USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 935 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -85:sc= 1.13 USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= -0.0322 (180deg=-0.249) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.16) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.087 USER MOD Single : A 33 THR OG1 : rot -159:sc= -1.38 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -114:sc= 2.1 USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0913) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= -0.112 (180deg=-0.546) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.096) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.187 USER MOD Single : A 57 ASN : amide:sc= 0.58 K(o=0.58,f=-7!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.467 K(o=-0.47,f=-0.99) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 162:sc= -1.45 (180deg=-3.07!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 144:sc= -1.21 (180deg=-3.61!) USER MOD Single : A 82 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.011) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 120:sc=-0.00977 USER MOD Single : A 91 ASN : amide:sc=-0.00131 K(o=-0.0013,f=-6.2!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 106:sc= 0.0766 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -139:sc= -0.289 (180deg=-1.99!) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 12.164 1.230 8.655 1.00 0.00 N ATOM 51 CA GLY A 5 11.345 1.201 7.464 1.00 0.00 C ATOM 52 C GLY A 5 10.007 1.888 7.649 1.00 0.00 C ATOM 53 O GLY A 5 9.897 2.881 8.375 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.884 1.681 6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.178 0.165 7.170 1.00 0.00 H new ATOM 57 N ILE A 6 8.992 1.357 6.989 1.00 0.00 N ATOM 58 CA ILE A 6 7.660 1.940 7.018 1.00 0.00 C ATOM 59 C ILE A 6 6.836 1.336 8.153 1.00 0.00 C ATOM 60 O ILE A 6 6.853 0.123 8.367 1.00 0.00 O ATOM 61 CB ILE A 6 6.937 1.728 5.669 1.00 0.00 C ATOM 62 CG1 ILE A 6 7.756 2.342 4.526 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.543 2.334 5.707 1.00 0.00 C ATOM 64 CD1 ILE A 6 7.135 2.158 3.155 1.00 0.00 C ATOM 0 H ILE A 6 9.066 0.514 6.420 1.00 0.00 H new ATOM 0 HA ILE A 6 7.765 3.011 7.190 1.00 0.00 H new ATOM 0 HB ILE A 6 6.840 0.657 5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.884 3.408 4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.751 1.897 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.051 2.174 4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.961 1.859 6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.616 3.404 5.903 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.773 2.619 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.033 1.094 2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.152 2.628 3.135 1.00 0.00 H new ATOM 76 N ALA A 7 6.128 2.187 8.885 1.00 0.00 N ATOM 77 CA ALA A 7 5.336 1.739 10.022 1.00 0.00 C ATOM 78 C ALA A 7 3.882 1.508 9.623 1.00 0.00 C ATOM 79 O ALA A 7 3.136 2.454 9.367 1.00 0.00 O ATOM 80 CB ALA A 7 5.422 2.749 11.155 1.00 0.00 C ATOM 0 H ALA A 7 6.086 3.191 8.711 1.00 0.00 H new ATOM 0 HA ALA A 7 5.745 0.789 10.366 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.825 2.401 11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.461 2.859 11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.042 3.712 10.814 1.00 0.00 H new ATOM 86 N PHE A 8 3.486 0.243 9.569 1.00 0.00 N ATOM 87 CA PHE A 8 2.129 -0.122 9.197 1.00 0.00 C ATOM 88 C PHE A 8 1.245 -0.271 10.427 1.00 0.00 C ATOM 89 O PHE A 8 1.731 -0.571 11.523 1.00 0.00 O ATOM 90 CB PHE A 8 2.136 -1.427 8.406 1.00 0.00 C ATOM 91 CG PHE A 8 2.715 -1.288 7.029 1.00 0.00 C ATOM 92 CD1 PHE A 8 1.903 -0.956 5.957 1.00 0.00 C ATOM 93 CD2 PHE A 8 4.068 -1.487 6.807 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.432 -0.823 4.688 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.600 -1.356 5.541 1.00 0.00 C ATOM 96 CZ PHE A 8 3.780 -1.024 4.480 1.00 0.00 C ATOM 0 H PHE A 8 4.091 -0.551 9.780 1.00 0.00 H new ATOM 0 HA PHE A 8 1.723 0.676 8.576 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.706 -2.174 8.958 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.115 -1.800 8.326 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.846 -0.800 6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.713 -1.747 7.633 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.790 -0.562 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.656 -1.513 5.380 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.195 -0.922 3.488 1.00 0.00 H new ATOM 106 N ARG A 9 -0.049 -0.048 10.250 1.00 0.00 N ATOM 107 CA ARG A 9 -1.005 -0.206 11.336 1.00 0.00 C ATOM 108 C ARG A 9 -2.025 -1.299 11.019 1.00 0.00 C ATOM 109 O ARG A 9 -2.303 -1.593 9.844 1.00 0.00 O ATOM 110 CB ARG A 9 -1.705 1.125 11.641 1.00 0.00 C ATOM 111 CG ARG A 9 -0.767 2.166 12.231 1.00 0.00 C ATOM 112 CD ARG A 9 -1.523 3.324 12.860 1.00 0.00 C ATOM 113 NE ARG A 9 -1.843 4.396 11.913 1.00 0.00 N ATOM 114 CZ ARG A 9 -2.812 5.296 12.124 1.00 0.00 C ATOM 115 NH1 ARG A 9 -3.660 5.126 13.133 1.00 0.00 N ATOM 116 NH2 ARG A 9 -2.943 6.348 11.321 1.00 0.00 N ATOM 0 H ARG A 9 -0.461 0.243 9.364 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.455 -0.513 12.225 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.144 1.517 10.724 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.525 0.947 12.336 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.132 1.697 12.983 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.109 2.545 11.449 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.448 2.949 13.298 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.928 3.736 13.675 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.301 4.460 11.051 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.571 4.313 13.742 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.400 5.809 13.298 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.303 6.474 10.537 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.684 7.029 11.489 1.00 0.00 H new ATOM 130 N GLU A 10 -2.552 -1.912 12.076 1.00 0.00 N ATOM 131 CA GLU A 10 -3.534 -2.983 11.954 1.00 0.00 C ATOM 132 C GLU A 10 -4.945 -2.444 12.154 1.00 0.00 C ATOM 133 O GLU A 10 -5.413 -2.311 13.284 1.00 0.00 O ATOM 134 CB GLU A 10 -3.258 -4.081 12.984 1.00 0.00 C ATOM 135 CG GLU A 10 -2.037 -4.928 12.674 1.00 0.00 C ATOM 136 CD GLU A 10 -2.250 -5.818 11.471 1.00 0.00 C ATOM 137 OE1 GLU A 10 -2.118 -5.327 10.330 1.00 0.00 O ATOM 138 OE2 GLU A 10 -2.571 -7.010 11.656 1.00 0.00 O ATOM 0 H GLU A 10 -2.310 -1.680 13.039 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.452 -3.402 10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.129 -3.621 13.964 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.131 -4.731 13.049 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.181 -4.277 12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.794 -5.543 13.540 1.00 0.00 H new ATOM 145 N LEU A 11 -5.605 -2.117 11.056 1.00 0.00 N ATOM 146 CA LEU A 11 -6.957 -1.604 11.080 1.00 0.00 C ATOM 147 C LEU A 11 -7.753 -2.213 9.932 1.00 0.00 C ATOM 148 O LEU A 11 -7.173 -2.791 9.012 1.00 0.00 O ATOM 149 CB LEU A 11 -6.935 -0.083 10.931 1.00 0.00 C ATOM 150 CG LEU A 11 -6.353 0.698 12.112 1.00 0.00 C ATOM 151 CD1 LEU A 11 -6.255 2.175 11.769 1.00 0.00 C ATOM 152 CD2 LEU A 11 -7.203 0.497 13.356 1.00 0.00 C ATOM 0 H LEU A 11 -5.212 -2.202 10.119 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.424 -1.867 12.029 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.362 0.167 10.038 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.955 0.261 10.761 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.351 0.321 12.317 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.840 2.719 12.617 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.607 2.305 10.902 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.248 2.562 11.541 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.774 1.060 14.185 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.217 0.849 13.165 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.229 -0.562 13.612 1.00 0.00 H new ATOM 164 N SER A 12 -9.069 -2.105 9.990 1.00 0.00 N ATOM 165 CA SER A 12 -9.902 -2.504 8.866 1.00 0.00 C ATOM 166 C SER A 12 -10.101 -1.319 7.925 1.00 0.00 C ATOM 167 O SER A 12 -9.679 -0.200 8.228 1.00 0.00 O ATOM 168 CB SER A 12 -11.253 -3.036 9.353 1.00 0.00 C ATOM 169 OG SER A 12 -11.883 -2.124 10.240 1.00 0.00 O ATOM 0 H SER A 12 -9.582 -1.747 10.796 1.00 0.00 H new ATOM 0 HA SER A 12 -9.400 -3.306 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.902 -3.220 8.497 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.109 -3.993 9.855 1.00 0.00 H new ATOM 0 HG SER A 12 -11.553 -2.272 11.151 1.00 0.00 H new ATOM 175 N PHE A 13 -10.747 -1.561 6.793 1.00 0.00 N ATOM 176 CA PHE A 13 -10.979 -0.515 5.802 1.00 0.00 C ATOM 177 C PHE A 13 -11.798 0.646 6.397 1.00 0.00 C ATOM 178 O PHE A 13 -11.380 1.800 6.302 1.00 0.00 O ATOM 179 CB PHE A 13 -11.669 -1.089 4.558 1.00 0.00 C ATOM 180 CG PHE A 13 -11.806 -0.100 3.436 1.00 0.00 C ATOM 181 CD1 PHE A 13 -10.740 0.153 2.588 1.00 0.00 C ATOM 182 CD2 PHE A 13 -12.999 0.575 3.227 1.00 0.00 C ATOM 183 CE1 PHE A 13 -10.859 1.060 1.554 1.00 0.00 C ATOM 184 CE2 PHE A 13 -13.124 1.485 2.194 1.00 0.00 C ATOM 185 CZ PHE A 13 -12.054 1.728 1.357 1.00 0.00 C ATOM 0 H PHE A 13 -11.121 -2.474 6.536 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.009 -0.118 5.502 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.103 -1.951 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -12.659 -1.450 4.836 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.805 -0.366 2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -13.840 0.388 3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.020 1.248 0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.058 2.005 2.042 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.150 2.439 0.549 1.00 0.00 H new ATOM 195 N PRO A 14 -12.973 0.372 7.023 1.00 0.00 N ATOM 196 CA PRO A 14 -13.780 1.414 7.673 1.00 0.00 C ATOM 197 C PRO A 14 -13.002 2.166 8.749 1.00 0.00 C ATOM 198 O PRO A 14 -13.181 3.372 8.926 1.00 0.00 O ATOM 199 CB PRO A 14 -14.950 0.646 8.302 1.00 0.00 C ATOM 200 CG PRO A 14 -14.516 -0.777 8.323 1.00 0.00 C ATOM 201 CD PRO A 14 -13.618 -0.948 7.136 1.00 0.00 C ATOM 0 HA PRO A 14 -14.095 2.175 6.959 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.163 1.008 9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.862 0.771 7.719 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.990 -1.012 9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.373 -1.448 8.265 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.889 -1.743 7.292 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.180 -1.202 6.237 1.00 0.00 H new ATOM 209 N GLU A 15 -12.135 1.455 9.460 1.00 0.00 N ATOM 210 CA GLU A 15 -11.303 2.064 10.488 1.00 0.00 C ATOM 211 C GLU A 15 -10.310 3.037 9.881 1.00 0.00 C ATOM 212 O GLU A 15 -10.082 4.127 10.414 1.00 0.00 O ATOM 213 CB GLU A 15 -10.546 0.996 11.267 1.00 0.00 C ATOM 214 CG GLU A 15 -11.409 0.232 12.254 1.00 0.00 C ATOM 215 CD GLU A 15 -10.638 -0.845 12.987 1.00 0.00 C ATOM 216 OE1 GLU A 15 -10.383 -1.913 12.388 1.00 0.00 O ATOM 217 OE2 GLU A 15 -10.294 -0.634 14.166 1.00 0.00 O ATOM 0 H GLU A 15 -11.990 0.452 9.342 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.963 2.608 11.164 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.104 0.291 10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.724 1.467 11.806 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.831 0.929 12.978 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.246 -0.222 11.724 1.00 0.00 H new ATOM 224 N ALA A 16 -9.712 2.640 8.772 1.00 0.00 N ATOM 225 CA ALA A 16 -8.742 3.481 8.101 1.00 0.00 C ATOM 226 C ALA A 16 -9.427 4.674 7.449 1.00 0.00 C ATOM 227 O ALA A 16 -8.877 5.771 7.415 1.00 0.00 O ATOM 228 CB ALA A 16 -7.963 2.686 7.070 1.00 0.00 C ATOM 0 H ALA A 16 -9.882 1.742 8.319 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.040 3.853 8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.240 3.337 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.438 1.868 7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.650 2.281 6.327 1.00 0.00 H new ATOM 234 N LEU A 17 -10.637 4.451 6.945 1.00 0.00 N ATOM 235 CA LEU A 17 -11.429 5.516 6.337 1.00 0.00 C ATOM 236 C LEU A 17 -11.843 6.526 7.401 1.00 0.00 C ATOM 237 O LEU A 17 -11.909 7.730 7.151 1.00 0.00 O ATOM 238 CB LEU A 17 -12.668 4.924 5.665 1.00 0.00 C ATOM 239 CG LEU A 17 -13.319 5.812 4.602 1.00 0.00 C ATOM 240 CD1 LEU A 17 -12.327 6.130 3.490 1.00 0.00 C ATOM 241 CD2 LEU A 17 -14.557 5.136 4.033 1.00 0.00 C ATOM 0 H LEU A 17 -11.092 3.538 6.946 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.827 6.023 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.394 3.975 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.408 4.703 6.434 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.620 6.748 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.808 6.762 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.467 6.652 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.996 5.203 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -15.009 5.780 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.276 4.186 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -15.274 4.957 4.834 1.00 0.00 H new ATOM 253 N LYS A 18 -12.131 6.007 8.586 1.00 0.00 N ATOM 254 CA LYS A 18 -12.389 6.826 9.764 1.00 0.00 C ATOM 255 C LYS A 18 -11.203 7.758 10.015 1.00 0.00 C ATOM 256 O LYS A 18 -11.355 8.978 10.139 1.00 0.00 O ATOM 257 CB LYS A 18 -12.605 5.910 10.974 1.00 0.00 C ATOM 258 CG LYS A 18 -13.151 6.600 12.212 1.00 0.00 C ATOM 259 CD LYS A 18 -14.605 7.004 12.024 1.00 0.00 C ATOM 260 CE LYS A 18 -14.738 8.418 11.491 1.00 0.00 C ATOM 261 NZ LYS A 18 -14.348 9.425 12.510 1.00 0.00 N ATOM 0 H LYS A 18 -12.193 5.004 8.759 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.282 7.431 9.604 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.291 5.112 10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.656 5.439 11.228 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.065 5.934 13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.552 7.483 12.433 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.088 6.310 11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.129 6.925 12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.113 8.534 10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.767 8.595 11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.770 10.344 12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.688 9.122 13.