190 19.576 -5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.963 19.329 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.605 20.743 -9.514 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.752 20.950 -7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.194 21.256 -8.557 1.00 0.00 H new ATOM 810 N CYS A 74 -7.902 16.634 -6.003 1.00 0.00 N ATOM 811 CA CYS A 74 -9.226 16.026 -6.094 1.00 0.00 C ATOM 812 C CYS A 74 -10.194 16.884 -6.931 1.00 0.00 C ATOM 813 O CYS A 74 -10.038 18.107 -7.037 1.00 0.00 O ATOM 814 CB CYS A 74 -9.720 15.759 -4.669 1.00 0.00 C ATOM 815 SG CYS A 74 -9.963 17.300 -3.760 1.00 0.00 S ATOM 0 H CYS A 74 -7.752 17.150 -5.136 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.174 15.077 -6.628 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.657 15.204 -4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.999 15.134 -4.143 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.419 17.200 -2.584 1.00 0.00 H new ATOM 820 N ASP A 75 -11.232 16.270 -7.511 1.00 0.00 N ATOM 821 CA ASP A 75 -12.227 17.016 -8.305 1.00 0.00 C ATOM 822 C ASP A 75 -13.025 18.030 -7.449 1.00 0.00 C ATOM 823 O ASP A 75 -13.442 19.089 -7.923 1.00 0.00 O ATOM 824 CB ASP A 75 -13.151 16.063 -9.084 1.00 0.00 C ATOM 825 CG ASP A 75 -13.500 16.688 -10.439 1.00 0.00 C ATOM 826 OD1 ASP A 75 -12.647 16.605 -11.351 1.00 0.00 O ATOM 827 OD2 ASP A 75 -14.548 17.367 -10.546 1.00 0.00 O ATOM 0 H ASP A 75 -11.408 15.267 -7.449 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.674 17.605 -9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -12.660 15.101 -9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.060 15.873 -8.514 1.00 0.00 H new ATOM 832 N PHE A 76 -13.150 17.757 -6.144 1.00 0.00 N ATOM 833 CA PHE A 76 -13.753 18.662 -5.159 1.00 0.00 C ATOM 834 C PHE A 76 -12.976 19.989 -5.134 1.00 0.00 C ATOM 835 O PHE A 76 -13.545 21.065 -5.326 1.00 0.00 O ATOM 836 CB PHE A 76 -13.741 17.957 -3.789 1.00 0.00 C ATOM 837 CG PHE A 76 -14.726 18.510 -2.778 1.00 0.00 C ATOM 838 CD1 PHE A 76 -14.570 19.807 -2.254 1.00 0.00 C ATOM 839 CD2 PHE A 76 -15.807 17.715 -2.350 1.00 0.00 C ATOM 840 CE1 PHE A 76 -15.494 20.307 -1.319 1.00 0.00 C ATOM 841 CE2 PHE A 76 -16.726 18.213 -1.411 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.571 19.511 -0.894 1.00 0.00 C ATOM 0 H PHE A 76 -12.827 16.880 -5.735 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.785 18.898 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.953 16.898 -3.940 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.737 18.025 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.739 20.420 -2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -15.930 16.718 -2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.375 21.306 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -17.552 17.598 -1.086 1.00 0.00 H new ATOM 0 HZ PHE A 76 -17.277 19.895 -0.173 1.00 0.00 H new ATOM 852 N HIS A 77 -11.646 19.917 -4.981 1.00 0.00 N ATOM 853 CA HIS A 77 -10.781 21.095 -5.051 1.00 0.00 C ATOM 854 C HIS A 77 -10.657 21.685 -6.458 1.00 0.00 C ATOM 855 O HIS A 77 -10.489 22.900 -6.580 1.00 0.00 O ATOM 856 CB HIS A 77 -9.399 20.783 -4.467 1.00 0.00 C ATOM 857 CG HIS A 77 -9.278 21.040 -2.967 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.569 20.262 -2.021 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.799 22.123 -2.323 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.701 20.913 -0.844 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.437 22.023 -1.005 1.00 0.00 N ATOM 0 H HIS A 77 -11.146 19.045 -4.807 1.00 0.00 H new ATOM 0 HA HIS A 77 -11.264 21.863 -4.447 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.161 19.738 -4.665 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.653 21.384 -4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.387 22.912 -2.768 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.275 20.586 0.093 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.686 22.683 -0.268 1.00 0.00 H new ATOM 869 N LYS A 78 -10.769 20.869 -7.518 1.00 0.00 N ATOM 870 CA LYS A 78 -10.805 21.364 -8.907 1.00 0.00 C ATOM 871 C LYS A 78 -11.933 22.386 -9.063 1.00 0.00 C ATOM 872 O LYS A 78 -11.685 23.480 -9.569 1.00 0.00 O ATOM 873 CB LYS A 78 -10.986 20.198 -9.897 1.00 0.00 C ATOM 874 CG LYS A 78 -10.978 20.627 -11.380 1.00 0.00 C ATOM 875 CD LYS A 78 -11.624 19.587 -12.312 1.00 0.00 C ATOM 876 CE LYS A 78 -13.126 19.371 -12.063 1.00 0.00 C ATOM 877 NZ LYS A 78 -14.000 20.444 -12.585 1.00 0.00 N ATOM 0 H LYS A 78 -10.837 19.854 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.856 21.850 -9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.190 19.471 -9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.928 19.694 -9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.507 21.575 -11.481 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.949 20.801 -11.696 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.479 