USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 972 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 116 SER OG : rot 144:sc= 0.964 USER MOD Set 1.2: A 118 THR OG1 : rot -19:sc= 0.458 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -2.3! K(o=-2.3!,f=-3.8) USER MOD Set 2.2: A 100 MET CE :methyl -175:sc= 0 (180deg=-0.0581) USER MOD Set 2.3: A 112 MET CE :methyl -125:sc= -0.0029 (180deg=-0.021) USER MOD Set 3.1: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 107 MET CE :methyl 166:sc= -0.057 (180deg=-0.331) USER MOD Set 4.1: A 66 LYS NZ :NH3+ 144:sc= 1.2 (180deg=-0.594) USER MOD Set 4.2: A 70 MET CE :methyl 177:sc= 0 (180deg=-0.0291) USER MOD Set 5.1: A 7 ASN : amide:sc= 0.12 K(o=0.28,f=-1) USER MOD Set 5.2: A 10 LYS NZ :NH3+ -148:sc= 0.157 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.37) USER MOD Single : A 23 GLN : amide:sc= -0.846 K(o=-0.85,f=-5.2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.281 USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.0355 (180deg=-0.254) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 146:sc= -1.33 (180deg=-3.6!) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= 0.891 (180deg=0.521) USER MOD Single : A 44 THR OG1 : rot 72:sc= 0.508 USER MOD Single : A 56 HIS : no HE2:sc= 0.311 K(o=0.31,f=-1) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.128 USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0321) USER MOD Single : A 65 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.48) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.454 K(o=-0.45,f=-5.7!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.037 USER MOD Single : A 78 LYS NZ :NH3+ -135:sc= -0.137 (180deg=-1.53!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.39 K(o=0.39,f=-0.18) USER MOD Single : A 84 MET CE :methyl -147:sc= -0.487 (180deg=-2.34!) USER MOD Single : A 86 LYS NZ :NH3+ -161:sc= 0.629 (180deg=0.422) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 83:sc= 0.284 USER MOD Single : A 101 THR OG1 : rot -63:sc= 0.579 USER MOD Single : A 113 THR OG1 : rot -150:sc= -0.363 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -7.496 -5.189 5.576 1.00 0.00 N ATOM 72 CA GLU A 5 -6.051 -5.449 5.852 1.00 0.00 C ATOM 73 C GLU A 5 -5.195 -4.148 5.782 1.00 0.00 C ATOM 74 O GLU A 5 -4.240 -3.979 6.539 1.00 0.00 O ATOM 75 CB GLU A 5 -5.469 -6.554 4.909 1.00 0.00 C ATOM 76 CG GLU A 5 -5.397 -6.214 3.404 1.00 0.00 C ATOM 77 CD GLU A 5 -6.776 -5.992 2.752 1.00 0.00 C ATOM 78 OE1 GLU A 5 -7.471 -6.984 2.459 1.00 0.00 O ATOM 79 OE2 GLU A 5 -7.186 -4.825 2.569 1.00 0.00 O ATOM 0 HA GLU A 5 -5.994 -5.821 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.463 -6.798 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.073 -7.454 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.794 -5.316 3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.884 -7.022 2.882 1.00 0.00 H new ATOM 86 N LYS A 6 -5.507 -3.314 4.786 1.00 0.00 N ATOM 87 CA LYS A 6 -4.938 -1.939 4.695 1.00 0.00 C ATOM 88 C LYS A 6 -5.211 -1.112 5.997 1.00 0.00 C ATOM 89 O LYS A 6 -4.329 -0.408 6.495 1.00 0.00 O ATOM 90 CB LYS A 6 -5.539 -1.210 3.473 1.00 0.00 C ATOM 91 CG LYS A 6 -5.347 -1.963 2.139 1.00 0.00 C ATOM 92 CD LYS A 6 -6.164 -1.350 0.985 1.00 0.00 C ATOM 93 CE LYS A 6 -6.044 -2.170 -0.309 1.00 0.00 C ATOM 94 NZ LYS A 6 -6.837 -1.581 -1.421 1.00 0.00 N ATOM 0 H LYS A 6 -6.146 -3.552 4.028 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.858 -2.028 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.605 -1.056 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.084 -0.223 3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.290 -1.958 1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.637 -3.005 2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.212 -1.287 