USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 467 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 117 ASN : amide:sc= 0 X(o=0,f=0.0012) USER MOD Set 1.2: A 121 SER OG : rot 94:sc= 0 USER MOD Set 2.1: A 92 SER OG : rot 140:sc= -0.791 USER MOD Set 2.2: A 96 LYS NZ :NH3+ 157:sc= -0.129 (180deg=-0.517) USER MOD Set 3.1: A 90 GLN : amide:sc= -1.27 K(o=-2.1,f=-0.74) USER MOD Set 3.2: A 91 LYS NZ :NH3+ -152:sc= -0.827 (180deg=-0.532) USER MOD Set 4.1: A 67 CYS SG : rot -160:sc= 0.994 USER MOD Set 4.2: A 76 CYS SG : rot -173:sc= 0.0484 USER MOD Set 4.3: A 112 CYS SG : rot -87:sc= 0.202 USER MOD Set 4.4: A 115 HIS : no HE2:sc= -1.22 K(o=0.022,f=-1.7!) USER MOD Set 5.1: A 68 CYS SG : rot 180:sc= -0.664 USER MOD Set 5.2: A 108 HIS : no HD1:sc= -0.734 X(o=-1.4,f=-1.6) USER MOD Single : A 65 GLN : amide:sc= -0.0894 K(o=-0.089,f=-3.3!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 84 SER OG : rot -58:sc= 0.00577 USER MOD Single : A 86 SER OG : rot 180:sc= -0.073 USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= -0.13 (180deg=-0.592) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.87) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -148:sc= -0.156 (180deg=-1.15!) USER MOD Single : A 104 LYS NZ :NH3+ -158:sc= -0.132 (180deg=-0.673) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 139:sc= -0.151 (180deg=-0.752) USER MOD Single : A 120 GLN : amide:sc= -0.68 K(o=-0.68,f=0) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 65 -11.079 -5.003 8.053 1.00 0.00 N ATOM 46 CA GLN A 65 -11.054 -5.436 6.660 1.00 0.00 C ATOM 47 C GLN A 65 -9.710 -6.036 6.273 1.00 0.00 C ATOM 48 O GLN A 65 -8.787 -6.108 7.084 1.00 0.00 O ATOM 49 CB GLN A 65 -11.348 -4.246 5.747 1.00 0.00 C ATOM 50 CG GLN A 65 -12.652 -3.537 6.065 1.00 0.00 C ATOM 51 CD GLN A 65 -13.855 -4.250 5.490 1.00 0.00 C ATOM 52 OE1 GLN A 65 -13.884 -5.477 5.404 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.851 -3.481 5.075 1.00 0.00 N ATOM 0 HA GLN A 65 -11.816 -6.207 6.543 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.529 -3.531 5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.376 -4.591 4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.764 -3.457 7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.614 -2.521 5.672 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.785 -2.467 5.166 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.684 -3.903 4.665 1.00 0.00 H new ATOM 62 N LEU A 66 -9.613 -6.462 5.017 1.00 0.00 N ATOM 63 CA LEU A 66 -8.387 -7.046 4.491 1.00 0.00 C ATOM 64 C LEU A 66 -7.706 -6.079 3.527 1.00 0.00 C ATOM 65 O LEU A 66 -8.322 -5.127 3.048 1.00 0.00 O ATOM 66 CB LEU A 66 -8.683 -8.368 3.776 1.00 0.00 C ATOM 67 CG LEU A 66 -9.202 -9.493 4.673 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.392 -10.770 3.867 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.251 -9.731 5.834 1.00 0.00 C ATOM 0 H LEU A 66 -10.376 -6.412 4.342 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.718 -7.241 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.417 -8.182 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.772 -8.708 3.284 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.169 -9.194 5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.762 -11.561 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.112 -10.592 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.438 -11.073 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.637 -10.535 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.270 -10.010 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.163 -8.820 6.425 1.00 0.00 H new ATOM 81 N CYS A 67 -6.433 -6.332 3.250 1.00 0.00 N ATOM 82 CA CYS A 67 -5.653 -5.497 2.343 1.00 0.00 C ATOM 83 C CYS A 67 -6.255 -5.507 0.935 1.00 0.00 C ATOM 84 O CYS A 67 -6.781 -6.526 0.487 1.00 0.00 O ATOM 85 CB CYS A 67 -4.213 -6.004 2.308 1.00 0.00 C ATOM 86 SG CYS A 67 -3.115 -5.085 1.208 1.00 0.00 S ATOM 0 H CYS A 67 -5.914 -7.117 3.645 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.670 -4.469 2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.805 -5.969 3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.218 -7.050 2.003 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.076 -5.813 0.925 1.00 0.00 H new ATOM 91 N CYS A 68 -6.166 -4.371 0.237 1.00 0.00 N ATOM 92 CA CYS A 68 -6.718 -4.254 -1.116 1.00 0.00 C ATOM 93 C CYS A 68 -5.626 -4.235 -2.181 1.00 0.00 C ATOM 94 O CYS A 68 -5.793 -3.632 -3.241 1.00 0.00 O ATOM 95 CB CYS A 68 -7.583 -2.995 -1.231 1.00 0.00 C ATOM 96 SG CYS A 68 -9.230 -3.178 -0.502 1.00 0.00 S ATOM 0 H CYS A 68 -5.719 -3.523 0.585 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.335 -5.136 -1.291 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.070 -2.166 -0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.688 -2.731 -2.283 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.892 -2.068 -0.641 1.00 0.00 H new ATOM 102 N LEU A 69 -4.506 -4.889 -1.896 1.00 0.00 N ATOM 103 CA LEU A 69 -3.407 -4.969 -2.849 1.00 0.00 C ATOM 104 C LEU A 69 -3.125 -6.421 -3.208 1.00 0.00 C ATOM 105 O LEU A 69 -3.667 -7.338 -2.592 1.00 0.00 O ATOM 106 CB LEU A 69 -2.148 -4.319 -2.281 1.00 0.00 C ATOM 107 CG LEU A 69 -2.301 -2.849 -1.909 1.00 0.00 C ATOM 108 CD1 LEU A 69 -0.995 -2.299 -1.356 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.755 -2.038 -3.115 1.00 0.00 C ATOM 0 H LEU A 69 -4.336 -5.371 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.698 -4.429 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.838 -4.873 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.346 -4.413 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.063 -2.768 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.124 -1.248 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.711 -2.861 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.213 -2.393 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.859 -0.991 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.016 -2.126 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.715 -2.416 -3.467 1.00 0.00 H new ATOM 121 N ARG A 70 -2.274 -6.624 -4.205 1.00 0.00 N ATOM 122 CA ARG A 70 -1.930 -7.969 -4.642 1.00 0.00 C ATOM 123 C ARG A 70 -0.433 -8.107 -4.872 1.00 0.00 C ATOM 124 O ARG A 70 0.117 -7.515 -5.800 1.00 0.00 O ATOM 125 CB ARG A 70 -2.675 -8.314 -5.930 1.00 0.00 C ATOM 126 CG ARG A 70 -4.164 -8.020 -5.869 1.00 0.00 C ATOM 127 CD ARG A 70 -4.919 -8.672 -7.020 1.00 0.00 C ATOM 128 NE ARG A 70 -4.705 -10.123 -7.075 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.673 -11.044 -7.123 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.959 -10.703 -7.135 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.347 -12.329 -7.167 1.00 0.00 N ATOM 0 H ARG A 70 -1.811 -5.878 -4.724 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.226 -8.660 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.236 -7.753 -6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.531 -9.372 -6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.566 -8.379 -4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.323 -6.942 -5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.985 -8.468 -6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.600 -8.224 -7.961 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.741 -10.455 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.226 -9.719 -7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.678 -11.426 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.365 -12.607 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.078 -13.040 -7.204 1.00 0.00 H new ATOM 145 N GLU A 71 0.226 -8.886 -4.023 1.00 0.00 N ATOM 146 CA GLU A 71 1.657 -9.107 -4.162 1.00 0.00 C ATOM 147 C GLU A 71 1.910 -10.344 -5.012 1.00 0.00 C ATOM 148 O GLU A 71 1.682 -11.471 -4.571 1.00 0.00 O ATOM 149 CB GLU A 71 2.323 -9.261 -2.795 1.00 0.00 C ATOM 150 CG GLU A 71 3.840 -9.338 -2.873 1.00 0.00 C ATOM 151 CD GLU A 71 4.495 -9.397 -1.508 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.984 -8.742 -0.575 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.523 -10.094 -1.374 1.00 0.00 O ATOM 0 H GLU A 71 -0.205 -9.372 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 71 2.093 -8.238 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.040 -8.419 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.944 -10.162 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.126 -10.220 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.216 -8.470 -3.414 1.00 0.00 H new ATOM 160 N ASP A 72 2.374 -10.125 -6.237 1.00 0.00 N ATOM 161 CA ASP A 72 2.643 -11.218 -7.161 1.00 0.00 C ATOM 162 C ASP A 72 1.369 -12.011 -7.444 1.00 0.00 C ATOM 163 O ASP A 72 1.426 -13.166 -7.866 1.00 0.00 O ATOM 164 CB ASP A 72 3.724 -12.142 -6.598 1.00 0.00 C ATOM 165 CG ASP A 72 5.027 -11.411 -6.344 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.858 -11.333 -7.274 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.218 -10.914 -5.214 1.00 0.00 O ATOM 0 H ASP A 72 2.572 -9.198 -6.613 1.00 0.00 H new ATOM 0 HA ASP A 72 3.001 -10.791 -8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.371 -12.586 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.899 -12.961 -7.296 1.00 0.00 H new ATOM 172 N GLY A 73 0.218 -11.383 -7.209 1.00 0.00 N ATOM 173 CA GLY A 73 -1.049 -12.043 -7.455 1.00 0.00 C ATOM 174 C GLY A 73 -1.762 -12.466 -6.184 1.00 0.00 C ATOM 175 O GLY A 73 -2.951 -12.782 -6.216 1.00 0.00 O ATOM 0 H GLY A 73 0.143 -10.430 -6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.696 -11.373 -8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.878 -12.922 -8.077 1.00 0.00 H new ATOM 179 N GLU A 74 -1.049 -12.472 -5.059 1.00 0.00 N ATOM 180 CA GLU A 74 -1.652 -12.879 -3.791 1.00 0.00 C ATOM 181 C GLU A 74 -2.307 -11.710 -3.072 1.00 0.00 C ATOM 182 O GLU A 74 -1.758 -10.610 -3.009 1.00 0.00 O ATOM 183 CB GLU A 74 -0.621 -13.557 -2.881 1.00 0.00 C ATOM 184 CG GLU A 74 -0.255 -14.975 -3.305 1.00 0.00 C ATOM 185 CD GLU A 74 -1.436 -15.753 -3.863 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.211 -16.319 -3.064 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.593 -15.776 -5.101 1.00 0.00 O ATOM 0 H GLU A 74 -0.067 -12.204 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.433 -13.601 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.284 -12.950 -2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.011 -13.583 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.532 -14.931 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.153 -15.510 -2.448 1.00 0.00 H new ATOM 194 N ARG A 75 -3.489 -11.975 -2.519 1.00 0.00 N ATOM 195 CA ARG A 75 -4.259 -10.959 -1.814 1.00 0.00 C ATOM 196 C ARG A 75 -3.755 -10.748 -0.388 1.00 0.00 C ATOM 197 O ARG A 75 -4.498 -10.948 0.566 1.00 0.00 O ATOM 198 CB ARG A 75 -5.734 -11.367 -1.771 1.00 0.00 C ATOM 199 CG ARG A 75 -6.396 -11.435 -3.138 1.00 0.00 C ATOM 200 CD ARG A 75 -6.568 -10.050 -3.732 1.00 0.00 C ATOM 201 NE ARG A 75 -7.044 -9.088 -2.740 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.329 -8.874 -2.462 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.278 -9.545 -3.103 1.00 0.00 N ATOM 204 NH2 ARG A 75 -8.666 -7.988 -1.536 1.00 0.00 N ATOM 0 H ARG A 75 -3.935 -12.892 -2.548 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.140 -10.021 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.817 -12.341 -1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.279 -10.657 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.793 -12.049 -3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.368 -11.920 -3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.617 -9.709 -4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.274 -10.096 -4.562 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.348 -8.546 -2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.026 -10.231 -3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.260 -9.375 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.942 -7.471 -1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.650 -7.823 -1.322 1.00 0.00 H new ATOM 218 N CYS A 76 -2.499 -10.319 -0.271 1.00 0.00 N ATOM 219 CA CYS A 76 -1.863 -10.039 1.022 1.00 0.00 C ATOM 220 C CYS A 76 -2.319 -10.991 2.145 1.00 0.00 C ATOM 221 O CYS A 76 -1.638 -11.973 2.440 1.00 0.00 O ATOM 222 CB CYS A 76 -2.112 -8.576 1.406 1.00 0.00 C ATOM 223 SG CYS A 76 -0.851 -7.854 2.479 1.00 0.00 S ATOM 0 H CYS A 76 -1.889 -10.154 -1.072 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.794 -10.214 0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.179 -7.981 0.495 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.079 -8.505 1.905 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.235 -6.674 2.866 1.00 0.00 H new ATOM 228 N GLY A 77 -3.463 -10.704 2.772 1.00 0.00 N ATOM 229 CA GLY A 77 -3.946 -11.545 3.852 1.00 0.00 C ATOM 230 C GLY A 77 -3.993 -10.813 5.182 1.00 0.00 C ATOM 231 O GLY A 77 -4.622 -11.281 6.132 1.00 0.00 O ATOM 0 H GLY A 77 -4.059 -9.907 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.943 -11.910 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.301 -12.419 3.944 1.00 0.00 H new ATOM 235 N ARG A 78 -3.323 -9.663 5.254 1.00 0.00 N ATOM 236 CA ARG A 78 -3.296 -8.870 6.478 1.00 0.00 C ATOM 237 C ARG A 78 -4.474 -7.898 6.516 1.00 0.00 C ATOM 238 O ARG A 78 -5.058 -7.577 5.481 1.00 0.00 O ATOM 239 CB ARG A 78 -1.975 -8.103 6.583 1.00 0.00 C ATOM 240 CG ARG A 78 -1.683 -7.584 7.982 1.00 0.00 C ATOM 241 CD ARG A 78 -0.459 -6.683 8.005 1.00 0.00 C ATOM 242 NE ARG A 78 -0.776 -5.350 8.512 1.00 0.00 N ATOM 243 CZ ARG A 78 -1.263 -5.119 9.728 1.00 0.00 C ATOM 244 NH1 ARG A 78 -1.438 -6.122 10.576 1.00 0.00 N ATOM 245 NH2 ARG A 78 -1.561 -3.884 10.106 1.00 0.00 N ATOM 0 H ARG A 78 -2.793 -9.262 4.480 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.379 -9.547 7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.160 -8.755 6.269 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.996 -7.262 5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.547 -7.033 8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.528 -8.426 8.657 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.313 -7.135 8.628 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.049 -6.601 6.998 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.615 -4.551 7.899 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.199 -7.074 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.812 -5.943 11.508 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.417 -3.105 9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.934 -3.712 11.040 1.00 0.00 H new ATOM 259 N ALA A 79 -4.818 -7.436 7.713 1.00 0.00 N ATOM 260 CA ALA A 79 -5.930 -6.509 7.886 1.00 0.00 C ATOM 261 C ALA A 79 -5.602 -5.118 7.347 1.00 0.00 C ATOM 262 O ALA A 79 -4.439 -4.723 7.280 1.00 0.00 O ATOM 263 CB ALA A 79 -6.315 -6.421 9.354 1.00 0.00 C ATOM 0 H ALA A 79 -4.342 -7.689 8.579 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.772 -6.896 7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.146 -5.726 9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.613 -7.407 9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.462 -6.067 9.933 1.00 0.00 H new ATOM 269 N ALA A 80 -6.645 -4.385 6.959 1.00 0.00 N ATOM 270 CA ALA A 80 -6.482 -3.030 6.444 1.00 0.00 C ATOM 271 C ALA A 80 -6.451 -2.033 7.597 1.00 0.00 C ATOM 272 O ALA A 80 -7.243 -2.135 8.534 1.00 0.00 O ATOM 273 CB ALA A 80 -7.606 -2.693 5.475 1.00 0.00 C ATOM 0 H ALA A 80 -7.612 -4.709 6.992 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.536 -2.969 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.471 -1.679 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.590 -3.394 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.564 -2.764 5.990 1.00 0.00 H new ATOM 279 N GLY A 81 -5.540 -1.068 7.524 1.00 0.00 N ATOM 280 CA GLY A 81 -5.416 -0.090 8.590 1.00 0.00 C ATOM 281 C GLY A 81 -5.992 1.272 8.247 1.00 0.00 C ATOM 282 O GLY A 81 -6.895 1.390 7.417 1.00 0.00 O ATOM 0 H GLY A 81 -4.888 -0.946 6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.917 -0.472 9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.362 0.026 8.843 1.00 0.00 H new ATOM 286 N ASN A 82 -5.454 2.301 8.896 1.00 0.00 N ATOM 287 CA ASN A 82 -5.908 3.674 8.699 1.00 0.00 C ATOM 288 C ASN A 82 -5.345 4.293 7.418 1.00 0.00 C ATOM 289 O ASN A 82 -5.695 5.419 7.065 1.00 0.00 O ATOM 290 CB ASN A 82 -5.489 4.526 9.901 1.00 0.00 C ATOM 291 CG ASN A 82 -6.439 5.679 10.159 1.00 0.00 C ATOM 292 OD1 ASN A 82 -6.393 6.703 9.478 1.00 0.00 O ATOM 293 ND2 ASN A 82 -7.298 5.521 11.159 1.00 0.00 N ATOM 0 H ASN A 82 -4.694 2.207 9.570 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.994 3.651 8.605 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.440 3.895 10.789 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.486 4.918 9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.955 6.266 11.389 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.301 4.654 11.697 1.00 0.00 H new ATOM 300 N ALA A 83 -4.472 3.566 6.726 1.00 0.00 N ATOM 301 CA ALA A 83 -3.870 4.073 5.498 1.00 0.00 C ATOM 302 C ALA A 83 -4.802 3.903 4.303 1.00 0.00 C ATOM 303 O ALA A 83 -5.621 2.985 4.264 1.00 0.00 O ATOM 304 CB ALA A 83 -2.543 3.379 5.235 1.00 0.00 C ATOM 0 H ALA A 83 -4.168 2.630 6.993 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.694 5.140 5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.105 3.767 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.864 3.565 6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.707 2.306 5.134 1.00 0.00 H new ATOM 310 N SER A 84 -4.664 4.797 3.331 1.00 0.00 N ATOM 311 CA SER A 84 -5.483 4.752 2.127 1.00 0.00 C ATOM 312 C SER A 84 -4.604 4.768 0.882 1.00 0.00 C ATOM 313 O SER A 84 -3.497 5.305 0.900 1.00 0.00 O ATOM 314 CB SER A 84 -6.442 5.945 2.091 1.00 0.00 C ATOM 315 OG SER A 84 -7.176 6.051 3.298 1.00 0.00 O ATOM 0 H SER A 84 -3.991 5.563 3.354 1.00 0.00 H new ATOM 0 HA SER A 84 -6.060 3.828 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.878 6.863 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.130 5.836 1.253 1.00 0.00 H new ATOM 0 HG SER A 84 -7.678 5.223 3.450 1.00 0.00 H new ATOM 321 N PHE A 85 -5.098 4.168 -0.194 1.00 0.00 N ATOM 322 CA PHE A 85 -4.361 4.136 -1.451 1.00 0.00 C ATOM 323 C PHE A 85 -4.500 5.478 -2.158 1.00 0.00 C ATOM 324 O PHE A 85 -5.567 6.092 -2.131 1.00 0.00 O ATOM 325 CB PHE A 85 -4.884 3.007 -2.338 1.00 0.00 C ATOM 326 CG PHE A 85 -4.164 2.871 -3.649 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.874 2.364 -3.703 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.787 3.233 -4.833 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.221 2.223 -4.914 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.142 3.090 -6.045 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.859 2.585 -6.086 1.00 0.00 C ATOM 0 H PHE A 85 -6.003 3.698 -0.222 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.306 3.952 -1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.805 2.066 -1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.943 3.174 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.374 2.076 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.790 3.632 -4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.215 1.831 -4.944 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.641 3.373 -6.960 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.353 2.472 -7.033 1.00 0.00 H new ATOM 341 N SER A 86 -3.426 5.937 -2.787 1.00 0.00 N ATOM 342 CA SER A 86 -3.449 7.222 -3.475 1.00 0.00 C ATOM 343 C SER A 86 -2.511 7.239 -4.678 1.00 0.00 C ATOM 344 O SER A 86 -1.920 6.221 -5.036 1.00 0.00 O ATOM 345 CB SER A 86 -3.066 8.334 -2.496 1.00 0.00 C ATOM 346 OG SER A 86 -1.883 8.001 -1.789 1.00 0.00 O ATOM 0 H SER A 86 -2.535 5.444 -2.835 1.00 0.00 H new ATOM 0 HA SER A 86 -4.461 7.387 -3.846 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.919 9.267 -3.039 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.881 8.500 -1.791 1.00 0.00 H new ATOM 0 HG SER A 86 -1.656 8.727 -1.171 1.00 0.00 H new ATOM 352 N LYS A 87 -2.391 8.411 -5.301 1.00 0.00 N ATOM 353 CA LYS A 87 -1.524 8.589 -6.462 1.00 0.00 C ATOM 354 C LYS A 87 -0.057 8.536 -6.040 1.00 0.00 C ATOM 355 O LYS A 87 0.776 7.930 -6.713 1.00 0.00 O ATOM 356 CB LYS A 87 -1.821 9.932 -7.134 1.00 0.00 C ATOM 357 CG LYS A 87 -3.304 10.198 -7.342 1.00 0.00 C ATOM 358 CD LYS A 87 -3.766 9.733 -8.712 1.00 0.00 C ATOM 359 CE LYS A 87 -5.096 9.002 -8.638 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.015 7.784 -7.786 1.00 0.00 N ATOM 0 H LYS A 87 -2.888 9.256 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.717 7.783 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.399 10.733 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.316 9.964 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.878 9.686 -6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.502 11.264 -7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.860 10.593 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.013 9.075 -9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.857 9.673 -8.240 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.412 8.722 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.715 7.087 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.061 7.375 -7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.212 8.038 -6.797 1.00 0.00 H new ATOM 374 N ARG A 88 0.245 9.188 -4.923 1.00 0.00 N ATOM 375 CA ARG A 88 1.600 9.215 -4.382 1.00 0.00 