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.312 9.515 12.531 1.00 0.00 H new ATOM 275 N ARG A 19 -10.018 7.158 10.069 1.00 0.00 N ATOM 276 CA ARG A 19 -8.777 7.906 10.217 1.00 0.00 C ATOM 277 C ARG A 19 -8.603 8.900 9.075 1.00 0.00 C ATOM 278 O ARG A 19 -8.103 10.001 9.277 1.00 0.00 O ATOM 279 CB ARG A 19 -7.576 6.956 10.262 1.00 0.00 C ATOM 280 CG ARG A 19 -7.120 6.612 11.666 1.00 0.00 C ATOM 281 CD ARG A 19 -8.207 5.918 12.467 1.00 0.00 C ATOM 282 NE ARG A 19 -7.765 5.611 13.827 1.00 0.00 N ATOM 283 CZ ARG A 19 -8.287 4.649 14.586 1.00 0.00 C ATOM 284 NH1 ARG A 19 -9.235 3.857 14.102 1.00 0.00 N ATOM 285 NH2 ARG A 19 -7.851 4.472 15.825 1.00 0.00 N ATOM 0 H ARG A 19 -9.892 6.147 10.012 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.830 8.456 11.156 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.833 6.036 9.738 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.745 7.410 9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.242 5.968 11.614 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.817 7.523 12.181 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.092 6.554 12.507 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.499 4.997 11.963 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.008 6.170 14.220 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.566 3.984 13.146 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.632 3.121 14.686 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.116 5.073 16.198 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.251 3.735 16.406 1.00 0.00 H new ATOM 299 N ALA A 20 -9.028 8.501 7.883 1.00 0.00 N ATOM 300 CA ALA A 20 -8.934 9.345 6.698 1.00 0.00 C ATOM 301 C ALA A 20 -9.718 10.641 6.867 1.00 0.00 C ATOM 302 O ALA A 20 -9.298 11.689 6.388 1.00 0.00 O ATOM 303 CB ALA A 20 -9.408 8.591 5.468 1.00 0.00 C ATOM 0 H ALA A 20 -9.446 7.587 7.710 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.885 9.610 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.331 9.237 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.788 7.706 5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.446 8.288 5.605 1.00 0.00 H new ATOM 309 N GLU A 21 -10.853 10.574 7.554 1.00 0.00 N ATOM 310 CA GLU A 21 -11.637 11.774 7.813 1.00 0.00 C ATOM 311 C GLU A 21 -10.908 12.686 8.789 1.00 0.00 C ATOM 312 O GLU A 21 -10.951 13.910 8.660 1.00 0.00 O ATOM 313 CB GLU A 21 -13.021 11.433 8.369 1.00 0.00 C ATOM 314 CG GLU A 21 -13.872 10.592 7.435 1.00 0.00 C ATOM 315 CD GLU A 21 -15.328 10.555 7.855 1.00 0.00 C ATOM 316 OE1 GLU A 21 -15.606 10.566 9.074 1.00 0.00 O ATOM 317 OE2 GLU A 21 -16.206 10.514 6.968 1.00 0.00 O ATOM 0 H GLU A 21 -11.246 9.714 7.937 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.767 12.289 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.901 10.901 9.313 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.550 12.360 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.799 10.991 6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.479 9.576 7.406 1.00 0.00 H new ATOM 324 N VAL A 22 -10.238 12.085 9.764 1.00 0.00 N ATOM 325 CA VAL A 22 -9.521 12.851 10.776 1.00 0.00 C ATOM 326 C VAL A 22 -8.240 13.468 10.210 1.00 0.00 C ATOM 327 O VAL A 22 -8.061 14.688 10.245 1.00 0.00 O ATOM 328 CB VAL A 22 -9.168 11.973 11.993 1.00 0.00 C ATOM 329 CG1 VAL A 22 -8.488 12.795 13.079 1.00 0.00 C ATOM 330 CG2 VAL A 22 -10.413 11.288 12.538 1.00 0.00 C ATOM 0 H VAL A 22 -10.176 11.073 9.876 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.187 13.653 11.094 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.468 11.205 11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.249 12.152 13.926 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.570 13.231 12.684 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.157 13.592 13.405 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.143 10.673 13.397 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.138 12.042 12.845 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.850 10.658 11.763 1.00 0.00 H new ATOM 340 N GLU A 23 -7.368 12.632 9.663 1.00 0.00 N ATOM 341 CA GLU A 23 -6.069 13.092 9.179 1.00 0.00 C ATOM 342 C GLU A 23 -6.190 13.800 7.835 1.00 0.00 C ATOM 343 O GLU A 23 -5.403 14.702 7.538 1.00 0.00 O ATOM 344 CB GLU A 23 -5.087 11.922 9.049 1.00 0.00 C ATOM 345 CG GLU A 23 -4.642 11.331 10.376 1.00 0.00 C ATOM 346 CD GLU A 23 -3.669 10.178 10.209 1.00 0.00 C ATOM 347 OE1 GLU A 23 -2.465 10.430 9.964 1.00 0.00 O ATOM 348 OE2 GLU A 23 -4.094 9.012 10.345 1.00 0.00 O ATOM 0 H GLU A 23 -7.534 11.633 9.542 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.689 13.802 9.914 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.552 11.137 8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.207 12.260 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.175 12.111 10.977 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.517 10.985 10.926 1.00 0.00 H new ATOM 355 N ASP A 24 -7.176 13.392 7.035 1.00 0.00 N ATOM 356 CA ASP A 24 -7.353 13.917 5.676 1.00 0.00 C ATOM 357 C ASP A 24 -6.105 13.606 4.856 1.00 0.00 C ATOM 358 O ASP A 24 -5.653 14.390 4.022 1.00 0.00 O ATOM 359 CB ASP A 24 -7.642 15.423 5.711 1.00 0.00 C ATOM 360 CG ASP A 24 -8.040 15.979 4.357 1.00 0.00 C ATOM 361 OD1 ASP A 24 -8.954 15.417 3.719 1.00 0.00 O ATOM 362 OD2 ASP A 24 -7.458 17.001 3.937 1.00 0.00 O ATOM 0 H ASP A 24 -7.870 12.695 7.305 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.211 13.437 5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.440 15.618 6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.757 15.950 6.069 1.00 0.00 H new ATOM 367 N LYS A 25 -5.563 12.428 5.111 1.00 0.00 N ATOM 368 CA LYS A 25 -4.329 11.981 4.493 1.00 0.00 C ATOM 369 C LYS A 25 -4.628 10.816 3.553 1.00 0.00 C ATOM 370 O LYS A 25 -5.603 10.087 3.757 1.00 0.00 O ATOM 371 CB LYS A 25 -3.354 11.559 5.600 1.00 0.00 C ATOM 372 CG LYS A 25 -1.967 11.162 5.125 1.00 0.00 C ATOM 373 CD LYS A 25 -1.109 10.707 6.297 1.00 0.00 C ATOM 374 CE LYS A 25 -0.892 11.828 7.301 1.00 0.00 C ATOM 375 NZ LYS A 25 -0.352 11.327 8.591 1.00 0.00 N ATOM 0 H LYS A 25 -5.970 11.751 5.757 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.877 12.783 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.256 12.382 6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.788 10.720 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.044 10.360 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.492 12.007 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.587 9.862 6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.145 10.356 5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.204 12.562 6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.836 12.342 7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.108 12.133 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.069 10.739 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.500 10.758 8.413 1.00 0.00 H new ATOM 389 N LEU A 26 -3.813 10.658 2.518 1.00 0.00 N ATOM 390 CA LEU A 26 -4.011 9.588 1.546 1.00 0.00 C ATOM 391 C LEU A 26 -3.777 8.223 2.185 1.00 0.00 C ATOM 392 O LEU A 26 -2.922 8.072 3.062 1.00 0.00 O ATOM 393 CB LEU A 26 -3.079 9.774 0.348 1.00 0.00 C ATOM 394 CG LEU A 26 -3.302 11.054 -0.461 1.00 0.00 C ATOM 395 CD1 LEU A 26 -2.287 11.153 -1.588 1.00 0.00 C ATOM 396 CD2 LEU A 26 -4.718 11.101 -1.014 1.00 0.00 C ATOM 0 H LEU A 26 -3.009 11.256 2.329 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.043 9.634 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.049 9.764 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.194 8.918 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.167 11.907 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.459 12.069 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.280 11.168 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.392 10.293 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.855 12.019 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.884 10.241 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.431 11.077 -0.190 1.00 0.00 H new ATOM 408 N LEU A 27 -4.535 7.230 1.741 1.00 0.00 N ATOM 409 CA LEU A 27 -4.464 5.903 2.328 1.00 0.00 C ATOM 410 C LEU A 27 -3.541 5.003 1.520 1.00 0.00 C ATOM 411 O LEU A 27 -3.658 4.914 0.294 1.00 0.00 O ATOM 412 CB LEU A 27 -5.855 5.260 2.411 1.00 0.00 C ATOM 413 CG LEU A 27 -6.846 5.891 3.398 1.00 0.00 C ATOM 414 CD1 LEU A 27 -6.210 6.076 4.767 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.386 7.211 2.865 1.00 0.00 C ATOM 0 H LEU A 27 -5.205 7.320 0.977 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.065 6.014 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.302 5.285 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.730 4.211 2.678 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.687 5.206 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.934 6.525 5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.898 5.107 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.341 6.729 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.086 7.635 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.560 7.905 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.899 7.039 1.919 1.00 0.00 H new ATOM 427 N PHE A 28 -2.627 4.344 2.214 1.00 0.00 N ATOM 428 CA PHE A 28 -1.741 3.376 1.598 1.00 0.00 C ATOM 429 C PHE A 28 -2.062 1.989 2.134 1.00 0.00 C ATOM 430 O PHE A 28 -1.713 1.653 3.266 1.00 0.00 O ATOM 431 CB PHE A 28 -0.277 3.734 1.876 1.00 0.00 C ATOM 432 CG PHE A 28 0.704 2.742 1.319 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.947 2.681 -0.041 1.00 0.00 C ATOM 434 CD2 PHE A 28 1.386 1.874 2.158 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.851 1.774 -0.556 1.00 0.00 C ATOM 436 CE2 PHE A 28 2.291 0.964 1.647 1.00 0.00 C ATOM 437 CZ PHE A 28 2.524 0.915 0.288 1.00 0.00 C ATOM 0 H PHE A 28 -2.481 4.466 3.216 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.891 3.388 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.066 4.716 1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.130 3.812 2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.424 3.350 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.208 1.910 3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.032 1.737 -1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.815 0.292 2.310 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.232 0.205 -0.114 1.00 0.00 H new ATOM 447 N VAL A 29 -2.753 1.198 1.335 1.00 0.00 N ATOM 448 CA VAL A 29 -3.166 -0.126 1.767 1.00 0.00 C ATOM 449 C VAL A 29 -2.281 -1.200 1.146 1.00 0.00 C ATOM 450 O VAL A 29 -2.304 -1.420 -0.067 1.00 0.00 O ATOM 451 CB VAL A 29 -4.642 -0.409 1.414 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.091 -1.742 1.995 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.541 0.717 1.903 1.00 0.00 C ATOM 0 H VAL A 29 -3.039 1.446 0.388 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.060 -0.153 2.852 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.724 -0.464 0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.134 -1.920 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.473 -2.543 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.988 -1.719 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.576 0.495 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.451 0.811 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.241 1.653 1.432 1.00 0.00 H new ATOM 463 N ASP A 30 -1.496 -1.850 1.988 1.00 0.00 N ATOM 464 CA ASP A 30 -0.653 -2.959 1.566 1.00 0.00 C ATOM 465 C ASP A 30 -1.457 -4.251 1.559 1.00 0.00 C ATOM 466 O ASP A 30 -1.964 -4.689 2.596 1.00 0.00 O ATOM 467 CB ASP A 30 0.559 -3.095 2.494 1.00 0.00 C ATOM 468 CG ASP A 30 1.381 -4.341 2.214 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.851 -4.506 1.073 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.590 -5.144 3.150 1.00 0.00 O ATOM 0 H ASP A 30 -1.424 -1.626 2.980 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.294 -2.760 0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.194 -2.215 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.217 -3.116 3.529 1.00 0.00 H new ATOM 475 N CYS A 31 -1.609 -4.832 0.384 1.00 0.00 N ATOM 476 CA CYS A 31 -2.310 -6.094 0.246 1.00 0.00 C ATOM 477 C CYS A 31 -1.337 -7.168 -0.205 1.00 0.00 C ATOM 478 O CYS A 31 -0.816 -7.127 -1.323 1.00 0.00 O ATOM 479 CB CYS A 31 -3.466 -5.960 -0.747 1.00 0.00 C ATOM 480 SG CYS A 31 -4.707 -4.731 -0.267 1.00 0.00 S ATOM 0 H CYS A 31 -1.255 -4.448 -0.492 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.728 -6.378 1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.064 -5.693 -1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.952 -6.929 -0.856 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.644 -4.686 -1.167 1.00 0.00 H new ATOM 486 N PHE A 32 -1.097 -8.126 0.670 1.00 0.00 N ATOM 487 CA PHE A 32 -0.092 -9.140 0.426 1.00 0.00 C ATOM 488 C PHE A 32 -0.726 -10.506 0.205 1.00 0.00 C ATOM 489 O PHE A 32 -1.794 -10.806 0.736 1.00 0.00 O ATOM 490 CB PHE A 32 0.892 -9.204 1.602 1.00 0.00 C ATOM 491 CG PHE A 32 0.262 -9.614 2.907 1.00 0.00 C ATOM 492 CD1 PHE A 32 -0.393 -8.685 3.702 1.00 0.00 C ATOM 493 CD2 PHE A 32 0.326 -10.930 3.338 1.00 0.00 C ATOM 494 CE1 PHE A 32 -0.973 -9.063 4.899 1.00 0.00 C ATOM 495 CE2 PHE A 32 -0.251 -11.312 4.535 1.00 0.00 C ATOM 496 CZ PHE A 32 -0.902 -10.377 5.316 1.00 0.00 C ATOM 0 H PHE A 32 -1.587 -8.222 1.559 1.00 0.00 H new ATOM 0 HA PHE A 32 0.447 -8.865 -0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.688 -9.907 1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.357 -8.226 1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.451 -7.655 3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.833 -11.666 2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.482 -8.330 5.508 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.193 -12.341 4.859 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.354 -10.673 6.251 1.00 0.00 H new ATOM 506 N THR A 33 -0.062 -11.311 -0.602 1.00 0.00 N ATOM 507 CA THR A 33 -0.412 -12.708 -0.749 1.00 0.00 C ATOM 508 C THR A 33 0.559 -13.544 0.083 1.00 0.00 C ATOM 509 O THR A 33 1.695 -13.124 0.319 1.00 0.00 O ATOM 510 CB THR A 33 -0.347 -13.136 -2.233 1.00 0.00 C ATOM 511 OG1 THR A 33 -1.136 -12.241 -3.025 1.00 0.00 O ATOM 512 CG2 THR A 33 -0.852 -14.562 -2.432 1.00 0.00 C ATOM 0 H THR A 33 0.731 -11.016 -1.171 1.00 0.00 H new ATOM 0 HA THR A 33 -1.433 -12.864 -0.401 1.00 0.00 H new ATOM 0 HB THR A 33 0.697 -13.099 -2.545 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.372 -12.675 -3.871 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.790 -14.826 -3.488 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.239 -15.250 -1.850 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.888 -14.631 -2.101 1.00 0.00 H new ATOM 520 N THR A 34 0.116 -14.711 0.536 1.00 0.00 N ATOM 521 CA THR A 34 0.945 -15.593 1.356 1.00 0.00 C ATOM 522 C THR A 34 2.045 -16.281 0.537 1.00 0.00 C ATOM 523 O THR A 34 2.670 -17.240 0.994 1.00 0.00 O ATOM 524 CB THR A 34 0.077 -16.660 2.052 1.00 0.00 C ATOM 525 OG1 THR A 34 -0.862 -17.215 1.116 1.00 0.00 O ATOM 526 CG2 THR A 34 -0.667 -16.067 3.241 1.00 0.00 C ATOM 0 H THR A 34 -0.819 -15.072 0.349 1.00 0.00 H new ATOM 0 HA THR A 34 1.427 -14.966 2.106 1.00 0.00 H new ATOM 0 HB THR A 34 0.734 -17.449 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.409 -17.893 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.272 -16.840 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.051 -15.676 3.962 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.314 -15.259 2.899 1.00 0.00 H new ATOM 534 N TRP A 35 2.287 -15.770 -0.662 1.00 0.00 N ATOM 535 CA TRP A 35 3.302 -16.319 -1.544 1.00 0.00 C ATOM 536 C TRP A 35 4.692 -15.909 -1.076 1.00 0.00 C ATOM 537 O TRP A 35 4.954 -14.728 -0.834 1.00 0.00 O ATOM 538 CB TRP A 35 3.064 -15.828 -2.972 1.00 0.00 C ATOM 539 CG TRP A 35 3.964 -16.460 -3.989 1.00 0.00 C ATOM 540 CD1 TRP A 35 5.154 -15.979 -4.450 1.00 0.00 C ATOM 541 CD2 TRP A 35 3.735 -17.691 -4.677 1.00 0.00 C ATOM 542 NE1 TRP A 35 5.675 -16.834 -5.390 1.00 0.00 N ATOM 543 CE2 TRP A 35 4.822 -17.894 -5.545 1.00 0.00 C ATOM 544 CE3 TRP A 35 2.713 -18.638 -4.643 1.00 0.00 C ATOM 545 CZ2 TRP A 35 4.915 -19.010 -6.370 1.00 0.00 C ATOM 546 CZ3 TRP A 35 2.803 -19.745 -5.463 1.00 0.00 C ATOM 547 CH2 TRP A 35 3.899 -19.924 -6.316 1.00 0.00 C ATOM 0 H TRP A 35 1.788 -14.968 -1.047 1.00 0.00 H new ATOM 0 HA TRP A 35 3.237 -17.407 -1.522 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.028 -16.026 -3.246 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.201 -14.747 -3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.619 -15.060 -4.124 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.554 -16.701 -5.891 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.865 -18.508 -3.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.759 -19.150 -7.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.016 -20.484 -5.446 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.943 -20.802 -6.944 1.00 0.00 H new ATOM 558 N CYS A 36 5.578 -16.881 -0.952 1.00 0.00 N ATOM 559 CA CYS A 36 6.938 -16.613 -0.533 1.00 0.00 C ATOM 560 C CYS A 36 7.819 -16.336 -1.747 1.00 0.00 C ATOM 561 O CYS A 36 8.016 -17.208 -2.600 1.00 0.00 O ATOM 562 CB CYS A 36 7.487 -17.792 0.271 1.00 0.00 C ATOM 563 SG CYS A 36 9.181 -17.565 0.862 1.00 0.00 S ATOM 0 H CYS A 36 5.378 -17.864 -1.136 1.00 0.00 H new ATOM 0 HA CYS A 36 6.941 -15.729 0.105 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.836 -17.967 1.128 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.448 -18.688 -0.348 1.00 0.00 H new ATOM 0 HG CYS A 36 9.551 -18.616 1.532 1.00 0.00 H new ATOM 569 N GLY A 37 8.333 -15.116 -1.828 1.00 0.00 N ATOM 570 CA GLY A 37 9.171 -14.734 -2.946 1.00 0.00 C ATOM 571 C GLY A 37 9.266 -13.229 -3.108 1.00 0.00 C ATOM 572 O GLY A 37 10.047 -12.580 -2.405 1.00 0.00 O ATOM 0 H GLY A 37 8.183 -14.382 -1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.170 -15.146 -2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.773 -15.171 -3.862 1.00 0.00 H new ATOM 576 N PRO A 38 8.461 -12.646 -4.023 1.00 0.00 N ATOM 577 CA PRO A 38 8.437 -11.194 -4.287 1.00 0.00 C ATOM 578 C PRO A 38 8.285 -10.352 -3.020 1.00 0.00 C ATOM 579 O PRO A 38 8.785 -9.228 -2.950 1.00 0.00 O ATOM 580 CB PRO A 38 7.208 -11.020 -5.186 1.00 0.00 C ATOM 581 CG PRO A 38 7.051 -12.333 -5.869 1.00 0.00 C ATOM 582 CD PRO A 38 7.514 -13.373 -4.886 1.00 0.00 C ATOM 0 HA PRO A 38 9.373 -10.856 -4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.323 -10.769 -4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.354 -10.214 -5.905 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.013 -12.502 -6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.643 -12.370 -6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.681 -13.779 -4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.995 -14.212 -5.389 1.00 0.00 H new ATOM 590 N CYS A 39 7.600 -10.902 -2.023 1.00 0.00 N ATOM 591 CA CYS A 39 7.400 -10.217 -0.750 1.00 0.00 C ATOM 592 C CYS A 39 8.735 -9.860 -0.098 1.00 0.00 C ATOM 593 O CYS A 39 8.907 -8.759 0.428 1.00 0.00 O ATOM 594 CB CYS A 39 6.571 -11.104 0.181 1.00 0.00 C ATOM 595 SG CYS A 39 7.086 -12.840 0.189 1.00 0.00 S ATOM 0 H CYS A 39 7.171 -11.826 -2.073 1.00 0.00 H new ATOM 0 HA CYS A 39 6.865 -9.286 -0.936 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.637 -10.711 1.195 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.524 -11.047 -0.116 1.00 0.00 H new ATOM 0 HG CYS A 39 6.142 -13.575 -0.320 1.00 0.00 H new ATOM 601 N LYS A 40 9.685 -10.783 -0.164 1.00 0.00 N ATOM 602 CA LYS A 40 10.998 -10.571 0.428 1.00 0.00 C ATOM 603 C LYS A 40 11.789 -9.564 -0.398 1.00 0.00 C ATOM 604 O LYS A 40 12.503 -8.723 0.146 1.00 0.00 O ATOM 605 CB LYS A 40 11.762 -11.892 0.518 1.00 0.00 C ATOM 606 CG LYS A 40 13.061 -11.792 1.300 1.00 0.00 C ATOM 607 CD LYS A 40 13.802 -13.119 1.341 1.00 0.00 C ATOM 608 CE LYS A 40 12.955 -14.225 1.958 1.00 0.00 C ATOM 609 NZ LYS A 40 12.503 -13.893 3.336 1.00 0.00 N ATOM 0 H LYS A 40 9.570 -11.687 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 40 10.866 -10.176 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.123 -12.641 0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.981 -12.245 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.700 -11.033 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.848 -11.464 2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.091 -13.405 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.722 -13.003 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.085 -14.407 1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.531 -15.150 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.048 -14.726 3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.322 -13.613 3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.822 -13.108 3.298 1.00 0.00 H new ATOM 623 N ARG A 41 11.637 -9.646 -1.714 1.00 0.00 N ATOM 624 CA ARG A 41 12.311 -8.732 -2.631 1.00 0.00 C ATOM 625 C ARG A 41 11.899 -7.291 -2.342 1.00 0.00 C ATOM 626 O ARG A 41 12.725 -6.377 -2.374 1.00 0.00 O ATOM 627 CB ARG A 41 11.971 -9.096 -4.078 1.00 0.00 C ATOM 628 CG ARG A 41 12.738 -8.323 -5.100 1.00 0.00 C ATOM 629 CD ARG A 41 14.199 -8.583 -4.965 1.00 0.00 C ATOM 630 NE ARG A 41 14.539 -9.986 -5.195 1.00 0.00 N ATOM 631 CZ ARG A 41 15.785 -10.442 -5.311 1.00 0.00 C ATOM 632 NH1 ARG A 41 16.815 -9.611 -5.210 1.00 0.00 N ATOM 633 NH2 ARG A 41 16.000 -11.733 -5.526 1.00 0.00 N ATOM 0 H ARG A 41 11.049 -10.341 -2.174 1.00 0.00 H new ATOM 0 HA ARG A 41 13.388 -8.822 -2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.158 -10.159 -4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.905 -8.934 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.404 -8.601 -6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.540 -7.258 -4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.743 -7.959 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.526 -8.292 -3.967 1.00 0.00 H new ATOM 0 HE ARG A 41 13.775 -10.657 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.654 -8.618 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.767 -9.966 -5.300 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.212 -12.376 -5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.954 -12.083 -5.615 1.00 0.00 H new ATOM 647 N LEU A 42 10.618 -7.108 -2.058 1.00 0.00 N ATOM 648 CA LEU A 42 10.073 -5.803 -1.714 1.00 0.00 C ATOM 649 C LEU A 42 10.562 -5.365 -0.337 1.00 0.00 C ATOM 650 O LEU A 42 11.179 -4.306 -0.195 1.00 0.00 O ATOM 651 CB LEU A 42 8.542 -5.872 -1.730 1.00 0.00 C ATOM 652 CG LEU A 42 7.824 -4.540 -1.522 1.00 0.00 C ATOM 653 CD1 LEU A 42 8.141 -3.586 -2.660 1.00 0.00 C ATOM 654 CD2 LEU A 42 6.322 -4.751 -1.399 1.00 0.00 C ATOM 0 H LEU A 42 9.928 -7.859 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 42 10.413 -5.071 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.224 -6.292 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.218 -6.565 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 42 8.180 -4.098 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.622 -2.641 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.216 -3.408 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.813 -4.023 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.830 -3.789 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.944 -5.216 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.114 -5.399 -0.548 1.00 0.00 H new ATOM 666 N SER A 43 10.317 -6.204 0.662 1.00 0.00 N ATOM 667 CA SER A 43 10.603 -5.866 2.054 1.00 0.00 C ATOM 668 C SER A 43 12.083 -5.552 2.271 1.00 0.00 C ATOM 669 O SER A 43 12.430 -4.723 3.113 1.00 0.00 O ATOM 670 CB SER A 43 10.163 -7.015 2.971 1.00 0.00 C ATOM 671 OG SER A 43 10.203 -6.635 4.338 1.00 0.00 O ATOM 0 H SER A 43 9.917 -7.133 0.533 1.00 0.00 H new ATOM 0 HA SER A 43 10.039 -4.967 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.152 -7.325 2.708 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.811 -7.877 2.813 1.00 0.00 H new ATOM 0 HG SER A 43 9.916 -7.388 4.895 1.00 0.00 H new ATOM 677 N LYS A 44 12.944 -6.189 1.490 1.00 0.00 N ATOM 678 CA LYS A 44 14.385 -6.035 1.641 1.00 0.00 C ATOM 679 C LYS A 44 14.843 -4.607 1.330 1.00 0.00 C ATOM 680 O LYS A 44 15.790 -4.108 1.937 1.00 0.00 O ATOM 681 CB LYS A 44 15.114 -7.020 0.724 1.00 0.00 C ATOM 682 CG LYS A 44 16.611 -7.103 0.976 1.00 0.00 C ATOM 683 CD LYS A 44 16.915 -7.683 2.350 1.00 0.00 C ATOM 684 CE LYS A 44 18.411 -7.833 2.573 1.00 0.00 C ATOM 685 NZ LYS A 44 19.055 -8.604 1.477 1.00 0.00 N ATOM 0 H LYS A 44 12.667 -6.822 0.740 1.00 0.00 H new ATOM 0 HA LYS A 44 14.631 -6.245 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.678 -8.011 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.945 -6.729 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.076 -7.721 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.050 -6.109 0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.494 -7.036 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.432 -8.655 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.869 -6.847 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.589 -8.335 3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.984 -8.948 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.454 -9.414 1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.178 -7.990 0.647 1.00 0.00 H new ATOM 699 N VAL A 45 14.181 -3.953 0.384 1.00 0.00 N ATOM 700 CA VAL A 45 14.603 -2.633 -0.048 1.00 0.00 C ATOM 701 C VAL A 45 13.655 -1.519 0.406 1.00 0.00 C ATOM 702 O VAL A 45 14.083 -0.554 1.038 1.00 0.00 O ATOM 703 CB VAL A 45 14.766 -2.575 -1.579 1.00 0.00 C ATOM 704 CG1 VAL A 45 16.040 -3.281 -2.000 1.00 0.00 C ATOM 705 CG2 VAL A 45 13.567 -3.186 -2.293 1.00 0.00 C ATOM 0 H VAL A 45 13.356 -4.314 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 45 15.567 -2.460 0.431 1.00 0.00 H new ATOM 0 HB VAL A 45 14.827 -1.525 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 45 16.142 -3.232 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 45 16.897 -2.795 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 45 15.999 -4.324 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.717 -3.128 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 45 13.461 -4.230 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 45 12.664 -2.638 -2.022 1.00 0.00 H new ATOM 715 N VAL A 46 12.367 -1.663 0.116 1.00 0.00 N ATOM 716 CA VAL A 46 11.423 -0.561 0.293 1.00 0.00 C ATOM 717 C VAL A 46 11.091 -0.323 1.764 1.00 0.00 C ATOM 718 O VAL A 46 10.746 0.787 2.160 1.00 0.00 O ATOM 719 CB VAL A 46 10.122 -0.796 -0.503 1.00 0.00 C ATOM 720 CG1 VAL A 46 10.438 -1.060 -1.967 1.00 0.00 C ATOM 721 CG2 VAL A 46 9.304 -1.925 0.096 1.00 0.00 C ATOM 0 H VAL A 46 11.953 -2.524 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 46 11.916 0.330 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 46 9.517 0.109 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.510 -1.224 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.961 -0.201 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.069 -1.945 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.394 -2.065 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.889 -2.845 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.041 -1.678 1.124 1.00 0.00 H new ATOM 731 N PHE A 47 11.210 -1.365 2.575 1.00 0.00 N ATOM 732 CA PHE A 47 10.939 -1.245 4.001 1.00 0.00 C ATOM 733 C PHE A 47 12.246 -1.152 4.772 1.00 0.00 C ATOM 734 O PHE A 47 12.284 -1.355 5.984 1.00 0.00 O ATOM 735 CB PHE A 47 10.100 -2.427 4.497 1.00 0.00 C ATOM 736 CG PHE A 47 8.782 -2.563 3.788 1.00 0.00 C ATOM 737 CD1 PHE A 47 8.016 -1.445 3.496 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.315 -3.806 3.398 1.00 0.00 C ATOM 739 CE1 PHE A 47 6.811 -1.566 2.833 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.113 -3.934 