1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.822 -0.331 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.996 -2.230 -0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.382 -3.190 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.727 -2.166 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.841 -1.547 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.498 -0.617 -1.616 1.00 0.00 H new ATOM 108 N ASN A 7 -6.460 -1.209 6.499 1.00 0.00 N ATOM 109 CA ASN A 7 -6.821 -0.571 7.804 1.00 0.00 C ATOM 110 C ASN A 7 -6.081 -1.232 9.001 1.00 0.00 C ATOM 111 O ASN A 7 -5.926 -0.599 10.047 1.00 0.00 O ATOM 112 CB ASN A 7 -8.357 -0.580 8.049 1.00 0.00 C ATOM 113 CG ASN A 7 -9.116 0.487 7.249 1.00 0.00 C ATOM 114 OD1 ASN A 7 -8.588 1.564 6.965 1.00 0.00 O ATOM 115 ND2 ASN A 7 -10.361 0.212 6.905 1.00 0.00 N ATOM 0 H ASN A 7 -7.225 -1.707 6.043 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.494 0.467 7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.751 -1.563 7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -8.547 -0.428 9.112 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -10.912 0.899 6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -10.772 -0.688 7.154 1.00 0.00 H new ATOM 122 N GLU A 8 -5.669 -2.506 8.833 1.00 0.00 N ATOM 123 CA GLU A 8 -4.764 -3.198 9.791 1.00 0.00 C ATOM 124 C GLU A 8 -3.344 -2.595 9.762 1.00 0.00 C ATOM 125 O GLU A 8 -2.750 -2.381 10.830 1.00 0.00 O ATOM 126 CB GLU A 8 -4.702 -4.744 9.550 1.00 0.00 C ATOM 127 CG GLU A 8 -5.819 -5.569 10.219 1.00 0.00 C ATOM 128 CD GLU A 8 -7.227 -5.358 9.627 1.00 0.00 C ATOM 129 OE1 GLU A 8 -7.891 -4.362 9.987 1.00 0.00 O ATOM 130 OE2 GLU A 8 -7.683 -6.201 8.821 1.00 0.00 O ATOM 0 H GLU A 8 -5.948 -3.084 8.040 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.191 -3.038 10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.733 -4.927 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.740 -5.111 9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.564 -6.626 10.144 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.847 -5.322 11.280 1.00 0.00 H new ATOM 137 N ILE A 9 -2.766 -2.339 8.563 1.00 0.00 N ATOM 138 CA ILE A 9 -1.437 -1.695 8.432 1.00 0.00 C ATOM 139 C ILE A 9 -1.469 -0.237 8.943 1.00 0.00 C ATOM 140 O ILE A 9 -0.498 0.246 9.532 1.00 0.00 O ATOM 141 CB ILE A 9 -0.925 -1.754 6.938 1.00 0.00 C ATOM 142 CG1 ILE A 9 -0.852 -3.239 6.421 1.00 0.00 C ATOM 143 CG2 ILE A 9 0.442 -1.039 6.763 1.00 0.00 C ATOM 144 CD1 ILE A 9 0.148 -4.142 7.151 1.00 0.00 C ATOM 0 H ILE A 9 -3.202 -2.570 7.670 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.736 -2.252 9.054 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.652 -1.216 6.330 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.844 -3.683 6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.596 -3.225 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.756 -1.104 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.344 0.009 7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.187 -1.519 7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.119 -5.142 6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.152 -3.731 7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.115 -4.197 8.207 1.00 0.00 H new ATOM 156 N LYS A 10 -2.600 0.441 8.718 1.00 0.00 N ATOM 157 CA LYS A 10 -2.853 1.794 9.249 1.00 0.00 C ATOM 158 C LYS A 10 -2.875 1.759 10.791 1.00 0.00 C ATOM 159 O LYS A 10 -2.327 2.629 11.447 1.00 0.00 O ATOM 160 CB LYS A 10 -4.210 2.319 8.711 1.00 0.00 C ATOM 161 CG LYS A 10 -4.629 3.711 9.245 1.00 0.00 C ATOM 162 CD LYS A 10 -6.125 4.031 9.002 1.00 0.00 C ATOM 163 CE LYS A 10 -7.059 3.029 9.701 1.00 0.00 C ATOM 164 NZ LYS A 10 -8.487 3.371 9.522 1.00 0.00 N ATOM 0 H LYS A 10 -3.370 0.070 8.162 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.056 2.462 