C ATOM 376 C ARG A 88 2.118 7.798 -4.194 1.00 0.00 C ATOM 377 O ARG A 88 3.252 7.489 -4.556 1.00 0.00 O ATOM 378 CB ARG A 88 1.600 9.967 -3.044 1.00 0.00 C ATOM 379 CG ARG A 88 2.895 9.850 -2.258 1.00 0.00 C ATOM 380 CD ARG A 88 2.673 9.196 -0.901 1.00 0.00 C ATOM 381 NE ARG A 88 1.588 9.827 -0.148 1.00 0.00 N ATOM 382 CZ ARG A 88 1.748 10.879 0.653 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.938 11.453 0.775 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.713 11.366 1.324 1.00 0.00 N ATOM 0 H ARG A 88 -0.436 9.709 -4.370 1.00 0.00 H new ATOM 0 HA ARG A 88 2.258 9.731 -5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.398 11.021 -3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.781 9.591 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.616 9.266 -2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.327 10.841 -2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.446 8.139 -1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.594 9.249 -0.320 1.00 0.00 H new ATOM 0 HE ARG A 88 0.650 9.437 -0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.736 11.089 0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.055 12.258 1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.206 10.935 1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.836 12.172 1.937 1.00 0.00 H new ATOM 398 N ILE A 89 1.280 6.938 -3.627 1.00 0.00 N ATOM 399 CA ILE A 89 1.660 5.552 -3.412 1.00 0.00 C ATOM 400 C ILE A 89 1.873 4.858 -4.752 1.00 0.00 C ATOM 401 O ILE A 89 2.774 4.037 -4.899 1.00 0.00 O ATOM 402 CB ILE A 89 0.606 4.797 -2.583 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.420 5.483 -1.227 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.015 3.344 -2.398 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.533 4.758 -0.304 1.00 0.00 C ATOM 0 H ILE A 89 0.340 7.176 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 89 2.592 5.543 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.344 4.816 -3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.390 5.570 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.053 6.497 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.258 2.825 -1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.108 2.865 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.972 3.299 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.614 5.303 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.515 4.694 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.158 3.753 -0.110 1.00 0.00 H new ATOM 417 N GLN A 90 1.038 5.199 -5.731 1.00 0.00 N ATOM 418 CA GLN A 90 1.162 4.631 -7.069 1.00 0.00 C ATOM 419 C GLN A 90 2.523 4.994 -7.638 1.00 0.00 C ATOM 420 O GLN A 90 3.280 4.141 -8.099 1.00 0.00 O ATOM 421 CB GLN A 90 0.061 5.176 -7.979 1.00 0.00 C ATOM 422 CG GLN A 90 0.153 4.681 -9.416 1.00 0.00 C ATOM 423 CD GLN A 90 0.953 5.607 -10.319 1.00 0.00 C ATOM 424 OE1 GLN A 90 1.793 5.154 -11.097 1.00 0.00 O ATOM 425 NE2 GLN A 90 0.673 6.904 -10.249 1.00 0.00 N ATOM 0 H GLN A 90 0.272 5.863 -5.623 1.00 0.00 H new ATOM 0 HA GLN A 90 1.062 3.547 -7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.909 4.895 -7.569 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.105 6.265 -7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.611 3.692 -9.424 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.853 4.570 -9.820 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.030 7.239 -9.590 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.161 7.565 -10.854 1.00 0.00 H new ATOM 434 N LYS A 91 2.812 6.284 -7.584 1.00 0.00 N ATOM 435 CA LYS A 91 4.069 6.828 -8.049 1.00 0.00 C ATOM 436 C LYS A 91 5.230 6.179 -7.295 1.00 0.00 C ATOM 437 O LYS A 91 6.237 5.786 -7.887 1.00 0.00 O ATOM 438 CB LYS A 91 4.034 8.342 -7.824 1.00 0.00 C ATOM 439 CG LYS A 91 3.563 9.138 -9.035 1.00 0.00 C ATOM 440 CD LYS A 91 4.543 9.064 -10.198 1.00 0.00 C ATOM 441 CE LYS A 91 3.928 8.377 -11.410 1.00 0.00 C ATOM 442 NZ LYS A 91 2.699 9.069 -11.892 1.00 0.00 N ATOM 0 H LYS A 91 2.172 6.986 -7.212 1.00 0.00 H new ATOM 0 HA LYS A 91 4.215 6.620 -9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.377 8.559 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.032 8.681 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.592 8.762 -9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.422 10.180 -8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.859 10.070 -10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.436 8.522 -9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.662 8.342 -12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.685 7.346 -11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.072 8.381 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.204 9.500 -11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.962 9.810 -12.572 1.00 0.00 H new ATOM 456 N SER A 92 5.062 6.053 -5.980 1.00 0.00 N ATOM 457 CA SER A 92 6.074 5.442 -5.126 1.00 0.00 C ATOM 458 C SER A 92 6.357 4.011 -5.575 1.00 0.00 C ATOM 459 O SER A 92 7.504 3.562 -5.572 1.00 0.00 O ATOM 460 CB SER A 92 5.611 5.454 -3.668 1.00 0.00 C ATOM 461 OG SER A 92 6.561 4.830 -2.823 1.00 0.00 O ATOM 0 H SER A 92 4.229 6.368 -5.482 1.00 0.00 H new ATOM 0 HA SER A 92 6.994 6.021 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.451 6.482 -3.343 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.653 4.941 -3.584 1.00 0.00 H new ATOM 0 HG SER A 92 6.638 5.336 -1.987 1.00 0.00 H new ATOM 467 N ILE A 93 5.302 3.295 -5.956 1.00 0.00 N ATOM 468 CA ILE A 93 5.438 1.922 -6.423 1.00 0.00 C ATOM 469 C ILE A 93 6.055 1.900 -7.818 1.00 0.00 C ATOM 470 O ILE A 93 6.846 1.017 -8.149 1.00 0.00 O ATOM 471 CB ILE A 93 4.073 1.196 -6.460 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.456 1.141 -5.062 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.229 -0.212 -7.021 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.967 0.861 -5.072 1.00 0.00 C ATOM 0 H ILE A 93 4.344 3.645 -5.950 1.00 0.00 H new ATOM 0 HA ILE A 93 6.088 1.400 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 93 3.406 1.759 -7.114 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.960 0.368 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.636 2.089 -4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.258 -0.706 -7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.627 -0.158 -8.034 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.914 -0.781 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.595 0.836 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.453 1.647 -5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.781 -0.101 -5.550 1.00 0.00 H new ATOM 486 N SER A 94 5.684 2.887 -8.631 1.00 0.00 N ATOM 487 CA SER A 94 6.192 2.997 -9.993 1.00 0.00 C ATOM 488 C SER A 94 7.715 3.074 -10.003 1.00 0.00 C ATOM 489 O SER A 94 8.371 2.438 -10.827 1.00 0.00 O ATOM 490 CB SER A 94 5.601 4.228 -10.679 1.00 0.00 C ATOM 491 OG SER A 94 6.154 4.406 -11.972 1.00 0.00 O ATOM 0 H SER A 94 5.030 3.624 -8.367 1.00 0.00 H new ATOM 0 HA SER A 94 5.891 2.104 -10.541 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.519 4.122 -10.754 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.793 5.113 -10.073 1.00 0.00 H new ATOM 0 HG SER A 94 5.759 5.199 -12.391 1.00 0.00 H new ATOM 497 N GLN A 95 8.270 3.865 -9.091 1.00 0.00 N ATOM 498 CA GLN A 95 9.718 4.013 -8.996 1.00 0.00 C ATOM 499 C GLN A 95 10.367 2.657 -8.746 1.00 0.00 C ATOM 500 O GLN A 95 11.376 2.314 -9.362 1.00 0.00 O ATOM 501 CB GLN A 95 10.080 4.985 -7.874 1.00 0.00 C ATOM 502 CG GLN A 95 11.076 6.058 -8.287 1.00 0.00 C ATOM 503 CD GLN A 95 10.563 6.934 -9.414 1.00 0.00 C ATOM 504 OE1 GLN A 95 9.356 7.044 -9.629 1.00 0.00 O ATOM 505 NE2 GLN A 95 11.479 7.576 -10.129 1.00 0.00 N ATOM 0 H GLN A 95 7.742 4.411 -8.410 1.00 0.00 H new ATOM 0 HA GLN A 95 10.091 4.415 -9.938 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.170 5.466 -7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.493 4.422 -7.038 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.309 6.683 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.007 5.583 -8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.469 7.455 -9.916 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.193 8.190 -10.892 1.00 0.00 H new ATOM 514 N LYS A 96 9.778 1.890 -7.834 1.00 0.00 N ATOM 515 CA LYS A 96 10.283 0.562 -7.512 1.00 0.00 C ATOM 516 C LYS A 96 10.034 -0.388 -8.673 1.00 0.00 C ATOM 517 O LYS A 96 10.838 -1.279 -8.947 1.00 0.00 O ATOM 518 CB LYS A 96 9.595 0.011 -6.262 1.00 0.00 C ATOM 519 CG LYS A 96 9.735 0.896 -5.039 1.00 0.00 C ATOM 520 CD LYS A 96 9.054 0.277 -3.831 1.00 0.00 C ATOM 521 CE LYS A 96 9.298 1.103 -2.582 1.00 0.00 C ATOM 522 NZ LYS A 96 9.135 2.558 -2.844 1.00 0.00 N ATOM 0 H LYS A 96 8.951 2.166 -7.305 1.00 0.00 H new ATOM 0 HA LYS A 96 11.354 0.644 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.536 -0.131 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.009 -0.972 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.791 1.056 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.300 1.874 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.982 0.198 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.427 -0.736 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.604 0.794 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.304 0.911 -2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.921 3.049 -1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.015 2.939 -3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.355 2.704 -3.516 1.00 0.00 H new ATOM 536 N LYS A 97 8.910 -0.184 -9.355 1.00 0.00 N ATOM 537 CA LYS A 97 8.532 -1.034 -10.473 1.00 0.00 C ATOM 538 C LYS A 97 8.399 -2.474 -9.990 1.00 0.00 C ATOM 539 O LYS A 97 9.063 -3.378 -10.496 1.00 0.00 O ATOM 540 CB LYS A 97 9.567 -0.941 -11.596 1.00 0.00 C ATOM 541 CG LYS A 97 9.125 -1.597 -12.895 1.00 0.00 C ATOM 542 CD LYS A 97 8.190 -0.700 -13.693 1.00 0.00 C ATOM 543 CE LYS A 97 7.846 -1.316 -15.041 1.00 0.00 C ATOM 544 NZ LYS A 97 6.912 -0.462 -15.824 1.00 0.00 N ATOM 0 H LYS A 97 8.247 0.564 -9.150 1.00 0.00 H new ATOM 0 HA LYS A 97 7.574 -0.696 -10.869 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.788 0.109 -11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.494 -1.407 -11.262 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.001 -1.836 -13.498 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.624 -2.539 -12.674 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.275 -0.529 -13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.658 0.273 -13.845 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.761 -1.471 -15.613 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.397 -2.297 -14.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.704 -0.919 -16.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.028 -0.335 -15.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.350 0.466 -15.994 1.00 0.00 H new ATOM 558 N VAL A 98 7.541 -2.667 -8.992 1.00 0.00 N ATOM 559 CA VAL A 98 7.316 -3.983 -8.410 1.00 0.00 C ATOM 560 C VAL A 98 5.978 -4.569 -8.848 1.00 0.00 C ATOM 561 O VAL A 98 5.188 -3.905 -9.519 1.00 0.00 O ATOM 562 CB VAL A 98 7.357 -3.918 -6.872 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.750 -3.543 -6.391 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.324 -2.928 -6.354 1.00 0.00 C ATOM 0 H VAL A 98 6.988 -1.922 -8.569 1.00 0.00 H new ATOM 0 HA VAL A 98 8.117 -4.629 -8.769 1.00 0.00 H new ATOM 0 HB VAL A 98 7.114 -4.905 -6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.760 -3.502 -5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.466 -4.290 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.024 -2.568 -6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.366 -2.894 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.536 -1.937 -6.756 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.329 -3.242 -6.669 1.00 0.00 H new ATOM 574 N LYS A 99 5.728 -5.818 -8.460 1.00 0.00 N ATOM 575 CA LYS A 99 4.487 -6.495 -8.819 1.00 0.00 C ATOM 576 C LYS A 99 3.383 -6.203 -7.809 1.00 0.00 C ATOM 577 O LYS A 99 2.883 -7.109 -7.141 1.00 0.00 O ATOM 578 CB LYS A 99 4.704 -8.005 -8.920 1.00 0.00 C ATOM 579 CG LYS A 99 5.801 -8.402 -9.894 1.00 0.00 C ATOM 580 CD LYS A 99 5.480 -9.724 -10.572 1.00 0.00 C ATOM 581 CE LYS A 99 5.238 -9.545 -12.063 1.00 0.00 C ATOM 582 NZ LYS A 99 4.360 -8.376 -12.353 1.00 0.00 N ATOM 0 H LYS A 99 6.368 -6.379 -7.898 1.00 0.00 H new ATOM 0 HA LYS A 99 4.177 -6.112 -9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.949 -8.394 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.771 -8.477 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.922 -7.624 -10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.750 -8.483 -9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.303 -10.422 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.597 -10.165 -10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.193 -9.415 -12.572 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.782 -10.449 -12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.794 -8.570 -13.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.726 -8.209 -11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.947 -7.532 -12.513 1.00 0.00 H new ATOM 596 N ILE A 100 3.008 -4.936 -7.701 1.00 0.00 N ATOM 597 CA ILE A 100 1.954 -4.527 -6.784 1.00 0.00 C ATOM 598 C ILE A 100 1.030 -3.520 -7.457 1.00 0.00 C ATOM 599 O ILE A 100 1.448 -2.418 -7.810 1.00 0.00 O ATOM 600 CB ILE A 100 2.529 -3.910 -5.492 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.427 -4.922 -4.777 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.404 -3.452 -4.571 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.121 -4.358 -3.557 1.00 0.00 C ATOM 0 H ILE A 100 3.419 -4.173 -8.238 1.00 0.00 H new ATOM 0 HA ILE A 100 1.392 -5.421 -6.515 1.00 0.00 H new ATOM 0 HB ILE A 100 3.128 -3.040 -5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.826 -5.781 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.179 -5.286 -5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.829 -3.020 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.798 -2.703 -5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.779 -4.305 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.740 -5.130 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.749 -3.517 -3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.375 -4.020 -2.838 1.00 0.00 H new ATOM 615 N GLU A 101 -0.223 -3.911 -7.643 1.00 0.00 N ATOM 616 CA GLU A 101 -1.201 -3.042 -8.277 1.00 0.00 C ATOM 617 C GLU A 101 -2.530 -3.099 -7.541 1.00 0.00 C ATOM 618 O GLU A 101 -2.785 -4.017 -6.762 1.00 0.00 O ATOM 619 CB GLU A 101 -1.402 -3.440 -9.742 1.00 0.00 C ATOM 620 CG GLU A 101 -1.946 -4.848 -9.921 1.00 0.00 C ATOM 621 CD GLU A 101 -0.946 -5.792 -10.564 1.00 0.00 C ATOM 622 OE1 GLU A 101 0.194 -5.360 -10.835 1.00 0.00 O ATOM 623 OE2 GLU A 101 -1.304 -6.966 -10.795 1.00 0.00 O ATOM 0 H GLU A 101 -0.585 -4.823 -7.364 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.821 -2.021 -8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.086 -2.733 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.450 -3.358 -10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.239 -5.245 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.846 -4.809 -10.534 1.00 0.00 H new ATOM 630 N LEU A 102 -3.377 -2.113 -7.795 1.00 0.00 N ATOM 631 CA LEU A 102 -4.679 -2.050 -7.155 1.00 0.00 C ATOM 632 C LEU A 102 -5.686 -2.954 -7.850 1.00 0.00 C ATOM 633 O LEU A 102 -5.694 -3.080 -9.073 1.00 0.00 O ATOM 634 CB LEU A 102 -5.213 -0.617 -7.152 1.00 0.00 C ATOM 635 CG LEU A 102 -6.686 -0.493 -6.749 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.866 -0.705 -5.259 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.247 0.839 -7.153 1.00 0.00 C ATOM 0 H LEU A 102 -3.185 -1.346 -8.440 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.548 -2.393 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.610 -0.019 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.084 -0.192 -8.147 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.235 -1.273 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.921 -0.611 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.514 -1.700 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.292 0.044 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.294 0.899 -6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.684 1.634 -6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.171 0.953 -8.234 1.00 0.00 H new ATOM 649 N ASP A 103 -6.547 -3.560 -7.048 1.00 0.00 N ATOM 650 CA ASP A 103 -7.604 -4.408 -7.565 1.00 0.00 C ATOM 651 C ASP A 103 -8.864 -3.566 -7.672 1.00 0.00 C ATOM 652 O ASP A 103 -9.148 -2.759 -6.787 1.00 0.00 O ATOM 653 CB ASP A 103 -7.852 -5.600 -6.645 1.00 0.00 C ATOM 654 CG ASP A 103 -8.768 -6.636 -7.275 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.366 -6.336 -8.331 1.00 0.00 O ATOM 656 OD2 ASP A 103 -8.884 -7.748 -6.716 1.00 0.00 O ATOM 0 H ASP A 103 -6.532 -3.478 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.315 -4.800 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.899 -6.066 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.292 -5.250 -5.711 1.00 0.00 H new ATOM 661 N LYS A 104 -9.612 -3.738 -8.747 1.00 0.00 N ATOM 662 CA LYS A 104 -10.823 -2.955 -8.948 1.00 0.00 C ATOM 663 C LYS A 104 -12.054 -3.623 -8.333 1.00 0.00 C ATOM 664 O LYS A 104 -13.146 -3.056 -8.355 1.00 0.00 O ATOM 665 CB LYS A 104 -11.039 -2.724 -10.441 1.00 0.00 C ATOM 666 CG LYS A 104 -9.839 -2.096 -11.132 1.00 0.00 C ATOM 667 CD LYS A 104 -10.057 -0.617 -11.399 1.00 0.00 C ATOM 668 CE LYS A 104 -11.306 -0.388 -12.234 1.00 0.00 C ATOM 669 NZ LYS A 104 -11.444 -1.407 -13.311 1.00 0.00 N ATOM 0 H LYS A 104 -9.407 -4.406 -9.490 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.690 -2.000 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.268 -3.676 -10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.908 -2.080 -10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.952 -2.227 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.650 -2.612 -12.073 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.146 -0.083 -10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.190 -0.206 -11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.185 -0.418 -11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.270 0.607 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.055 -1.034 -14.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.506 -1.628 -13.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.867 -2.272 -12.918 1.00 0.00 H new ATOM 683 N SER A 105 -11.880 -4.820 -7.775 1.00 0.00 N ATOM 684 CA SER A 105 -12.993 -5.540 -7.167 1.00 0.00 C ATOM 685 C SER A 105 -13.346 -4.960 -5.800 1.00 0.00 C ATOM 686 O SER A 105 -14.514 -4.922 -5.414 1.00 0.00 O ATOM 687 CB SER A 105 -12.652 -7.024 -7.023 1.00 0.00 C ATOM 688 OG SER A 105 -11.683 -7.229 -6.009 1.00 0.00 O ATOM 0 H SER A 105 -10.985 -5.307 -7.732 1.00 0.00 H new ATOM 0 HA SER A 105 -13.857 -5.429 -7.823 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.555 -7.587 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.277 -7.408 -7.972 1.00 0.00 H new ATOM 0 HG SER A 105 -11.483 -8.186 -5.936 1.00 0.00 H new ATOM 694 N ALA A 106 -12.328 -4.507 -5.072 1.00 0.00 N ATOM 695 CA ALA A 106 -12.527 -3.942 -3.740 1.00 0.00 C ATOM 696 C ALA A 106 -13.657 -2.919 -3.720 1.00 0.00 C ATOM 697 O ALA A 106 -13.925 -2.249 -4.718 1.00 0.00 O ATOM 698 CB ALA A 106 -11.239 -3.312 -3.235 1.00 0.00 C ATOM 0 H ALA A 106 -11.356 -4.520 -5.382 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.810 -4.759 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.403 -2.895 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.458 -4.071 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.931 -2.518 -3.915 1.00 0.00 H new ATOM 704 N ARG A 107 -14.313 -2.805 -2.569 1.00 0.00 N ATOM 705 CA ARG A 107 -15.413 -1.865 -2.396 1.00 0.00 C ATOM 706 C ARG A 107 -14.914 -0.533 -1.845 1.00 0.00 C ATOM 707 O ARG A 107 -15.556 0.502 -2.019 1.00 0.00 O ATOM 708 CB ARG A 107 -16.461 -2.447 -1.446 1.00 0.00 C ATOM 709 CG ARG A 107 -17.203 -3.645 -2.012 1.00 0.00 C ATOM 710 CD ARG A 107 -17.047 -4.868 -1.123 1.00 0.00 C ATOM 711 NE ARG A 107 -17.977 -5.930 -1.491 1.00 0.00 N ATOM 712 CZ ARG A 107 -18.376 -6.885 -0.657 1.00 0.00 C ATOM 713 NH1 ARG A 107 -17.902 -6.931 0.581 1.00 0.00 N ATOM 714 NH2 ARG A 107 -19.246 -7.799 -1.062 1.00 0.00 N ATOM 0 H ARG A 107 -14.099 -3.356 -1.738 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.862 -1.692 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.973 -2.740 -0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -17.183 -1.669 -1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -18.261 -3.403 -2.117 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.827 -3.869 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -16.025 -5.240 -1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.212 -4.585 -0.084 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.342 -5.940 -2.443 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.229 -6.232 0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.210 -7.665 1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -19.610 -7.770 -2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -19.552 -8.531 -0.421 1.00 0.00 H new ATOM 728 N HIS A 108 -13.764 -0.569 -1.181 1.00 0.00 N ATOM 729 CA HIS A 108 -13.183 0.630 -0.590 1.00 0.00 C ATOM 730 C