2.732 1.00 0.00 C ATOM 741 CZ PHE A 47 6.359 -2.812 2.450 1.00 0.00 C ATOM 0 H PHE A 47 11.491 -2.298 2.272 1.00 0.00 H new ATOM 0 HA PHE A 47 10.366 -0.333 4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.670 -3.347 4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.919 -2.311 5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.366 -0.467 3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.899 -4.688 3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.223 -0.687 2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.763 -4.910 2.432 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.417 -2.910 1.931 1.00 0.00 H new ATOM 751 N LYS A 48 13.308 -0.823 4.056 1.00 0.00 N ATOM 752 CA LYS A 48 14.624 -0.678 4.657 1.00 0.00 C ATOM 753 C LYS A 48 15.185 0.713 4.373 1.00 0.00 C ATOM 754 O LYS A 48 15.885 1.293 5.205 1.00 0.00 O ATOM 755 CB LYS A 48 15.565 -1.755 4.113 1.00 0.00 C ATOM 756 CG LYS A 48 16.917 -1.806 4.805 1.00 0.00 C ATOM 757 CD LYS A 48 16.773 -2.140 6.281 1.00 0.00 C ATOM 758 CE LYS A 48 18.123 -2.278 6.965 1.00 0.00 C ATOM 759 NZ LYS A 48 18.912 -1.017 6.914 1.00 0.00 N ATOM 0 H LYS A 48 13.284 -0.650 3.051 1.00 0.00 H new ATOM 0 HA LYS A 48 14.537 -0.800 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.082 -2.727 4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.720 -1.582 3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.547 -2.553 4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.420 -0.845 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.194 -1.360 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.214 -3.069 6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.973 -2.569 8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.689 -3.078 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.762 -1.115 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.195 -0.824 5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.332 -0.230 7.269 1.00 0.00 H new ATOM 773 N ASP A 49 14.872 1.241 3.195 1.00 0.00 N ATOM 774 CA ASP A 49 15.345 2.562 2.796 1.00 0.00 C ATOM 775 C ASP A 49 14.610 3.660 3.558 1.00 0.00 C ATOM 776 O ASP A 49 13.384 3.768 3.489 1.00 0.00 O ATOM 777 CB ASP A 49 15.166 2.758 1.293 1.00 0.00 C ATOM 778 CG ASP A 49 15.705 4.091 0.817 1.00 0.00 C ATOM 779 OD1 ASP A 49 16.942 4.234 0.712 1.00 0.00 O ATOM 780 OD2 ASP A 49 14.898 4.999 0.538 1.00 0.00 O ATOM 0 H ASP A 49 14.292 0.774 2.498 1.00 0.00 H new ATOM 0 HA ASP A 49 16.406 2.628 3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.673 1.953 0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.107 2.687 1.043 1.00 0.00 H new ATOM 785 N SER A 50 15.374 4.477 4.272 1.00 0.00 N ATOM 786 CA SER A 50 14.816 5.515 5.130 1.00 0.00 C ATOM 787 C SER A 50 14.176 6.644 4.321 1.00 0.00 C ATOM 788 O SER A 50 13.265 7.321 4.800 1.00 0.00 O ATOM 789 CB SER A 50 15.912 6.061 6.048 1.00 0.00 C ATOM 790 OG SER A 50 16.468 5.016 6.829 1.00 0.00 O ATOM 0 H SER A 50 16.393 4.440 4.273 1.00 0.00 H new ATOM 0 HA SER A 50 14.024 5.069 5.732 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.693 6.533 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.499 6.831 6.700 1.00 0.00 H new ATOM 0 HG SER A 50 17.169 5.379 7.410 1.00 0.00 H new ATOM 796 N LEU A 51 14.638 6.830 3.090 1.00 0.00 N ATOM 797 CA LEU A 51 14.123 7.886 2.233 1.00 0.00 C ATOM 798 C LEU A 51 12.701 7.566 1.792 1.00 0.00 C ATOM 799 O LEU A 51 11.793 8.393 1.925 1.00 0.00 O ATOM 800 CB LEU A 51 15.028 8.054 1.017 1.00 0.00 C ATOM 801 CG LEU A 51 16.490 8.368 1.334 1.00 0.00 C ATOM 802 CD1 LEU A 51 17.305 8.401 0.054 1.00 0.00 C ATOM 803 CD2 LEU A 51 16.606 9.687 2.087 1.00 0.00 C ATOM 0 H LEU A 51 15.370 6.261 2.664 1.00 0.00 H new ATOM 0 HA LEU A 51 14.107 8.820 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 51 14.989 7.139 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.628 8.854 0.394 1.00 0.00 H new ATOM 0 HG LEU A 51 16.886 7.581 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.345 8.625 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.246 7.431 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.910 9.170 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.655 9.892 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.197 10.492 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.049 9.623 3.022 1.00 0.00 H new ATOM 815 N VAL A 52 12.517 6.359 1.268 1.00 0.00 N ATOM 816 CA VAL A 52 11.197 5.884 0.876 1.00 0.00 C ATOM 817 C VAL A 52 10.286 5.795 2.099 1.00 0.00 C ATOM 818 O VAL A 52 9.121 6.197 2.050 1.00 0.00 O ATOM 819 CB VAL A 52 11.278 4.504 0.182 1.00 0.00 C ATOM 820 CG1 VAL A 52 9.894 3.984 -0.171 1.00 0.00 C ATOM 821 CG2 VAL A 52 12.135 4.587 -1.069 1.00 0.00 C ATOM 0 H VAL A 52 13.269 5.690 1.105 1.00 0.00 H new ATOM 0 HA VAL A 52 10.782 6.599 0.165 1.00 0.00 H new ATOM 0 HB VAL A 52 11.738 3.807 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.983 3.013 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.301 3.881 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.404 4.684 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.181 3.607 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.699 5.306 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.142 4.907 -0.800 1.00 0.00 H new ATOM 831 N ALA A 53 10.838 5.292 3.200 1.00 0.00 N ATOM 832 CA ALA A 53 10.091 5.138 4.442 1.00 0.00 C ATOM 833 C ALA A 53 9.532 6.471 4.931 1.00 0.00 C ATOM 834 O ALA A 53 8.339 6.584 5.204 1.00 0.00 O ATOM 835 CB ALA A 53 10.978 4.518 5.507 1.00 0.00 C ATOM 0 H ALA A 53 11.808 4.982 3.255 1.00 0.00 H new ATOM 0 HA ALA A 53 9.246 4.478 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.412 4.406 6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.320 3.539 5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.839 5.163 5.684 1.00 0.00 H new ATOM 841 N ASP A 54 10.395 7.478 5.022 1.00 0.00 N ATOM 842 CA ASP A 54 9.991 8.798 5.508 1.00 0.00 C ATOM 843 C ASP A 54 8.858 9.373 4.663 1.00 0.00 C ATOM 844 O ASP A 54 7.892 9.926 5.196 1.00 0.00 O ATOM 845 CB ASP A 54 11.181 9.761 5.499 1.00 0.00 C ATOM 846 CG ASP A 54 10.793 11.167 5.918 1.00 0.00 C ATOM 847 OD1 ASP A 54 10.708 11.428 7.137 1.00 0.00 O ATOM 848 OD2 ASP A 54 10.572 12.016 5.033 1.00 0.00 O ATOM 0 H ASP A 54 11.380 7.408 4.766 1.00 0.00 H new ATOM 0 HA ASP A 54 9.634 8.679 6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.953 9.385 6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.614 9.790 4.499 1.00 0.00 H new ATOM 853 N TYR A 55 8.978 9.211 3.350 1.00 0.00 N ATOM 854 CA TYR A 55 7.996 9.732 2.407 1.00 0.00 C ATOM 855 C TYR A 55 6.609 9.146 2.672 1.00 0.00 C ATOM 856 O TYR A 55 5.618 9.880 2.762 1.00 0.00 O ATOM 857 CB TYR A 55 8.442 9.412 0.980 1.00 0.00 C ATOM 858 CG TYR A 55 7.544 9.974 -0.103 1.00 0.00 C ATOM 859 CD1 TYR A 55 7.474 11.343 -0.336 1.00 0.00 C ATOM 860 CD2 TYR A 55 6.779 9.134 -0.903 1.00 0.00 C ATOM 861 CE1 TYR A 55 6.667 11.857 -1.334 1.00 0.00 C ATOM 862 CE2 TYR A 55 5.972 9.640 -1.906 1.00 0.00 C ATOM 863 CZ TYR A 55 5.921 11.002 -2.117 1.00 0.00 C ATOM 864 OH TYR A 55 5.125 11.510 -3.118 1.00 0.00 O ATOM 0 H TYR A 55 9.755 8.717 2.911 1.00 0.00 H new ATOM 0 HA TYR A 55 7.930 10.812 2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.451 9.798 0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.495 8.329 0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.060 12.016 0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.815 8.067 -0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.621 12.923 -1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 55 5.385 8.973 -2.520 1.00 0.00 H new ATOM 0 HH TYR A 55 4.667 10.775 -3.576 1.00 0.00 H new ATOM 874 N PHE A 56 6.543 7.826 2.814 1.00 0.00 N ATOM 875 CA PHE A 56 5.274 7.141 3.023 1.00 0.00 C ATOM 876 C PHE A 56 4.748 7.342 4.440 1.00 0.00 C ATOM 877 O PHE A 56 3.556 7.577 4.629 1.00 0.00 O ATOM 878 CB PHE A 56 5.410 5.651 2.711 1.00 0.00 C ATOM 879 CG PHE A 56 5.398 5.344 1.237 1.00 0.00 C ATOM 880 CD1 PHE A 56 6.555 5.445 0.480 1.00 0.00 C ATOM 881 CD2 PHE A 56 4.224 4.959 0.608 1.00 0.00 C ATOM 882 CE1 PHE A 56 6.541 5.168 -0.875 1.00 0.00 C ATOM 883 CE2 PHE A 56 4.204 4.681 -0.746 1.00 0.00 C ATOM 884 CZ PHE A 56 5.363 4.787 -1.487 1.00 0.00 C ATOM 0 H PHE A 56 7.355 7.209 2.788 1.00 0.00 H new ATOM 0 HA PHE A 56 4.549 7.580 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.339 5.280 3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.596 5.111 3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.478 5.744 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.314 4.875 1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.449 5.249 -1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.283 4.381 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.349 4.572 -2.545 1.00 0.00 H new ATOM 894 N ASN A 57 5.634 7.272 5.430 1.00 0.00 N ATOM 895 CA ASN A 57 5.241 7.448 6.828 1.00 0.00 C ATOM 896 C ASN A 57 4.574 8.802 7.051 1.00 0.00 C ATOM 897 O ASN A 57 3.708 8.945 7.913 1.00 0.00 O ATOM 898 CB ASN A 57 6.453 7.311 7.758 1.00 0.00 C ATOM 899 CG ASN A 57 6.936 5.878 7.912 1.00 0.00 C ATOM 900 OD1 ASN A 57 6.159 4.930 7.821 1.00 0.00 O ATOM 901 ND2 ASN A 57 8.229 5.715 8.159 1.00 0.00 N ATOM 0 H ASN A 57 6.629 7.095 5.292 1.00 0.00 H new ATOM 0 HA ASN A 57 4.522 6.664 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.269 7.922 7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.195 7.707 8.740 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.611 4.777 8.281 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.842 6.528 8.227 1.00 0.00 H new ATOM 908 N ARG A 58 4.979 9.795 6.269 1.00 0.00 N ATOM 909 CA ARG A 58 4.446 11.144 6.412 1.00 0.00 C ATOM 910 C ARG A 58 3.185 11.364 5.574 1.00 0.00 C ATOM 911 O ARG A 58 2.159 11.803 6.091 1.00 0.00 O ATOM 912 CB ARG A 58 5.518 12.173 6.033 1.00 0.00 C ATOM 913 CG ARG A 58 4.999 13.600 5.922 1.00 0.00 C ATOM 914 CD ARG A 58 6.129 14.593 5.703 1.00 0.00 C ATOM 915 NE ARG A 58 6.889 14.838 6.928 1.00 0.00 N ATOM 916 CZ ARG A 58 8.180 14.556 7.081 1.00 0.00 C ATOM 917 NH1 ARG A 58 8.850 13.941 6.117 1.00 0.00 N ATOM 918 NH2 ARG A 58 8.796 14.889 8.209 1.00 0.00 N ATOM 0 H ARG A 58 5.674 9.692 5.530 1.00 0.00 H new ATOM 0 HA ARG A 58 4.165 11.274 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.313 12.144 6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.963 11.884 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.291 13.667 5.096 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.455 13.861 6.830 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.799 14.215 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.719 15.534 5.337 1.00 0.00 H new ATOM 0 HE ARG A 58 6.396 15.253 7.719 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.376 13.681 5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.840 13.727 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.279 15.359 8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.786 14.675 8.332 1.00 0.00 H new ATOM 932 N HIS A 59 3.255 11.047 4.287 1.00 0.00 N ATOM 933 CA HIS A 59 2.195 11.440 3.354 1.00 0.00 C ATOM 934 C HIS A 59 1.084 10.407 3.240 1.00 0.00 C ATOM 935 O HIS A 59 0.041 10.688 2.652 1.00 0.00 O ATOM 936 CB HIS A 59 2.767 11.710 1.962 1.00 0.00 C ATOM 937 CG HIS A 59 3.563 12.972 1.867 1.00 0.00 C ATOM 938 ND1 HIS A 59 2.992 14.212 1.658 1.00 0.00 N ATOM 939 CD2 HIS A 59 4.896 13.185 1.948 1.00 0.00 C ATOM 940 CE1 HIS A 59 3.941 15.126 1.614 1.00 0.00 C ATOM 941 NE2 HIS A 59 5.103 14.528 1.786 1.00 0.00 N ATOM 0 H HIS A 59 4.023 10.525 3.865 1.00 0.00 H new ATOM 0 HA HIS A 59 1.761 12.351 3.766 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.399 10.871 1.671 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.947 11.755 1.246 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.656 12.435 2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.792 16.185 1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.011 14.992 1.797 1.00 0.00 H new ATOM 950 N PHE A 60 1.292 9.223 3.784 1.00 0.00 N ATOM 951 CA PHE A 60 0.309 8.162 3.642 1.00 0.00 C ATOM 952 C PHE A 60 -0.011 7.520 4.981 1.00 0.00 C ATOM 953 O PHE A 60 0.842 7.438 5.865 1.00 0.00 O ATOM 954 CB PHE A 60 0.811 7.091 2.669 1.00 0.00 C ATOM 955 CG PHE A 60 0.994 7.580 1.259 1.00 0.00 C ATOM 956 CD1 PHE A 60 -0.072 7.591 0.374 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.232 8.022 0.817 1.00 0.00 C ATOM 958 CE1 PHE A 60 0.092 8.033 -0.923 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.402 8.466 -0.478 1.00 0.00 C ATOM 960 CZ PHE A 60 1.331 8.472 -1.351 1.00 0.00 C ATOM 0 H PHE A 60 2.121 8.972 4.322 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.602 8.612 3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.762 6.701 3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.106 6.260 2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.042 7.250 0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.073 8.019 1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.747 8.036 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.371 8.809 -0.809 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.462 8.819 -2.365 1.00 0.00 H new ATOM 970 N VAL A 61 -1.253 7.094 5.135 1.00 0.00 N ATOM 971 CA VAL A 61 -1.629 6.267 6.265 1.00 0.00 C ATOM 972 C VAL A 61 -1.379 4.816 5.893 1.00 0.00 C ATOM 973 O VAL A 61 -2.073 4.258 5.042 1.00 0.00 O ATOM 974 CB VAL A 61 -3.111 6.449 6.661 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.453 5.599 7.879 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.422 7.913 6.926 1.00 0.00 C ATOM 0 H VAL A 61 -2.016 7.307 4.492 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.030 6.566 7.125 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.728 6.114 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.501 5.743 8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.277 4.548 7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.826 5.898 8.719 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.471 8.018 7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.794 8.277 7.739 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.225 8.496 6.026 1.00 0.00 H new ATOM 986 N ASN A 62 -0.377 4.220 6.512 1.00 0.00 N ATOM 987 CA ASN A 62 0.060 2.889 