19.901 -13.346 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.106 18.636 -12.192 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.423 18.426 -12.517 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.292 19.275 -10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.881 20.474 -12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.511 21.359 -12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.223 20.255 -13.583 1.00 0.00 H new ATOM 891 N ASN A 79 -13.150 22.063 -8.611 1.00 0.00 N ATOM 892 CA ASN A 79 -14.273 23.007 -8.653 1.00 0.00 C ATOM 893 C ASN A 79 -13.978 24.252 -7.804 1.00 0.00 C ATOM 894 O ASN A 79 -14.148 25.364 -8.294 1.00 0.00 O ATOM 895 CB ASN A 79 -15.589 22.317 -8.244 1.00 0.00 C ATOM 896 CG ASN A 79 -16.818 23.116 -8.676 1.00 0.00 C ATOM 897 OD1 ASN A 79 -16.965 24.298 -8.416 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.732 22.505 -9.393 1.00 0.00 N ATOM 0 H ASN A 79 -13.383 21.154 -8.211 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.398 23.347 -9.681 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.629 21.323 -8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.606 22.183 -7.162 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.549 23.019 -9.723 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.625 21.516 -9.620 1.00 0.00 H new ATOM 905 N PHE A 80 -13.456 24.107 -6.578 1.00 0.00 N ATOM 906 CA PHE A 80 -13.156 25.253 -5.709 1.00 0.00 C ATOM 907 C PHE A 80 -12.259 26.311 -6.377 1.00 0.00 C ATOM 908 O PHE A 80 -12.611 27.494 -6.382 1.00 0.00 O ATOM 909 CB PHE A 80 -12.544 24.756 -4.389 1.00 0.00 C ATOM 910 CG PHE A 80 -12.345 25.843 -3.347 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.441 26.624 -2.923 1.00 0.00 C ATOM 912 CD2 PHE A 80 -11.084 26.034 -2.749 1.00 0.00 C ATOM 913 CE1 PHE A 80 -13.278 27.584 -1.909 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.927 26.985 -1.727 1.00 0.00 C ATOM 915 CZ PHE A 80 -12.022 27.755 -1.302 1.00 0.00 C ATOM 0 H PHE A 80 -13.232 23.202 -6.164 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.100 25.759 -5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.188 23.982 -3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.581 24.290 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.410 26.484 -3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.237 25.449 -3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.116 28.189 -1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.960 27.125 -1.266 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.899 28.478 -0.509 1.00 0.00 H new ATOM 925 N ILE A 81 -11.156 25.900 -7.016 1.00 0.00 N ATOM 926 CA ILE A 81 -10.226 26.824 -7.689 1.00 0.00 C ATOM 927 C ILE A 81 -10.854 27.418 -8.975 1.00 0.00 C ATOM 928 O ILE A 81 -10.613 28.576 -9.319 1.00 0.00 O ATOM 929 CB ILE A 81 -8.862 26.146 -7.950 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.266 25.543 -6.652 1.00 0.00 C ATOM 931 CG2 ILE A 81 -7.893 27.208 -8.505 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.078 24.602 -6.889 1.00 0.00 C ATOM 0 H ILE A 81 -10.881 24.920 -7.083 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.037 27.664 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.006 25.333 -8.661 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.948 26.356 -5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.049 24.998 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.922 26.750 -8.697 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.292 27.615 -9.434 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.778 28.011 -7.777 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.718 24.222 -5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.394 23.768 -7.515 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.276 25.147 -7.388 1.00 0.00 H new ATOM 944 N GLN A 82 -11.703 26.654 -9.667 1.00 0.00 N ATOM 945 CA GLN A 82 -12.451 27.141 -10.835 1.00 0.00 C ATOM 946 C GLN A 82 -13.568 28.129 -10.450 1.00 0.00 C ATOM 947 O GLN A 82 -13.856 29.056 -11.207 1.00 0.00 O ATOM 948 CB GLN A 82 -13.019 25.943 -11.619 1.00 0.00 C ATOM 949 CG GLN A 82 -11.889 25.164 -12.316 1.00 0.00 C ATOM 950 CD GLN A 82 -12.347 23.915 -13.070 1.00 0.00 C ATOM 951 OE1 GLN A 82 -13.210 23.141 -12.676 1.00 0.00 O ATOM 952 NE2 GLN A 82 -11.766 23.641 -14.217 1.00 0.00 N ATOM 0 H GLN A 82 -11.893 25.679 -9.435 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.758 27.694 -11.469 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.559 25.282 -10.941 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -13.736 26.294 -12.361 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.385 25.830 -13.016 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.153 24.871 -11.568 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.042 24.259 -14.582 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.040 22.810 -14.742 1.00 0.00 H new