8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.160 2.363 7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.988 1.599 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.422 3.761 10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.018 4.476 8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.342 5.037 9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.326 4.025 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.875 2.029 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.826 3.000 10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.023 3.074 10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.585 4.398 9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.859 2.881 8.683 1.00 0.00 H new ATOM 178 N ARG A 11 -3.589 0.753 11.313 1.00 0.00 N ATOM 179 CA ARG A 11 -3.661 0.450 12.758 1.00 0.00 C ATOM 180 C ARG A 11 -2.265 0.351 13.431 1.00 0.00 C ATOM 181 O ARG A 11 -2.021 1.063 14.410 1.00 0.00 O ATOM 182 CB ARG A 11 -4.498 -0.823 12.993 1.00 0.00 C ATOM 183 CG ARG A 11 -4.621 -1.268 14.466 1.00 0.00 C ATOM 184 CD ARG A 11 -5.699 -2.350 14.653 1.00 0.00 C ATOM 185 NE ARG A 11 -7.052 -1.812 14.371 1.00 0.00 N ATOM 186 CZ ARG A 11 -7.859 -2.174 13.356 1.00 0.00 C ATOM 187 NH1 ARG A 11 -7.496 -3.100 12.480 1.00 0.00 N ATOM 188 NH2 ARG A 11 -9.026 -1.577 13.220 1.00 0.00 N ATOM 0 H ARG A 11 -4.142 0.115 10.740 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.159 1.292 13.240 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.499 -0.658 12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.058 -1.639 12.420 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.660 -1.650 14.811 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.862 -0.405 15.087 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.493 -3.191 13.990 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.662 -2.732 15.673 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.406 -1.098 15.008 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.587 -3.556 12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.125 -3.357 11.719 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.307 -0.851 13.879 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.648 -1.841 12.456 1.00 0.00 H new ATOM 202 N LEU A 12 -1.361 -0.522 12.924 1.00 0.00 N ATOM 203 CA LEU A 12 0.017 -0.664 13.505 1.00 0.00 C ATOM 204 C LEU A 12 0.881 0.607 13.301 1.00 0.00 C ATOM 205 O LEU A 12 1.727 0.947 14.148 1.00 0.00 O ATOM 206 CB LEU A 12 0.726 -1.956 12.981 1.00 0.00 C ATOM 207 CG LEU A 12 0.849 -2.146 11.426 1.00 0.00 C ATOM 208 CD1 LEU A 12 2.164 -1.558 10.856 1.00 0.00 C ATOM 209 CD2 LEU A 12 0.677 -3.628 11.013 1.00 0.00 C ATOM 0 H LEU A 12 -1.546 -1.133 12.128 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.101 -0.776 14.583 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.731 -1.980 13.402 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.192 -2.817 13.382 1.00 0.00 H new ATOM 0 HG LEU A 12 0.030 -1.578 10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.197 -1.717 9.778 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.206 -0.489 11.067 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.016 -2.053 11.322 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.769 -3.717 9.931 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.447 -4.231 11.493 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.306 -3.981 11.324 1.00 0.00 H new ATOM 221 N SER A 13 0.733 1.247 12.133 1.00 0.00 N ATOM 222 CA SER A 13 1.324 2.582 11.892 1.00 0.00 C ATOM 223 C SER A 13 0.923 3.607 12.998 1.00 0.00 C ATOM 224 O SER A 13 1.791 4.228 13.611 1.00 0.00 O ATOM 225 CB SER A 13 0.895 3.083 10.490 1.00 0.00 C ATOM 226 OG SER A 13 1.566 4.277 10.115 1.00 0.00 O ATOM 0 H SER A 13 0.213 0.869 11.341 1.00 0.00 H new ATOM 0 HA SER A 13 2.410 2.491 11.931 