6.130 1.00 0.00 C ATOM 988 C ASN A 62 -0.780 1.820 6.803 1.00 0.00 C ATOM 989 O ASN A 62 -0.707 1.616 8.016 1.00 0.00 O ATOM 990 CB ASN A 62 1.541 2.690 6.453 1.00 0.00 C ATOM 991 CG ASN A 62 2.421 3.707 5.751 1.00 0.00 C ATOM 992 OD1 ASN A 62 2.783 3.531 4.590 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.795 4.767 6.456 1.00 0.00 N ATOM 0 H ASN A 62 0.149 4.635 7.281 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.074 2.793 5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.690 2.765 7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.844 1.685 6.159 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.403 5.470 6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.474 4.879 7.418 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.580 1.148 6.002 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.461 0.104 6.481 1.00 0.00 C ATOM 1002 C LEU A 63 -2.099 -1.217 5.826 1.00 0.00 C ATOM 1003 O LEU A 63 -1.726 -1.243 4.658 1.00 0.00 O ATOM 1004 CB LEU A 63 -3.912 0.458 6.144 1.00 0.00 C ATOM 1005 CG LEU A 63 -4.944 -0.592 6.541 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.017 -0.706 8.049 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.305 -0.252 5.956 1.00 0.00 C ATOM 0 H LEU A 63 -1.638 1.311 4.997 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.350 0.013 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.164 1.397 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.987 0.631 5.070 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.636 -1.556 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.757 -1.458 8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.042 -0.998 8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.305 0.256 8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.028 -1.013 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.629 0.720 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.236 -0.219 4.869 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.194 -2.309 6.569 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.965 -3.622 5.979 1.00 0.00 C ATOM 1021 C LYS A 64 -3.232 -4.467 6.058 1.00 0.00 C ATOM 1022 O LYS A 64 -3.870 -4.541 7.109 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.797 -4.332 6.664 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.419 -5.639 5.995 1.00 0.00 C ATOM 1025 CD LYS A 64 0.897 -6.186 6.521 1.00 0.00 C ATOM 1026 CE LYS A 64 2.037 -5.213 6.281 1.00 0.00 C ATOM 1027 NZ LYS A 64 3.364 -5.871 6.393 1.00 0.00 N ATOM 0 H LYS A 64 -2.423 -2.316 7.563 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.705 -3.485 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.069 -3.670 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.057 -4.526 7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.208 -6.372 6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.344 -5.487 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.808 -6.388 7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.119 -7.136 6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.934 -4.771 5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.975 -4.397 7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.114 -5.171 6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.474 -6.270 7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.434 -6.633 5.689 1.00 0.00 H new ATOM 1041 N MET A 65 -3.596 -5.094 4.946 1.00 0.00 N ATOM 1042 CA MET A 65 -4.835 -5.858 4.871 1.00 0.00 C ATOM 1043 C MET A 65 -4.592 -7.253 4.303 1.00 0.00 C ATOM 1044 O MET A 65 -3.867 -7.417 3.320 1.00 0.00 O ATOM 1045 CB MET A 65 -5.857 -5.110 4.007 1.00 0.00 C ATOM 1046 CG MET A 65 -7.196 -5.823 3.876 1.00 0.00 C ATOM 1047 SD MET A 65 -8.033 -6.037 5.458 1.00 0.00 S ATOM 1048 CE MET A 65 -9.508 -6.907 4.941 1.00 0.00 C ATOM 0 H MET A 65 -3.051 -5.088 4.084 1.00 0.00 H new ATOM 0 HA MET A 65 -5.227 -5.970 5.882 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.024 -4.121 4.434 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.437 -4.961 3.012 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.840 -5.256 3.204 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.039 -6.800 3.419 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.132 -7.113 5.810 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.063 -6.292 4.233 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.228 -7.847 4.465 1.00 0.00 H new ATOM 1058 N ASP A 66 -5.204 -8.248 4.936 1.00 0.00 N ATOM 1059 CA ASP A 66 -5.125 -9.634 4.480 1.00 0.00 C ATOM 1060 C ASP A 66 -5.879 -9.820 3.178 1.00 0.00 C ATOM 1061 O ASP A 66 -6.748 -9.021 2.819 1.00 0.00 O ATOM 1062 CB ASP A 66 -5.733 -10.592 5.484 1.00 0.00 C ATOM 1063 CG ASP A 66 -5.107 -11.973 5.432 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -5.591 -12.815 4.646 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -4.141 -12.227 6.175 1.00 0.00 O ATOM 0 H ASP A 66 -5.767 -8.119 5.777 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.064 -9.849 4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.616 -10.182 6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.804 -10.676 5.297 1.00 0.00 H new ATOM 1070 N MET A 67 -5.540 -10.880 2.483 1.00 0.00 N ATOM 1071 CA MET A 67 -6.156 -11.203 1.214 1.00 0.00 C ATOM 1072 C MET A 67 -7.248 -12.252 1.382 1.00 0.00 C ATOM 1073 O MET A 67 -8.111 -12.415 0.521 1.00 0.00 O ATOM 1074 CB MET A 67 -5.072 -11.722 0.301 1.00 0.00 C ATOM 1075 CG MET A 67 -5.457 -11.753 -1.169 1.00 0.00 C ATOM 1076 SD MET A 67 -5.856 -10.121 -1.825 1.00 0.00 S ATOM 1077 CE MET A 67 -4.281 -9.298 -1.628 1.00 0.00 C ATOM 0 H MET A 67 -4.827 -11.546 2.781 1.00 0.00 H new ATOM 0 HA MET A 67 -6.625 -10.314 0.794 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.184 -11.100 0.419 1.00 0.00 H new ATOM 0 HB3 MET A 67 -4.800 -12.730 0.615 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.636 -12.180 -1.745 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.315 -12.412 -1.301 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.253 -8.410 -2.259 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.151 -9.006 -0.586 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.478 -9.975 -1.918 1.00 0.00 H new ATOM 1087 N GLU A 68 -7.206 -12.954 2.502 1.00 0.00 N ATOM 1088 CA GLU A 68 -8.149 -14.025 2.772 1.00 0.00 C ATOM 1089 C GLU A 68 -9.032 -13.669 3.957 1.00 0.00 C ATOM 1090 O GLU A 68 -10.258 -13.740 3.876 1.00 0.00 O ATOM 1091 CB GLU A 68 -7.400 -15.326 3.071 1.00 0.00 C ATOM 1092 CG GLU A 68 -6.669 -15.921 1.877 1.00 0.00 C ATOM 1093 CD GLU A 68 -7.616 -16.447 0.821 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -8.649 -17.047 1.189 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -7.322 -16.286 -0.384 1.00 0.00 O ATOM 0 H GLU A 68 -6.523 -12.799 3.244 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.773 -14.161 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.679 -15.141 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.111 -16.061 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.023 -15.162 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.023 -16.731 2.217 1.00 0.00 H new ATOM 1102 N LYS A 69 -8.399 -13.274 5.051 1.00 0.00 N ATOM 1103 CA LYS A 69 -9.113 -12.990 6.286 1.00 0.00 C ATOM 1104 C LYS A 69 -9.871 -11.671 6.187 1.00 0.00 C ATOM 1105 O LYS A 69 -9.322 -10.650 5.760 1.00 0.00 O ATOM 1106 CB LYS A 69 -8.137 -12.966 7.464 1.00 0.00 C ATOM 1107 CG LYS A 69 -7.347 -14.255 7.608 1.00 0.00 C ATOM 1108 CD LYS A 69 -6.444 -14.232 8.829 1.00 0.00 C ATOM 1109 CE LYS A 69 -5.624 -15.505 8.928 1.00 0.00 C ATOM 1110 NZ LYS A 69 -4.810 -15.554 10.170 1.00 0.00 N ATOM 0 H LYS A 69 -7.389 -13.143 5.108 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.843 -13.782 6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.444 -12.134 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.692 -12.782 8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.036 -15.097 7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.744 -14.413 6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.778 -13.370 8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.048 -14.114 9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.290 -16.367 8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.967 -15.580 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.267 -16.441 10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.155 -14.746 10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.437 -15.509 10.998 1.00 0.00 H new ATOM 1124 N GLY A 70 -11.134 -11.707 6.575 1.00 0.00 N ATOM 1125 CA GLY A 70 -11.971 -10.530 6.505 1.00 0.00 C ATOM 1126 C GLY A 70 -12.613 -10.384 5.144 1.00 0.00 C ATOM 1127 O GLY A 70 -12.911 -11.377 4.479 1.00 0.00 O ATOM 0 H GLY A 70 -11.598 -12.538 6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.746 -10.588 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.374 -9.645 6.723 1.00 0.00 H new ATOM 1131 N GLU A 71 -12.830 -9.152 4.719 1.00 0.00 N ATOM 1132 CA GLU A 71 -13.385 -8.888 3.400 1.00 0.00 C ATOM 1133 C GLU A 71 -12.276 -8.760 2.357 1.00 0.00 C ATOM 1134 O GLU A 71 -12.501 -8.233 1.272 1.00 0.00 O ATOM 1135 CB GLU A 71 -14.243 -7.617 3.410 1.00 0.00 C ATOM 1136 CG GLU A 71 -13.528 -6.387 3.949 1.00 0.00 C ATOM 1137 CD GLU A 71 -13.693 -6.220 5.446 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -13.015 -6.934 6.213 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -14.500 -5.364 5.862 1.00 0.00 O ATOM 0 H GLU A 71 -12.630 -8.316 5.268 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.019 -9.734 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.580 -7.412 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.134 -7.798 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.467 -6.456 3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.911 -5.500 3.445 1.00 0.00 H new ATOM 1146 N GLY A 72 -11.087 -9.266 2.682 1.00 0.00 N ATOM 1147 CA GLY A 72 -9.961 -9.194 1.762 1.00 0.00 C ATOM 1148 C GLY A 72 -10.264 -9.852 0.430 1.00 0.00 C ATOM 1149 O GLY A 72 -9.853 -9.364 -0.623 1.00 0.00 O ATOM 0 H GLY A 72 -10.883 -9.726 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.696 -8.150 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.094 -9.676 2.214 1.00 0.00 H new ATOM 1153 N VAL A 73 -11.008 -10.948 0.482 1.00 0.00 N ATOM 1154 CA VAL A 73 -11.399 -11.672 -0.720 1.00 0.00 C ATOM 1155 C VAL A 73 -12.322 -10.825 -1.599 1.00 0.00 C ATOM 1156 O VAL A 73 -12.381 -11.006 -2.819 1.00 0.00 O ATOM 1157 CB VAL A 73 -12.096 -13.004 -0.373 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -11.141 -13.928 0.370 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -13.348 -12.763 0.460 1.00 0.00 C ATOM 0 H VAL A 73 -11.355 -11.357 1.349 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.485 -11.889 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.392 -13.482 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.649 -14.863 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.274 -14.135 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.815 -13.448 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.821 -13.718 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.077 -12.259 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.044 -12.140 -0.101 1.00 0.00 H new ATOM 1169 N GLU A 74 -13.027 -9.886 -0.976 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.925 -9.004 -1.700 1.00 0.00 C ATOM 1171 C GLU A 74 -13.122 -7.953 -2.457 1.00 0.00 C ATOM 1172 O GLU A 74 -13.340 -7.739 -3.645 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.921 -8.339 -0.743 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.874 -7.372 -1.424 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.990 -6.912 -0.508 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -16.817 -5.899 0.202 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -18.056 -7.562 -0.501 1.00 0.00 O ATOM 0 H GLU A 74 -12.991 -9.719 0.030 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.493 -9.596 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -15.501 -9.114 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.367 -7.805 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.316 -6.504 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.305 -7.851 -2.303 1.00 0.00 H new ATOM 1184 N LEU A 75 -12.176 -7.317 -1.766 1.00 0.00 N ATOM 1185 CA LEU A 75 -11.294 -6.341 -2.395 1.00 0.00 C ATOM 1186 C LEU A 75 -10.492 -6.985 -3.521 1.00 0.00 C ATOM 1187 O LEU A 75 -10.290 -6.380 -4.573 1.00 0.00 O ATOM 1188 CB LEU A 75 -10.339 -5.710 -1.374 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.954 -4.644 -0.460 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -11.866 -5.261 0.587 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -9.859 -3.824 0.203 1.00 0.00 C ATOM 0 H LEU A 75 -12.003 -7.462 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.923 -5.554 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.927 -6.503 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.504 -5.262 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.564 -3.986 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.283 -4.474 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.676 -5.798 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.295 -5.954 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.309 -3.071 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.223 -4.480 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.258 -3.333 -0.562 1.00 0.00 H new ATOM 1203 N ARG A 76 -10.053 -8.219 -3.300 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.304 -8.957 -4.310 1.00 0.00 C ATOM 1205 C ARG A 76 -10.121 -9.105 -5.588 1.00 0.00 C ATOM 1206 O ARG A 76 -9.611 -8.915 -6.693 1.00 0.00 O ATOM 1207 CB ARG A 76 -8.915 -10.336 -3.781 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.128 -11.164 -4.784 1.00 0.00 C ATOM 1209 CD ARG A 76 -7.704 -12.497 -4.203 1.00 0.00 C ATOM 1210 NE ARG A 76 -8.845 -13.327 -3.816 1.00 0.00 N ATOM 1211 CZ ARG A 76 -8.787 -14.260 -2.867 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -7.652 -14.468 -2.220 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -9.857 -14.987 -2.567 1.00 0.00 N ATOM 0 H ARG A 76 -10.203 -8.730 -2.430 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.399 -8.395 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.322 -10.216 -2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.818 -10.878 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.736 -11.332 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.245 -10.608 -5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.100 -13.033 -4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.071 -12.326 -3.332 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.732 -13.184 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.826 -13.915 -2.449 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.603 -15.181 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.734 -14.833 -3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.802 -15.699 -1.839 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.394 -9.427 -5.428 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.283 -9.603 -6.562 1.00 0.00 C ATOM 1229 C LYS A 77 -12.651 -8.247 -7.156 1.00 0.00 C ATOM 1230 O LYS A 77 -12.875 -8.120 -8.360 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.545 -10.349 -6.121 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.506 -10.663 -7.255 1.00 0.00 C ATOM 1233 CD LYS A 77 -15.790 -11.319 -6.760 1.00 0.00 C ATOM 1234 CE LYS A 77 -15.599 -12.782 -6.376 1.00 0.00 C ATOM 1235 NZ LYS A 77 -14.848 -12.952 -5.102 1.00 0.00 N ATOM 0 H LYS A 77 -11.835 -9.572 -4.520 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.774 -10.191 -7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.253 -11.281 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.065 -9.751 -5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.752 -9.743 -7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.016 -11.323 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.164 -10.768 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.551 -11.249 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.575 -13.259 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.068 -13.296 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.229 -13.767 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.842 -13.114 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.947 -12.094 -4.523 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.682 -7.236 -6.301 1.00 0.00 N ATOM 1250 CA LYS A 78 -13.109 -5.901 -6.694 1.00 0.00 C ATOM 1251 C LYS A 78 -12.039 -5.190 -7.520 1.00 0.00 C ATOM 1252 O LYS A 78 -12.343 -4.570 -8.539 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.437 -5.076 -5.445 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.878 -3.649 -5.733 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.127 -2.882 -4.443 1.00 0.00 C ATOM 1256 CE LYS A 78 -14.537 -1.446 -4.715 1.00 0.00 C ATOM 1257 NZ LYS A 78 -14.747 -0.677 -3.461 1.00 0.00 N ATOM 0 H LYS A 78 -12.414 -7.316 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.999 -6.000 -7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -14.225 -5.581 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.558 -5.049 -4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.114 -3.140 -6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.787 -3.660 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.907 -3.381 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.224 -2.893 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.769 -0.958 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.455 -1.437 -5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.026 0.298 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.498 -1.127 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.865 -0.663 -2.911 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.794 -5.285 -7.075 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.690 -4.581 -7.718 1.00 0.00 C ATOM 1273 C TYR A 79 -8.962 -5.480 -8.715 1.00 0.00 C ATOM 1274 O TYR A 79 -8.002 -5.053 -9.357 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.708 -4.061 -6.662 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.293 -2.996 -5.761 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -10.041 -3.337 -4.642 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -9.100 -1.649 -6.034 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.583 -2.368 -3.823 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -9.637 -0.673 -5.218 1.00 0.00 C ATOM 1281 CZ TYR A 79 -10.378 -1.037 -4.116 1.00 0.00 C ATOM 1282 OH TYR A 79 -10.920 -0.067 -3.302 1.00 0.00 O ATOM 0 H TYR A 79 -10.521 -5.845 -6.267 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.106 -3.737 -8.268 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.370 -4.897 -6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.829 -3.657 -7.164 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.201 -4.379 -4.409 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.521 -1.360 -6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.164 -2.651 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.477 0.371 -5.443 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.682 0.819 -3.646 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.423 -6.721 -8.839 1.00 0.00 N ATOM 1293 CA GLY A 80 -8.819 -7.650 -9.780 1.00 0.00 C ATOM 1294 C GLY A 80 -7.404 -8.021 -9.394 1.00 0.00 C ATOM 1295 O GLY A 80 -6.462 -7.811 -10.164 1.00 0.00 O ATOM 0 H GLY A 80 -10.204 -7.101 -8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.427 -8.553 -9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.817 -7.205 -10.775 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.262 -8.579 -8.203 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.956 -8.922 -7.663 1.00 0.00 C ATOM 1301 C VAL A 81 -5.582 -10.363 -7.996 1.00 0.00 C ATOM 1302 O VAL A 81 -6.224 -11.306 -7.539 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.920 -8.721 -6.130 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -4.572 -9.138 -5.563 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -6.230 -7.272 -5.774 1.00 0.00 C ATOM 0 H VAL A 81 -8.042 -8.806 -7.587 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.230 -8.254 -8.126 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.686 -9.355 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.569 -8.988 -4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.394 -10.191 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.785 -8.535 -6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.200 -7.149 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.489 -6.618 -6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.222 -7.011 -6.142 1.00 0.00 H new ATOM 1315 N HIS A 82 -4.559 -10.526 -8.819 1.00 0.00 N ATOM 1316 CA HIS A 82 -4.031 -11.846 -9.133 1.00 0.00 C ATOM 1317 C HIS A 82 -2.569 -11.950 -8.727 1.00 0.00 C ATOM 1318 O HIS A 82 -2.049 -13.048 -8.518 1.00 0.00 O ATOM 1319 CB HIS A 82 -4.177 -12.161 -10.624 1.00 0.00 C ATOM 1320 CG HIS A 82 -5.560 -12.568 -11.027 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -6.044 -12.406 -12.303 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -6.555 -13.157 -10.323 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -7.271 -12.878 -12.368 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -7.606 -13.344 -11.182 1.00 0.00 N ATOM 0 H HIS A 82 -4.075 -9.758 -9.284 1.00 0.00 H new ATOM 0 HA HIS A 82 -4.611 -12.575 -8.567 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.885 -11.283 -11.201 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.483 -12.960 -10.886 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.526 -13.429 -9.278 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.899 -12.883 -13.247 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.500 -13.773 -10.943 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.907 -10.809 -8.610 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.494 -10.782 -8.257 1.00 0.00 C ATOM 1335 C ALA A 83 -0.319 -10.840 -6.744 1.00 0.00 C ATOM 1336 O ALA A 83 -1.297 -10.834 -5.996 1.00 0.00 O ATOM 1337 CB ALA A 83 0.179 -9.549 -8.839 1.00 0.00 C ATOM 0 H ALA A 83 -2.324 -9.890 -8.754 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.013 -11.661 -8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.234 -9.547 -8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.087 -9.563 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.300 -8.653 -8.445 1.00 0.00 H new ATOM 1343 N TYR A 84 0.929 -10.879 -6.296 1.00 0.00 N ATOM 1344 CA TYR A 84 1.227 -11.099 -4.884 1.00 0.00 C ATOM 1345 C TYR A 84 1.369 -9.786 -4.107 1.00 0.00 C ATOM 1346 O TYR A 84 0.718 -9.614 -3.075 1.00 0.00 O ATOM 1347 CB TYR A 84 2.488 -11.952 -4.744 1.00 0.00 C ATOM 1348 CG TYR A 84 2.465 -13.185 -5.624 1.00 0.00 C ATOM 1349 CD1 TYR A 84 1.444 -14.121 -5.513 1.00 0.00 C ATOM 1350 CD2 TYR A 84 3.451 -13.400 -6.578 1.00 0.00 C ATOM 1351 CE1 TYR A 84 1.411 -15.240 -6.324 1.00 0.00 C ATOM 1352 CE2 TYR A 84 3.421 -14.515 -7.395 1.00 0.00 C ATOM 1353 CZ TYR A 84 2.400 -15.431 -7.263 1.00 0.00 C ATOM 1354 OH TYR A 84 2.364 -16.540 -8.073 1.00 0.00 O ATOM 0 H TYR A 84 1.751 -10.761 -6.888 1.00 0.00 H new ATOM 0 HA TYR A 84 0.382 -11.632 -4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.359 -11.348 -4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.601 -12.256 -3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.664 -13.972 -4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.254 -12.685 -6.683 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.613 -15.961 -6.222 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.194 -14.667 -8.133 1.00 0.00 H new ATOM 0 HH TYR A 84 3.132 -16.526 -8.681 1.00 0.00 H new ATOM 1364 N PRO A 85 2.225 -8.844 -4.558 1.00 0.00 N ATOM 1365 CA PRO A 85 2.357 -7.550 -3.917 1.00 0.00 C ATOM 1366 C PRO A 85 1.458 -6.500 -4.567 1.00 0.00 C ATOM 1367 O PRO A 85 1.734 -6.033 -5.676 1.00 0.00 O ATOM 1368 CB PRO A 85 3.835 -7.210 -4.133 1.00 0.00 C ATOM 1369 CG PRO A 85 4.288 -8.034 -5.308 1.00 0.00 C ATOM 1370 CD PRO A 85 3.148 -8.949 -5.695 1.00 0.00 C ATOM 0 HA PRO A 85 2.060 -7.568 -2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.965 -6.146 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.422 -7.443 -3.245 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.562 -7.390 -6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.173 -8.615 -5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.677 -8.632 -6.625 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.488 -9.974 -5.843 1.00 0.00 H new ATOM 1378 N THR A 86 0.372 -6.140 -3.897 1.00 0.00 N ATOM 1379 CA THR A 86 -0.570 -5.182 -4.455 1.00 0.00 C ATOM 1380 C THR A 86 -0.674 -3.943 -3.570 1.00 0.00 C ATOM 1381 O THR A 86 -1.020 -4.034 -2.388 1.00 0.00 O ATOM 1382 CB THR A 86 -1.967 -5.812 -4.634 1.00 0.00 C ATOM 1383 OG1 THR A 86 -1.841 -7.126 -5.197 1.00 0.00 O ATOM 1384 CG2 THR A 86 -2.833 -4.955 -5.550 1.00 0.00 C ATOM 0 H THR A 86 0.123 -6.494 -2.973 1.00 0.00 H new ATOM 0 HA THR A 86 -0.193 -4.887 -5.434 1.00 0.00 H new ATOM 0 HB THR A 86 -2.442 -5.873 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.224 -7.784 -4.580 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.813 -5.418 -5.662 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.948 -3.961 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.357 -4.872 -6.527 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.379 -2.788 -4.150 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.393 -1.534 -3.415 1.00 0.00 C ATOM 1394 C LEU A 87 -1.645 -0.742 -3.765 1.00 0.00 C ATOM 1395 O LEU A 87 -1.870 -0.403 -4.926 1.00 0.00 O ATOM 1396 CB LEU A 87 0.856 -0.698 -3.727 1.00 0.00 C ATOM 1397 CG LEU A 87 2.194 -1.263 -3.219 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.620 -2.497 -4.004 1.00 0.00 C ATOM 1399 CD2 LEU A 87 3.278 -0.200 -3.281 1.00 0.00 C ATOM 0 H LEU A 87 -0.126 -2.695 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.394 -1.764 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.924 -0.574 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.719 0.296 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 87 2.049 -1.564 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.569 -2.866 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.861 -3.272 -3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.736 -2.237 -5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.217 -0.617 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.403 0.133 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.992 0.648 -2.658 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.464 -0.461 -2.766 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.714 0.249 -2.994 1.00 0.00 C ATOM 1413 C LEU A 88 -3.601 1.689 -2.511 1.00 0.00 C ATOM 1414 O LEU A 88 -3.312 1.940 -1.339 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.866 -0.455 -2.267 1.00 0.00 C ATOM 1416 CG LEU A 88 -6.230 -0.427 -2.975 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -7.230 -1.288 -2.221 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -6.762 0.996 -3.105 1.00 0.00 C ATOM 0 H LEU A 88 -2.289 -0.712 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.919 0.251 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.585 -1.496 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.981 0.001 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.092 -0.829 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -8.192 -1.260 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.869 -2.316 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.347 -0.906 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.728 0.979 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.879 1.433 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.060 1.595 -3.685 1.00 0.00 H new ATOM 1430 N PHE A 89 -3.825 2.625 -3.417 1.00 0.00 N ATOM 1431 CA PHE A 89 -3.837 4.034 -3.068 1.00 0.00 C ATOM 1432 C PHE A 89 -5.250 4.573 -3.196 1.00 0.00 C ATOM 1433 O PHE A 89 -5.837 4.531 -4.276 1.00 0.00 O ATOM 1434 CB PHE A 89 -2.887 4.816 -3.979 1.00 0.00 C ATOM 1435 CG PHE A 89 -1.446 4.420 -3.832 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -0.913 3.393 -4.596 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -0.623 5.076 -2.931 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.412 3.030 -4.465 1.00 0.00 C