HIS A 108 -11.717 0.781 -0.981 1.00 0.00 C ATOM 731 O HIS A 108 -11.211 0.052 -1.834 1.00 0.00 O ATOM 732 CB HIS A 108 -13.309 0.559 0.933 1.00 0.00 C ATOM 733 CG HIS A 108 -12.704 -0.679 1.519 1.00 0.00 C ATOM 734 ND1 HIS A 108 -11.354 -0.958 1.465 1.00 0.00 N ATOM 735 CD2 HIS A 108 -13.275 -1.721 2.169 1.00 0.00 C ATOM 736 CE1 HIS A 108 -11.122 -2.116 2.059 1.00 0.00 C ATOM 737 NE2 HIS A 108 -12.270 -2.598 2.494 1.00 0.00 N ATOM 0 H HIS A 108 -13.215 -1.417 -1.039 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.725 1.498 -0.966 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.828 1.433 1.372 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.363 0.605 1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -14.325 -1.840 2.390 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -10.157 -2.587 2.169 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -12.392 -3.480 2.992 1.00 0.00 H new ATOM 746 N LEU A 109 -11.045 1.743 -0.357 1.00 0.00 N ATOM 747 CA LEU A 109 -9.635 1.988 -0.619 1.00 0.00 C ATOM 748 C LEU A 109 -8.861 2.102 0.688 1.00 0.00 C ATOM 749 O LEU A 109 -8.711 3.190 1.243 1.00 0.00 O ATOM 750 CB LEU A 109 -9.454 3.260 -1.448 1.00 0.00 C ATOM 751 CG LEU A 109 -9.971 3.175 -2.886 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.006 4.556 -3.520 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.106 2.233 -3.709 1.00 0.00 C ATOM 0 H LEU A 109 -11.458 2.367 0.336 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.243 1.144 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.964 4.080 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.394 3.511 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.986 2.779 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.376 4.478 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.666 5.204 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.001 4.978 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.489 2.185 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.080 2.600 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.129 1.237 -3.266 1.00 0.00 H new ATOM 765 N TYR A 110 -8.389 0.965 1.184 1.00 0.00 N ATOM 766 CA TYR A 110 -7.623 0.924 2.423 1.00 0.00 C ATOM 767 C TYR A 110 -6.582 -0.184 2.367 1.00 0.00 C ATOM 768 O TYR A 110 -6.901 -1.335 2.072 1.00 0.00 O ATOM 769 CB TYR A 110 -8.544 0.709 3.626 1.00 0.00 C ATOM 770 CG TYR A 110 -9.265 1.960 4.075 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.625 2.905 4.869 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.583 2.194 3.710 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.281 4.048 5.285 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.246 3.335 4.122 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.591 4.258 4.909 1.00 0.00 C ATOM 776 OH TYR A 110 -11.248 5.395 5.322 1.00 0.00 O ATOM 0 H TYR A 110 -8.524 0.055 0.744 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.117 1.883 2.538 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.281 -0.054 3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.955 0.322 4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.599 2.743 5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.099 1.473 3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -8.770 4.773 5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.272 3.502 3.829 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.163 5.390 4.970 1.00 0.00 H new ATOM 786 N ILE A 111 -5.336 0.172 2.646 1.00 0.00 N ATOM 787 CA ILE A 111 -4.251 -0.796 2.628 1.00 0.00 C ATOM 788 C ILE A 111 -3.814 -1.146 4.042 1.00 0.00 C ATOM 789 O ILE A 111 -4.237 -0.514 5.010 1.00 0.00 O ATOM 790 CB ILE A 111 -3.036 -0.268 1.845 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.465 0.978 2.526 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.425 0.039 0.407 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.221 1.518 1.856 1.00 0.00 C ATOM 0 H ILE A 111 -5.053 1.122 2.887 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.630 -1.689 2.131 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.266 -1.039 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.228 1.757 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.234 0.741 3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.555 0.411 -0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.789 -0.869 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.210 0.795 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.873 2.401 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.442 0.756 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.451 1.787 0.825 1.00 0.00 H new ATOM 805 N CYS A 112 -2.966 -2.156 4.153 1.00 0.00 N ATOM 806 CA CYS A 112 -2.462 -2.589 5.445 1.00 0.00 C ATOM 807 C CYS A 112 -1.223 -1.788 5.831 1.00 0.00 C ATOM 808 O CYS A 112 -0.665 -1.059 5.012 1.00 0.00 O ATOM 809 CB CYS A 112 -2.138 -4.081 5.405 1.00 0.00 C ATOM 810 SG CYS A 112 -0.975 -4.546 4.103 1.00 0.00 S ATOM 0 H CYS A 112 -2.612 -2.692 3.361 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.231 -2.415 6.197 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.726 -4.379 6.369 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.064 -4.640 5.268 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.625 -4.770 3.000 1.00 0.00 H new ATOM 815 N ASP A 113 -0.804 -1.919 7.083 1.00 0.00 N ATOM 816 CA ASP A 113 0.374 -1.212 7.570 1.00 0.00 C ATOM 817 C ASP A 113 1.635 -1.776 6.926 1.00 0.00 C ATOM 818 O ASP A 113 2.623 -1.067 6.736 1.00 0.00 O ATOM 819 CB ASP A 113 0.476 -1.323 9.095 1.00 0.00 C ATOM 820 CG ASP A 113 -0.678 -0.643 9.806 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.072 0.461 9.378 1.00 0.00 O ATOM 822 OD2 ASP A 113 -1.187 -1.214 10.795 1.00 0.00 O ATOM 0 H ASP A 113 -1.262 -2.507 7.779 1.00 0.00 H new ATOM 0 HA ASP A 113 0.277 -0.161 7.300 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.504 -2.375 9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.415 -0.879 9.426 1.00 0.00 H new ATOM 827 N TYR A 114 1.582 -3.059 6.589 1.00 0.00 N ATOM 828 CA TYR A 114 2.709 -3.742 5.965 1.00 0.00 C ATOM 829 C TYR A 114 3.159 -3.027 4.694 1.00 0.00 C ATOM 830 O TYR A 114 4.291 -2.551 4.608 1.00 0.00 O ATOM 831 CB TYR A 114 2.317 -5.187 5.643 1.00 0.00 C ATOM 832 CG TYR A 114 3.366 -5.956 4.872 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.543 -6.371 5.484 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.175 -6.276 3.533 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.499 -7.082 4.783 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.127 -6.985 2.825 1.00 0.00 C ATOM 837 CZ TYR A 114 5.287 -7.386 3.455 1.00 0.00 C ATOM 838 OH TYR A 114 6.235 -8.096 2.754 1.00 0.00 O ATOM 0 H TYR A 114 0.765 -3.651 6.739 1.00 0.00 H new ATOM 0 HA TYR A 114 3.544 -3.734 6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.110 -5.712 6.576 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.391 -5.181 5.068 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.713 -6.134 6.524 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.267 -5.965 3.037 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.408 -7.398 5.273 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.964 -7.224 1.784 1.00 0.00 H new ATOM 0 HH TYR A 114 5.930 -8.227 1.832 1.00 0.00 H new ATOM 848 N HIS A 115 2.264 -2.944 3.716 1.00 0.00 N ATOM 849 CA HIS A 115 2.578 -2.296 2.448 1.00 0.00 C ATOM 850 C HIS A 115 2.868 -0.808 2.631 1.00 0.00 C ATOM 851 O HIS A 115 3.777 -0.268 2.001 1.00 0.00 O ATOM 852 CB HIS A 115 1.436 -2.497 1.448 1.00 0.00 C ATOM 853 CG HIS A 115 1.394 -3.876 0.861 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.246 -4.631 0.877 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.378 -4.581 0.249 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.552 -5.769 0.281 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.833 -5.785 -0.118 1.00 0.00 N ATOM 0 H HIS A 115 1.316 -3.317 3.777 1.00 0.00 H new ATOM 0 HA HIS A 115 3.481 -2.763 2.054 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.488 -2.293 1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.537 -1.770 0.642 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -0.658 -4.367 1.269 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.395 -4.257 0.083 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.141 -6.584 0.133 1.00 0.00 H new ATOM 865 N LYS A 116 2.102 -0.144 3.494 1.00 0.00 N ATOM 866 CA LYS A 116 2.302 1.282 3.737 1.00 0.00 C ATOM 867 C LYS A 116 3.756 1.570 4.084 1.00 0.00 C ATOM 868 O LYS A 116 4.404 2.410 3.458 1.00 0.00 O ATOM 869 CB LYS A 116 1.402 1.772 4.875 1.00 0.00 C ATOM 870 CG LYS A 116 1.487 3.275 5.101 1.00 0.00 C ATOM 871 CD LYS A 116 0.913 3.679 6.450 1.00 0.00 C ATOM 872 CE LYS A 116 1.843 3.298 7.592 1.00 0.00 C ATOM 873 NZ LYS A 116 3.209 3.861 7.409 1.00 0.00 N ATOM 0 H LYS A 116 1.345 -0.566 4.032 1.00 0.00 H new ATOM 0 HA LYS A 116 2.040 1.813 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.369 1.502 4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.677 1.256 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.528 3.593 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.948 3.793 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.740 4.755 6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.055 3.199 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.426 3.656 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.905 2.212 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.566 4.209 8.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.844 3.121 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.172 4.647 6.729 1.00 0.00 H new ATOM 887 N ASN A 117 4.264 0.860 5.085 1.00 0.00 N ATOM 888 CA ASN A 117 5.642 1.032 5.529 1.00 0.00 C ATOM 889 C ASN A 117 6.623 0.643 4.428 1.00 0.00 C ATOM 890 O ASN A 117 7.609 1.335 4.186 1.00 0.00 O ATOM 891 CB ASN A 117 5.892 0.190 6.783 1.00 0.00 C ATOM 892 CG ASN A 117 7.328 0.268 7.265 1.00 0.00 C ATOM 893 OD1 ASN A 117 8.141 -0.611 6.978 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.647 1.327 7.999 1.00 0.00 N ATOM 0 H ASN A 117 3.740 0.157 5.606 1.00 0.00 H new ATOM 0 HA ASN A 117 5.800 2.084 5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.227 0.525 7.579 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.639 -0.849 6.574 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.599 1.437 8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.941 2.031 8.212 1.00 0.00 H new ATOM 901 N LEU A 118 6.336 -0.464 3.758 1.00 0.00 N ATOM 902 CA LEU A 118 7.190 -0.964 2.688 1.00 0.00 C ATOM 903 C LEU A 118 7.348 0.061 1.564 1.00 0.00 C ATOM 904 O LEU A 118 8.447 0.274 1.054 1.00 0.00 O ATOM 905 CB LEU A 118 6.596 -2.261 2.128 1.00 0.00 C ATOM 906 CG LEU A 118 7.592 -3.213 1.460 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.929 -4.552 1.171 1.00 0.00 C ATOM 908 CD2 LEU A 118 8.143 -2.607 0.180 1.00 0.00 C ATOM 0 H LEU A 118 5.512 -1.037 3.938 1.00 0.00 H new ATOM 0 HA LEU A 118 8.179 -1.154 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.102 -2.793 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.826 -2.002 1.402 1.00 0.00 H new ATOM 0 HG LEU A 118 8.424 -3.375 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.648 -5.219 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.584 -4.996 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.079 -4.401 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.848 -3.301 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.324 -2.413 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.652 -1.671 0.410 1.00 0.00 H new ATOM 920 N ILE A 119 6.248 0.708 1.196 1.00 0.00 N ATOM 921 CA ILE A 119 6.254 1.682 0.106 1.00 0.00 C ATOM 922 C ILE A 119 6.722 3.073 0.541 1.00 0.00 C ATOM 923 O ILE A 119 7.573 3.679 -0.109 1.00 0.00 O ATOM 924 CB ILE A 119 4.847 1.799 -0.517 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.373 0.427 -0.999 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.844 2.801 -1.663 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.980 0.439 -1.589 1.00 0.00 C ATOM 0 H ILE A 119 5.337 0.577 1.637 1.00 0.00 H new ATOM 0 HA ILE A 119 6.969 1.309 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 119 4.158 2.160 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.072 0.053 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.398 -0.271 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.842 2.866 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.145 3.780 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.543 2.475 -2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.712 -0.568 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.269 0.782 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.954 1.111 -2.447 1.00 0.00 H new ATOM 939 N GLN A 120 6.165 3.571 1.635 1.00 0.00 N ATOM 940 CA GLN A 120 6.498 4.907 2.126 1.00 0.00 C ATOM 941 C GLN A 120 7.935 5.027 2.642 1.00 0.00 C ATOM 942 O GLN A 120 8.559 6.078 2.496 1.00 0.00 O ATOM 943 CB GLN A 120 5.541 5.302 3.256 1.00 0.00 C ATOM 944 CG GLN A 120 4.107 5.521 2.819 1.00 0.00 C ATOM 945 CD GLN A 120 3.783 6.982 2.561 1.00 0.00 C ATOM 946 OE1 GLN A 120 2.677 7.442 2.845 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.743 7.719 2.013 1.00 0.00 N ATOM 0 H GLN A 120 5.480 3.072 2.202 1.00 0.00 H new ATOM 0 HA GLN A 120 6.398 5.576 1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.560 4.524 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.908 6.216 3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.917 4.947 1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.436 5.136 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.646 7.299 1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.577 8.705 1.812 1.00 0.00 H new ATOM 956 N SER A 121 8.462 3.959 3.235 1.00 0.00 N ATOM 957 CA SER A 121 9.788 4.001 3.828 1.00 0.00 C ATOM 958 C SER A 121 10.915 3.465 2.939 1.00 0.00 C ATOM 959 O SER A 121 11.855 2.850 3.443 1.00 0.00 O ATOM 960 CB SER A 121 9.749 3.221 5.130 1.00 0.00 C ATOM 961 OG SER A 121 8.828 3.798 6.040 1.00 0.00 O ATOM 0 H SER A 121 7.990 3.058 3.316 1.00 0.00 H new ATOM 0 HA SER A 121 10.027 5.053 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.469 2.187 4.930 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.743 3.202 5.576 1.00 0.00 H new ATOM 0 HG SER A 121 7.960 3.350 5.955 1.00 0.00 H new