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.099 2.307 9.752 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.181 3.256 10.482 1.00 0.00 H new ATOM 0 HG SER A 13 1.266 4.555 9.224 1.00 0.00 H new ATOM 232 N ASP A 14 -0.401 3.773 13.201 1.00 0.00 N ATOM 233 CA ASP A 14 -0.971 4.649 14.269 1.00 0.00 C ATOM 234 C ASP A 14 -0.502 4.226 15.684 1.00 0.00 C ATOM 235 O ASP A 14 -0.361 5.064 16.579 1.00 0.00 O ATOM 236 CB ASP A 14 -2.527 4.610 14.193 1.00 0.00 C ATOM 237 CG ASP A 14 -3.214 5.741 14.988 1.00 0.00 C ATOM 238 OD1 ASP A 14 -3.311 6.870 14.461 1.00 0.00 O ATOM 239 OD2 ASP A 14 -3.646 5.518 16.140 1.00 0.00 O ATOM 0 H ASP A 14 -1.111 3.308 12.635 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.610 5.663 14.097 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.833 4.674 13.149 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.877 3.649 14.569 1.00 0.00 H new ATOM 244 N ARG A 15 -0.329 2.901 15.843 1.00 0.00 N ATOM 245 CA ARG A 15 0.269 2.313 17.068 1.00 0.00 C ATOM 246 C ARG A 15 1.610 3.027 17.378 1.00 0.00 C ATOM 247 O ARG A 15 1.758 3.669 18.438 1.00 0.00 O ATOM 248 CB ARG A 15 0.480 0.777 16.958 1.00 0.00 C ATOM 249 CG ARG A 15 1.081 0.113 18.225 1.00 0.00 C ATOM 250 CD ARG A 15 0.223 0.327 19.480 1.00 0.00 C ATOM 251 NE ARG A 15 0.944 -0.031 20.715 1.00 0.00 N ATOM 252 CZ ARG A 15 0.772 0.566 21.906 1.00 0.00 C ATOM 253 NH1 ARG A 15 -0.120 1.537 22.062 1.00 0.00 N ATOM 254 NH2 ARG A 15 1.500 0.193 22.941 1.00 0.00 N ATOM 0 H ARG A 15 -0.594 2.211 15.140 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.434 2.468 17.886 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.479 0.307 16.738 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.136 0.574 16.112 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.196 -0.956 18.048 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.079 0.516 18.401 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.088 1.371 19.532 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.684 -0.272 19.404 1.00 0.00 H new ATOM 0 HE ARG A 15 1.625 -0.789 20.661 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.687 1.840 21.271 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.238 1.980 22.973 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.193 -0.548 22.837 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.370 0.646 23.846 1.00 0.00 H new ATOM 268 N LEU A 16 2.525 2.996 16.391 1.00 0.00 N ATOM 269 CA LEU A 16 3.846 3.632 16.536 1.00 0.00 C ATOM 270 C LEU A 16 3.677 5.174 16.637 1.00 0.00 C ATOM 271 O LEU A 16 4.366 5.799 17.432 1.00 0.00 O ATOM 272 CB LEU A 16 4.799 3.217 15.361 1.00 0.00 C ATOM 273 CG LEU A 16 6.358 3.314 15.608 1.00 0.00 C ATOM 274 CD1 LEU A 16 6.871 4.768 15.703 1.00 0.00 C ATOM 275 CD2 LEU A 16 6.782 2.504 16.859 1.00 0.00 C ATOM 0 H LEU A 16 2.375 2.540 15.491 1.00 0.00 H new ATOM 0 HA LEU A 16 4.314 3.284 17.457 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.566 2.188 15.088 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.557 3.838 14.498 1.00 0.00 H new ATOM 0 HG LEU A 16 6.827 2.873 14.728 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.948 4.764 15.873 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.653 5.292 14.773 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.375 5.275 16.531 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.859 2.591 17.001 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.267 2.895 17.737 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.518 1.456 16.720 1.00 0.00 H new ATOM 287 N ASP A 17 2.784 5.774 15.811 1.00 0.00 N ATOM 288 CA ASP A 17 2.531 7.240 15.806 1.00 0.00 C ATOM 289 C ASP A 17 2.166 7.785 17.203 1.00 0.00 C ATOM 290 O ASP A 17 2.807 8.714 17.700 1.00 0.00 O ATOM 291 CB ASP A 17 1.384 7.545 14.804 1.00 0.00 C ATOM 292 CG ASP A 17 1.084 