ATOM 1439 CE2 PHE A 89 0.703 4.717 -2.795 1.00 0.00 C ATOM 1440 CZ PHE A 89 1.222 3.693 -3.563 1.00 0.00 C ATOM 0 H PHE A 89 -4.002 2.433 -4.403 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.499 4.151 -2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.190 4.671 -5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.986 5.880 -3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.542 2.871 -5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.023 5.878 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.815 2.229 -5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.334 5.236 -2.089 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.259 3.411 -3.459 1.00 0.00 H new ATOM 1450 N ILE A 90 -5.810 5.054 -2.098 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.171 5.562 -2.117 1.00 0.00 C ATOM 1452 C ILE A 90 -7.260 6.877 -1.348 1.00 0.00 C ATOM 1453 O ILE A 90 -6.432 7.155 -0.473 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.162 4.516 -1.546 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -9.605 4.876 -1.910 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -8.012 4.377 -0.040 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -10.624 3.849 -1.459 1.00 0.00 C ATOM 0 H ILE A 90 -5.348 5.103 -1.190 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.451 5.752 -3.153 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.922 3.554 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.853 5.840 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.678 4.996 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.721 3.636 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.997 4.058 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.210 5.338 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -11.622 4.174 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -10.403 2.889 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -10.581 3.745 -0.375 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.239 7.698 -1.701 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.411 8.996 -1.064 1.00 0.00 C ATOM 1471 C ASN A 91 -9.595 8.974 -0.102 1.00 0.00 C ATOM 1472 O ASN A 91 -10.291 7.964 0.011 1.00 0.00 O ATOM 1473 CB ASN A 91 -8.601 10.094 -2.117 1.00 0.00 C ATOM 1474 CG ASN A 91 -9.940 10.036 -2.837 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -10.555 8.977 -2.976 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -10.403 11.185 -3.297 1.00 0.00 N ATOM 0 H ASN A 91 -8.926 7.488 -2.425 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.508 9.215 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.501 11.067 -1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.801 10.019 -2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.298 11.215 -3.786 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.866 12.042 -3.163 1.00 0.00 H new ATOM 1483 N SER A 92 -9.825 10.095 0.574 1.00 0.00 N ATOM 1484 CA SER A 92 -10.899 10.207 1.558 1.00 0.00 C ATOM 1485 C SER A 92 -12.272 10.004 0.913 1.00 0.00 C ATOM 1486 O SER A 92 -13.211 9.536 1.561 1.00 0.00 O ATOM 1487 CB SER A 92 -10.832 11.575 2.245 1.00 0.00 C ATOM 1488 OG SER A 92 -11.866 11.731 3.204 1.00 0.00 O ATOM 0 H SER A 92 -9.277 10.947 0.457 1.00 0.00 H new ATOM 0 HA SER A 92 -10.763 9.421 2.301 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.864 11.691 2.732 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.909 12.363 1.496 1.00 0.00 H new ATOM 0 HG SER A 92 -11.792 12.613 3.624 1.00 0.00 H new ATOM 1494 N SER A 93 -12.386 10.345 -0.365 1.00 0.00 N ATOM 1495 CA SER A 93 -13.648 10.210 -1.075 1.00 0.00 C ATOM 1496 C SER A 93 -13.997 8.735 -1.272 1.00 0.00 C ATOM 1497 O SER A 93 -15.162 8.375 -1.439 1.00 0.00 O ATOM 1498 CB SER A 93 -13.571 10.928 -2.424 1.00 0.00 C ATOM 1499 OG SER A 93 -14.836 10.984 -3.063 1.00 0.00 O ATOM 0 H SER A 93 -11.621 10.716 -0.928 1.00 0.00 H new ATOM 0 HA SER A 93 -14.436 10.670 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.193 11.940 -2.276 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.860 10.413 -3.070 1.00 0.00 H new ATOM 0 HG SER A 93 -14.749 11.450 -3.920 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.980 7.884 -1.224 1.00 0.00 N ATOM 1506 CA GLY A 94 -13.195 6.468 -1.418 1.00 0.00 C ATOM 1507 C GLY A 94 -13.144 6.088 -2.880 1.00 0.00 C ATOM 1508 O GLY A 94 -13.709 5.074 -3.287 1.00 0.00 O ATOM 0 H GLY A 94 -12.011 8.152 -1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.438 5.907 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.163 6.187 -1.003 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.470 6.907 -3.676 1.00 0.00 N ATOM 1513 CA GLU A 95 -12.342 6.637 -5.096 1.00 0.00 C ATOM 1514 C GLU A 95 -10.910 6.243 -5.427 1.00 0.00 C ATOM 1515 O GLU A 95 -9.964 6.686 -4.773 1.00 0.00 O ATOM 1516 CB GLU A 95 -12.769 7.850 -5.925 1.00 0.00 C ATOM 1517 CG GLU A 95 -14.209 8.270 -5.679 1.00 0.00 C ATOM 1518 CD GLU A 95 -14.686 9.315 -6.662 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -14.143 10.438 -6.663 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -15.618 9.018 -7.440 1.00 0.00 O ATOM 0 H GLU A 95 -12.006 7.759 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.003 5.808 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.110 8.687 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.640 7.622 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.855 7.394 -5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.302 8.661 -4.666 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.756 5.405 -6.435 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.448 4.908 -6.812 1.00 0.00 C ATOM 1529 C VAL A 96 -8.871 5.733 -7.952 1.00 0.00 C ATOM 1530 O VAL A 96 -9.337 5.646 -9.090 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.516 3.429 -7.238 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -8.122 2.863 -7.438 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -10.290 2.610 -6.216 1.00 0.00 C ATOM 0 H VAL A 96 -11.523 5.054 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.801 4.993 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.045 3.372 -8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.193 1.818 -7.738 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.607 3.429 -8.214 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.563 2.935 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.326 1.569 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.795 2.675 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.305 2.999 -6.131 1.00 0.00 H new ATOM 1543 N VAL A 97 -7.872 6.543 -7.644 1.00 0.00 N ATOM 1544 CA VAL A 97 -7.202 7.335 -8.659 1.00 0.00 C ATOM 1545 C VAL A 97 -6.351 6.426 -9.542 1.00 0.00 C ATOM 1546 O VAL A 97 -6.448 6.461 -10.773 1.00 0.00 O ATOM 1547 CB VAL A 97 -6.310 8.429 -8.031 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -5.743 9.348 -9.104 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -7.086 9.225 -6.990 1.00 0.00 C ATOM 0 H VAL A 97 -7.508 6.669 -6.700 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.967 7.827 -9.259 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.474 7.940 -7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.118 10.110 -8.638 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.143 8.765 -9.803 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.561 9.828 -9.641 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.439 9.990 -6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.946 9.700 -7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.429 8.555 -6.201 1.00 0.00 H new ATOM 1559 N TYR A 98 -5.535 5.592 -8.904 1.00 0.00 N ATOM 1560 CA TYR A 98 -4.699 4.643 -9.618 1.00 0.00 C ATOM 1561 C TYR A 98 -4.417 3.411 -8.761 1.00 0.00 C ATOM 1562 O TYR A 98 -4.149 3.513 -7.561 1.00 0.00 O ATOM 1563 CB TYR A 98 -3.382 5.298 -10.069 1.00 0.00 C ATOM 1564 CG TYR A 98 -2.483 5.758 -8.941 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -2.722 6.951 -8.270 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -1.389 4.994 -8.550 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.901 7.365 -7.242 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -0.565 5.403 -7.523 1.00 0.00 C ATOM 1569 CZ TYR A 98 -0.824 6.589 -6.872 1.00 0.00 C ATOM 1570 OH TYR A 98 -0.005 7.000 -5.847 1.00 0.00 O ATOM 0 H TYR A 98 -5.438 5.557 -7.889 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.243 4.324 -10.507 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.832 4.588 -10.686 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.616 6.155 -10.701 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.564 7.564 -8.558 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.181 4.065 -9.059 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.101 8.294 -6.729 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.279 4.796 -7.230 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.175 6.452 -5.053 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.513 2.249 -9.387 1.00 0.00 N ATOM 1581 CA ARG A 99 -4.172 0.985 -8.744 1.00 0.00 C ATOM 1582 C ARG A 99 -2.753 0.588 -9.115 1.00 0.00 C ATOM 1583 O ARG A 99 -2.247 0.999 -10.159 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.150 -0.112 -9.170 1.00 0.00 C ATOM 1585 CG ARG A 99 -6.491 -0.038 -8.466 1.00 0.00 C ATOM 1586 CD ARG A 99 -7.626 -0.441 -9.388 1.00 0.00 C ATOM 1587 NE ARG A 99 -7.851 0.561 -10.429 1.00 0.00 N ATOM 1588 CZ ARG A 99 -9.012 0.740 -11.060 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -10.035 -0.076 -10.833 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -9.150 1.738 -11.922 1.00 0.00 N ATOM 0 H ARG A 99 -4.828 2.153 -10.352 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.240 1.110 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.310 -0.046 -10.246 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.699 -1.085 -8.974 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.481 -0.690 -7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.658 0.977 -8.104 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.398 -1.402 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.538 -0.575 -8.807 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.069 1.162 -10.689 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.936 -0.846 -10.172 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.920 0.068 -11.320 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.368 2.368 -12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.038 1.876 -12.405 1.00 0.00 H new ATOM 1604 N LEU A 100 -2.112 -0.204 -8.275 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.741 -0.616 -8.530 1.00 0.00 C ATOM 1606 C LEU A 100 -0.574 -2.108 -8.260 1.00 0.00 C ATOM 1607 O LEU A 100 -0.580 -2.550 -7.109 1.00 0.00 O ATOM 1608 CB LEU A 100 0.228 0.199 -7.667 1.00 0.00 C ATOM 1609 CG LEU A 100 1.716 -0.040 -7.945 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.062 0.341 -9.376 1.00 0.00 C ATOM 1611 CD2 LEU A 100 2.572 0.751 -6.967 1.00 0.00 C ATOM 0 H LEU A 100 -2.515 -0.574 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.511 -0.429 -9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.014 1.258 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.031 -0.025 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 100 1.923 -1.102 -7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.123 0.164 -9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.473 -0.263 -10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.839 1.396 -9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.626 0.571 -7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.358 1.814 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.346 0.436 -5.948 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.439 -2.879 -9.328 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.254 -4.318 -9.210 1.00 0.00 C ATOM 1625 C VAL A 101 1.195 -4.702 -9.503 1.00 0.00 C ATOM 1626 O VAL A 101 1.631 -4.755 -10.655 1.00 0.00 O ATOM 1627 CB VAL A 101 -1.220 -5.103 -10.126 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -2.633 -5.059 -9.563 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -1.205 -4.552 -11.545 1.00 0.00 C ATOM 0 H VAL A 101 -0.454 -2.532 -10.287 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.488 -4.591 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.882 -6.139 -10.161 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.303 -5.616 -10.218 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.643 -5.506 -8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.967 -4.023 -9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.894 -5.125 -12.165 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.512 -3.506 -11.532 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.198 -4.630 -11.955 1.00 0.00 H new ATOM 1639 N GLY A 102 1.940 -4.949 -8.442 1.00 0.00 N ATOM 1640 CA GLY A 102 3.348 -5.243 -8.574 1.00 0.00 C ATOM 1641 C GLY A 102 4.193 -4.203 -7.872 1.00 0.00 C ATOM 1642 O GLY A 102 3.793 -3.045 -7.761 1.00 0.00 O ATOM 0 H GLY A 102 1.592 -4.951 -7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.557 -6.228 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.617 -5.281 -9.630 1.00 0.00 H new ATOM 1646 N ALA A 103 5.365 -4.597 -7.410 1.00 0.00 N ATOM 1647 CA ALA A 103 6.200 -3.708 -6.624 1.00 0.00 C ATOM 1648 C ALA A 103 7.666 -3.872 -6.994 1.00 0.00 C ATOM 1649 O ALA A 103 8.189 -4.987 -7.026 1.00 0.00 O ATOM 1650 CB ALA A 103 5.982 -3.966 -5.143 1.00 0.00 C ATOM 0 H ALA A 103 5.760 -5.525 -7.565 1.00 0.00 H new ATOM 0 HA ALA A 103 5.917 -2.679 -6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.612 -3.295 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.936 -3.790 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.241 -4.999 -4.912 1.00 0.00 H new ATOM 1656 N GLU A 104 8.319 -2.757 -7.276 1.00 0.00 N ATOM 1657 CA GLU A 104 9.705 -2.772 -7.714 1.00 0.00 C ATOM 1658 C GLU A 104 10.629 -2.380 -6.566 1.00 0.00 C ATOM 1659 O GLU A 104 10.179 -2.201 -5.434 1.00 0.00 O ATOM 1660 CB GLU A 104 9.900 -1.813 -8.893 1.00 0.00 C ATOM 1661 CG GLU A 104 8.839 -1.936 -9.979 1.00 0.00 C ATOM 1662 CD GLU A 104 8.695 -3.346 -10.520 1.00 0.00 C ATOM 1663 OE1 GLU A 104 9.619 -3.822 -11.209 1.00 0.00 O ATOM 1664 OE2 GLU A 104 7.647 -3.979 -10.264 1.00 0.00 O ATOM 0 H GLU A 104 7.909 -1.825 -7.209 1.00 0.00 H new ATOM 0 HA GLU A 104 9.954 -3.783 -8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.903 -0.790 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.880 -1.993 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.880 -1.608 -9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.089 -1.263 -10.799 1.00 0.00 H new ATOM 1671 N ASP A 105 11.920 -2.258 -6.866 1.00 0.00 N ATOM 1672 CA ASP A 105 12.914 -1.849 -5.873 1.00 0.00 C ATOM 1673 C ASP A 105 12.591 -0.465 -5.314 1.00 0.00 C ATOM 1674 O ASP A 105 11.806 0.278 -5.902 1.00 0.00 O ATOM 1675 CB ASP A 105 14.322 -1.848 -6.482 1.00 0.00 C ATOM 1676 CG ASP A 105 14.863 -3.245 -6.723 1.00 0.00 C ATOM 1677 OD1 ASP A 105 14.545 -3.837 -7.778 1.00 0.00 O ATOM 1678 OD2 ASP A 105 15.625 -3.749 -5.870 1.00 0.00 O ATOM 0 H ASP A 105 12.305 -2.437 -7.793 1.00 0.00 H new ATOM 0 HA ASP A 105 12.883 -2.571 -5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.304 -1.303 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.999 -1.311 -5.818 1.00 0.00 H new ATOM 1683 N ALA A 106 13.231 -0.121 -4.198 1.00 0.00 N ATOM 1684 CA ALA A 106 12.936 1.117 -3.467 1.00 0.00 C ATOM 1685 C ALA A 106 12.879 2.360 -4.374 1.00 0.00 C ATOM 1686 O ALA A 106 11.856 3.049 -4.394 1.00 0.00 O ATOM 1687 CB ALA A 106 13.938 1.320 -2.339 1.00 0.00 C ATOM 0 H ALA A 106 13.966 -0.687 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 106 11.937 0.999 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.705 2.242 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.883 0.479 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.944 1.384 -2.753 1.00 0.00 H new ATOM 1693 N PRO A 107 13.949 2.672 -5.145 1.00 0.00 N ATOM 1694 CA PRO A 107 13.954 3.849 -6.026 1.00 0.00 C ATOM 1695 C PRO A 107 12.873 3.778 -7.106 1.00 0.00 C ATOM 1696 O PRO A 107 12.189 4.768 -7.386 1.00 0.00 O ATOM 1697 CB PRO A 107 15.349 3.821 -6.666 1.00 0.00 C ATOM 1698 CG PRO A 107 15.822 2.418 -6.510 1.00 0.00 C ATOM 1699 CD PRO A 107 15.223 1.927 -5.226 1.00 0.00 C ATOM 0 HA PRO A 107 13.744 4.764 -5.472 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.306 4.107 -7.717 1.00 0.00 H new ATOM 0 HB3 PRO A 107 16.023 4.521 -6.172 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.504 1.802 -7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.911 2.373 -6.476 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.060 0.849 -5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.868 2.138 -4.373 1.00 0.00 H new ATOM 1707 N GLU A 108 12.712 2.600 -7.698 1.00 0.00 N ATOM 1708 CA GLU A 108 11.750 2.401 -8.768 1.00 0.00 C ATOM 1709 C GLU A 108 10.323 2.578 -8.263 1.00 0.00 C ATOM 1710 O GLU A 108 9.497 3.207 -8.923 1.00 0.00 O ATOM 1711 CB GLU A 108 11.922 1.010 -9.374 1.00 0.00 C ATOM 1712 CG GLU A 108 13.307 0.762 -9.954 1.00 0.00 C ATOM 1713 CD GLU A 108 13.675 1.771 -11.020 1.00 0.00 C ATOM 1714 OE1 GLU A 108 14.218 2.839 -10.672 1.00 0.00 O ATOM 1715 OE2 GLU A 108 13.418 1.506 -12.213 1.00 0.00 O ATOM 0 H GLU A 108 13.241 1.764 -7.450 1.00 0.00 H new ATOM 0 HA GLU A 108 11.935 3.153 -9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.720 0.262 -8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.179 0.871 -10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 108 14.045 0.798 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.346 -0.241 -10.378 1.00 0.00 H new ATOM 1722 N LEU A 109 10.045 2.019 -7.091 1.00 0.00 N ATOM 1723 CA LEU A 109 8.727 2.126 -6.479 1.00 0.00 C ATOM 1724 C LEU A 109 8.424 3.572 -6.126 1.00 0.00 C ATOM 1725 O LEU A 109 7.342 4.082 -6.416 1.00 0.00 O ATOM 1726 CB LEU A 109 8.662 1.275 -5.211 1.00 0.00 C ATOM 1727 CG LEU A 109 7.272 1.140 -4.581 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.323 0.408 -5.519 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.361 0.424 -3.243 1.00 0.00 C ATOM 0 H LEU A 109 10.719 1.484 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 109 7.988 1.767 -7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.035 0.278 -5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.338 1.704 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 109 6.875 2.141 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.342 0.324 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.233 0.964 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.713 -0.588 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.365 0.337 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.781 -0.571 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.002 0.992 -2.568 1.00 0.00 H new ATOM 1741 N LEU A 110 9.396 4.217 -5.497 1.00 0.00 N ATOM 1742 CA LEU A 110 9.262 5.609 -5.077 1.00 0.00 C ATOM 1743 C LEU A 110 8.862 6.501 -6.252 1.00 0.00 C ATOM 1744 O LEU A 110 7.913 7.279 -6.154 1.00 0.00 O ATOM 1745 CB LEU A 110 10.574 6.113 -4.465 1.00 0.00 C ATOM 1746 CG LEU A 110 10.519 7.525 -3.880 1.00 0.00 C ATOM 1747 CD1 LEU A 110 9.519 7.590 -2.736 1.00 0.00 C ATOM 1748 CD2 LEU A 110 11.901 7.957 -3.412 1.00 0.00 C ATOM 0 H LEU A 110 10.295 3.796 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 110 8.476 5.656 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.878 5.423 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.349 6.084 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 110 10.189 8.212 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.493 8.602 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.529 7.321 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.817 6.894 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.847 8.964 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 110 12.257 7.268 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.590 7.949 -4.256 1.00 0.00 H new ATOM 1760 N LYS A 111 9.581 6.380 -7.364 1.00 0.00 N ATOM 1761 CA LYS A 111 9.278 7.178 -8.546 1.00 0.00 C ATOM 1762 C LYS A 111 7.973 6.725 -9.193 1.00 0.00 C ATOM 1763 O LYS A 111 7.212 7.546 -9.699 1.00 0.00 O ATOM 1764 CB LYS A 111 10.423 7.126 -9.561 1.00 0.00 C ATOM 1765 CG LYS A 111 10.123 7.891 -10.842 1.00 0.00 C ATOM 1766 CD LYS A 111 11.368 8.091 -11.690 1.00 0.00 C ATOM 1767 CE LYS A 111 12.382 8.982 -10.988 1.00 0.00 C ATOM 1768 NZ LYS A 111 13.499 9.368 -11.887 1.00 0.00 N ATOM 0 H LYS A 111 10.370 5.743 -7.471 1.00 0.00 H new ATOM 0 HA LYS A 111 9.160 8.212 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.324 7.535 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 111 10.634 6.086 -9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 111 9.374 7.350 -11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.694 8.862 -10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.821 7.124 -11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.091 8.536 -12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.884 9.880 -10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.781 8.462 -10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.167 9.974 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.991 8.513 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.122 9.887 -12.706 1.00 0.00 H new ATOM 1782 N LYS A 112 7.715 5.421 -9.158 1.00 0.00 N ATOM 1783 CA LYS A 112 6.495 4.861 -9.733 1.00 0.00 C ATOM 1784 C LYS A 112 5.258 5.493 -9.102 1.00 0.00 C ATOM 1785 O LYS A 112 4.295 5.832 -9.793 1.00 0.00 O ATOM 1786 CB LYS A 112 6.461 3.349 -9.537 1.00 0.00 C ATOM 1787 CG LYS A 112 5.303 2.680 -10.247 1.00 0.00 C ATOM 1788 CD LYS A 112 5.312 2.971 -11.738 1.00 0.00 C ATOM 1789 CE LYS A 112 4.083 2.408 -12.426 1.00 0.00 C ATOM 1790 NZ LYS A 112 4.071 2.735 -13.872 1.00 0.00 N ATOM 0 H LYS A 112 8.336 4.730 -8.736 1.00 0.00 H new ATOM 0 HA LYS A 112 6.492 5.082 -10.800 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.396 2.921 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.401 3.129 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.351 1.603 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.364 3.025 -9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.358 4.048 -11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.209 2.544 -12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.056 1.326 -12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.186 2.808 -11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.217 2.335 -14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.072 3.768 -13.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.915 2.332 -14.326 1.00 0.00 H new ATOM 1804 N VAL A 113 5.295 5.655 -7.785 1.00 0.00 N ATOM 1805 CA VAL A 113 4.183 6.245 -7.051 1.00 0.00 C ATOM 1806 C VAL A 113 4.047 7.737 -7.362 1.00 0.00 C ATOM 1807 O VAL A 113 2.955 8.219 -7.654 1.00 0.00 O ATOM 1808 CB VAL A 113 4.344 6.043 -5.528 1.00 0.00 C ATOM 1809 CG1 VAL A 113 3.209 6.709 -4.769 1.00 0.00 C ATOM 1810 CG2 VAL A 113 4.405 4.559 -5.198 1.00 0.00 C ATOM 0 H VAL A 113 6.087 5.385 -7.202 1.00 0.00 H new ATOM 0 HA VAL A 113 3.277 5.734 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 113 5.278 6.511 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.346 6.552 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.207 7.778 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.259 6.275 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.519 4.430 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.485 4.075 -5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.255 4.107 -5.709 1.00 0.00 H new ATOM 1820 N LYS A 114 5.164 8.458 -7.318 1.00 0.00 N ATOM 1821 CA LYS A 114 5.159 9.900 -7.558 1.00 0.00 C ATOM 1822 C LYS A 114 4.713 10.223 -8.982 1.00 0.00 C ATOM 1823 O LYS A 114 3.875 11.103 -9.194 1.00 0.00 O ATOM 1824 CB LYS A 114 6.541 10.490 -7.278 1.00 0.00 C ATOM 1825 CG LYS A 114 6.918 10.423 -5.811 1.00 0.00 C ATOM 1826 CD LYS A 114 8.327 10.911 -5.552 1.00 0.00 C ATOM 1827 CE LYS A 114 8.428 12.427 -5.565 1.00 0.00 C ATOM 1828 NZ LYS A 114 8.537 12.988 -6.939 1.00 0.00 N ATOM 0 H LYS A 114 6.085 8.068 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 114 4.441 10.354 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.286 9.954 -7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.562 11.529 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.217 11.023 -5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.823 9.395 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 114 8.667 10.536 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.996 10.499 -6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.551 12.849 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 114 9.297 12.733 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.234 13.760 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.842 12.241 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.611 13.355 -7.238 1.00 0.00 H new ATOM 1842 N LEU A 115 5.254 9.490 -9.951 1.00 0.00 N ATOM 1843 CA LEU A 115 4.916 9.699 -11.356 1.00 0.00 C ATOM 1844 C LEU A 115 3.495 9.216 -11.642 1.00 0.00 C ATOM 1845 O LEU A 115 2.855 9.649 -12.603 1.00 0.00 O ATOM 1846 CB LEU A 115 5.920 8.961 -12.250 1.00 0.00 C ATOM 1847 CG LEU A 115 5.808 9.253 -13.750 1.00 0.00 C ATOM 1848 CD1 LEU A 115 6.075 10.724 -14.028 1.00 0.00 C ATOM 1849 CD2 LEU A 115 6.772 8.376 -14.537 1.00 0.00 C ATOM 0 H LEU A 115 5.930 8.744 -9.788 1.00 0.00 H new ATOM 0 HA LEU A 115 4.966 10.766 -11.574 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.928 9.216 -11.922 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.797 7.889 -12.096 1.00 0.00 H new ATOM 0 HG LEU A 115 4.792 9.022 -14.072 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.991 10.913 -15.098 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.346 11.333 -13.494 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.079 10.981 -13.692 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.679 8.597 -15.600 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.793 8.576 -14.213 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.535 7.327 -14.362 1.00 0.00 H new ATOM 1861 N GLY A 116 3.011 8.317 -10.794 1.00 0.00 N ATOM 1862 CA GLY A 116 1.658 7.817 -10.921 1.00 0.00 C ATOM 1863 C GLY A 116 0.630 8.833 -10.467 1.00 0.00 C ATOM 1864 O GLY A 116 -0.548 8.733 -10.812 1.00 0.00 O ATOM 0 H GLY A 116 3.538 7.923 -10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.467 7.548 -11.960 1.00 0.00 H new ATOM 0 HA3 GLY A 116 1.552 6.906 -10.332 1.00 0.00 H new ATOM 1868 N VAL A 117 1.070 9.810 -9.684 1.00 0.00 N ATOM 1869 CA VAL A 117 0.182 10.864 -9.220 1.00 0.00 C ATOM 1870 C VAL A 117 0.321 12.104 -10.094 1.00 0.00 C ATOM 1871 O VAL A 117 -0.670 12.644 -10.590 1.00 0.00 O ATOM 1872 CB VAL A 117 0.460 11.256 -7.753 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -0.598 12.226 -7.254 1.00 0.00 C ATOM 1874 CG2 VAL A 117 0.512 10.028 -6.867 1.00 0.00 C ATOM 0 H VAL A 117 2.033 9.893 -9.359 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.832 10.470 -9.286 1.00 0.00 H new ATOM 0 HB VAL A 117 1.432 11.748 -7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.388 12.493 -6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.586 13.125 -7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.580 11.757 -7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.709 10.330 -5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.443 9.504 -6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.307 9.366 -7.209 1.00 0.00 H new ATOM 1884 N GLU A 118 1.557 12.547 -10.289 1.00 0.00 N ATOM 1885 CA GLU A 118 1.827 13.754 -11.054 1.00 0.00 C ATOM 1886 C GLU A 118 2.025 13.437 -12.529 1.00 0.00 C ATOM 1887 O GLU A 118 3.041 12.861 -12.924 1.00 0.00 O ATOM 1888 CB GLU A 118 3.059 14.469 -10.501 1.00 0.00 C ATOM 1889 CG GLU A 118 2.862 15.014 -9.098 1.00 0.00 C ATOM 1890 CD GLU A 118 4.124 15.621 -8.526 1.00 0.00 C ATOM 1891 OE1 GLU A 118 4.443 16.775 -8.876 1.00 0.00 O ATOM 1892 OE2 GLU A 118 4.801 14.944 -7.725 1.00 0.00 O ATOM 0 H GLU A 118 2.390 12.085 -9.925 1.00 0.00 H new ATOM 0 HA GLU A 118 0.962 14.411 -10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.901 13.777 -10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.323 15.290 -11.168 1.00 0.00 H new ATOM 0 HG2 GLU A 118 2.075 15.768 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 118 2.522 14.211 -8.445 1.00 0.00 H new