9.040 14.626 1.00 0.00 C ATOM 293 OD1 ASP A 17 1.725 9.680 13.772 1.00 0.00 O ATOM 294 OD2 ASP A 17 0.212 9.584 15.342 1.00 0.00 O ATOM 0 H ASP A 17 2.221 5.260 15.133 1.00 0.00 H new ATOM 0 HA ASP A 17 3.452 7.739 15.505 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.642 7.120 13.834 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.478 7.042 15.142 1.00 0.00 H new ATOM 299 N ALA A 18 1.077 7.260 17.792 1.00 0.00 N ATOM 300 CA ALA A 18 0.709 7.505 19.191 1.00 0.00 C ATOM 301 C ALA A 18 1.881 7.300 20.167 1.00 0.00 C ATOM 302 O ALA A 18 2.018 8.085 21.098 1.00 0.00 O ATOM 303 CB ALA A 18 -0.486 6.636 19.586 1.00 0.00 C ATOM 0 H ALA A 18 0.424 6.648 17.302 1.00 0.00 H new ATOM 0 HA ALA A 18 0.429 8.556 19.265 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.748 6.828 20.626 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.337 6.875 18.948 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.227 5.584 19.466 1.00 0.00 H new ATOM 309 N ILE A 19 2.747 6.289 19.910 1.00 0.00 N ATOM 310 CA ILE A 19 3.915 6.010 20.783 1.00 0.00 C ATOM 311 C ILE A 19 4.962 7.143 20.663 1.00 0.00 C ATOM 312 O ILE A 19 5.440 7.636 21.687 1.00 0.00 O ATOM 313 CB ILE A 19 4.560 4.583 20.513 1.00 0.00 C ATOM 314 CG1 ILE A 19 3.587 3.460 21.002 1.00 0.00 C ATOM 315 CG2 ILE A 19 5.964 4.423 21.170 1.00 0.00 C ATOM 316 CD1 ILE A 19 4.051 2.044 20.714 1.00 0.00 C ATOM 0 H ILE A 19 2.661 5.658 19.113 1.00 0.00 H new ATOM 0 HA ILE A 19 3.551 5.983 21.810 1.00 0.00 H new ATOM 0 HB ILE A 19 4.711 4.491 19.437 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.442 3.568 22.077 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.615 3.611 20.532 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.356 3.430 20.953 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.642 5.176 20.768 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.878 4.551 22.249 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.312 1.336 21.089 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.168 1.911 19.638 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.007 1.867 21.207 1.00 0.00 H new ATOM 328 N ARG A 20 5.301 7.576 19.426 1.00 0.00 N ATOM 329 CA ARG A 20 6.313 8.619 19.190 1.00 0.00 C ATOM 330 C ARG A 20 5.862 9.999 19.686 1.00 0.00 C ATOM 331 O ARG A 20 6.694 10.745 20.204 1.00 0.00 O ATOM 332 CB ARG A 20 6.773 8.645 17.682 1.00 0.00 C ATOM 333 CG ARG A 20 5.695 8.977 16.599 1.00 0.00 C ATOM 334 CD ARG A 20 5.431 10.493 16.384 1.00 0.00 C ATOM 335 NE ARG A 20 4.104 10.762 15.772 1.00 0.00 N ATOM 336 CZ ARG A 20 3.525 11.980 15.676 1.00 0.00 C ATOM 337 NH1 ARG A 20 4.183 13.078 16.006 1.00 0.00 N ATOM 338 NH2 ARG A 20 2.286 12.101 15.227 1.00 0.00 N ATOM 0 H ARG A 20 4.880 7.211 18.571 1.00 0.00 H new ATOM 0 HA ARG A 20 7.186 8.356 19.788 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.577 9.375 17.589 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.198 7.670 17.444 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.006 8.539 15.651 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.758 8.496 16.880 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.496 11.009 17.342 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.212 10.907 15.746 1.00 0.00 H new ATOM 0 HE ARG A 20 3.590 9.966 15.395 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.145 13.015 16.340 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.729 13.988 15.927 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.761 11.272 14.950 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.856 13.024 15.158 1.00 0.00 H new ATOM 352 N HIS A 21 4.561 10.377 19.529 1.00 0.00 N ATOM 353 CA HIS A 21 4.028 11.656 20.044 1.00 0.00 C ATOM 354 C HIS A 21 3.952 11.655 21.568 1.00 0.00 C ATOM 355 O HIS A 21 4.193 12.671 22.218 1.00 0.00 O ATOM 356 CB HIS A 21 2.612 11.900 19.463 1.00 0.00 C ATOM 357 CG HIS A 21 2.171 13.346 19.550 1.00 0.00 C ATOM 358 ND1 HIS A 21 1.232 13.803 20.451 1.00 0.00 N ATOM 359 CD2 HIS A 21 2.582 14.439 18.858 1.00 0.00 C ATOM 360 CE1 HIS A 21 1.085 15.107 20.309 1.00 0.00 C ATOM 361 NE2 HIS A 21 1.891 15.517 19.351 1.00 0.00 N ATOM 0 H HIS A 21 3.867 9.806 19.047 1.00 0.00 H new ATOM 0 HA HIS A 21 4.705 12.452 19.734 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.595 11.584 18.420 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.895 11.276 19.997 1.00 0.00 H new ATOM 0 HD2 HIS A 21 3.316 14.457 18.066 1.00 0.00 H new ATOM 0 HE1 HIS A 21 0.416 15.733 20.882 1.00 0.00 H new ATOM 0 HE2 HIS A 21 1.986 16.480 19.028 1.00 0.00 H new ATOM 370 N GLN A 22 3.565 10.493 22.103 1.00 0.00 N ATOM 371 CA GLN A 22 3.590 10.215 23.544 1.00 0.00 C ATOM 372 C GLN A 22 4.989 10.489 24.098 1.00 0.00 C ATOM 373 O GLN A 22 5.129 11.221 25.070 1.00 0.00 O ATOM 374 CB GLN A 22 3.139 8.758 23.773 1.00 0.00 C ATOM 375 CG GLN A 22 3.422 8.141 25.141 1.00 0.00 C ATOM 376 CD GLN A 22 2.848 6.725 25.245 1.00 0.00 C ATOM 377 OE1 GLN A 22 1.728 6.528 25.713 1.00 0.00 O ATOM 378 NE2 GLN A 22 3.575 5.739 24.725 1.00 0.00 N ATOM 0 H GLN A 22 3.222 9.712 21.544 1.00 0.00 H new ATOM 0 HA GLN A 22 2.902 10.870 24.079 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.065 8.706 23.596 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.617 8.135 23.017 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.498 8.113 25.313 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.991 8.768 25.921 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.501 5.934 24.344 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.206 4.788 24.707 1.00 0.00 H new ATOM 387 N GLN A 23 6.019 9.995 23.387 1.00 0.00 N ATOM 388 CA GLN A 23 7.416 10.179 23.780 1.00 0.00 C ATOM 389 C GLN A 23 7.906 11.593 23.469 1.00 0.00 C ATOM 390 O GLN A 23 8.925 11.985 24.001 1.00 0.00 O ATOM 391 CB GLN A 23 8.328 9.159 23.080 1.00 0.00 C ATOM 392 CG GLN A 23 8.074 7.715 23.490 1.00 0.00 C ATOM 393 CD GLN A 23 9.018 6.744 22.797 1.00 0.00 C ATOM 394 OE1 GLN A 23 8.723 6.238 21.723 1.00 0.00 O ATOM 395 NE2 GLN A 23 10.157 6.470 23.419 1.00 0.00 N ATOM 0 H GLN A 23 5.900 9.459 22.527 1.00 0.00 H new ATOM 0 HA GLN A 23 7.464 10.021 24.857 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.195 9.248 22.002 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.367 9.409 23.295 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.188 7.621 24.570 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.044 7.448 23.254 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.369 6.912 24.314 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.821 5.818 23.003 1.00 0.00 H new ATOM 404 N ALA A 24 7.245 12.299 22.534 1.00 0.00 N ATOM 405 CA ALA A 24 7.525 13.727 22.279 1.00 0.00 C ATOM 406 C ALA A 24 7.180 14.595 23.500 1.00 0.00 C ATOM 407 O ALA A 24 8.001 15.418 23.923 1.00 0.00 O ATOM 408 CB ALA A 24 6.779 14.219 21.032 1.00 0.00 C ATOM 0 H ALA A 24 6.513 11.906 21.942 1.00 0.00 H new ATOM 0 HA ALA A 24 8.595 13.824 22.096 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.002 15.273 20.867 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.098 13.640 20.165 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.706 14.094 21.177 1.00 0.00 H new ATOM 414 N ASP A 25 5.942 14.439 24.040 1.00 0.00 N ATOM 415 CA ASP A 25 5.580 15.046 25.346 1.00 0.00 C ATOM 416 C ASP A 25 6.532 14.606 26.463 1.00 0.00 C ATOM 417 O ASP A 25 6.744 15.337 27.433 1.00 0.00 O ATOM 418 CB ASP A 25 4.132 14.654 25.736 1.00 0.00 C ATOM 419 CG ASP A 25 3.074 15.245 24.799 1.00 0.00 C ATOM 420 OD1 ASP A 25 2.617 16.379 25.049 1.00 0.00 O ATOM 421 OD2 ASP A 25 2.691 14.587 23.806 1.00 0.00 O ATOM 0 H ASP A 25 5.191 13.908 23.599 1.00 0.00 H new ATOM 0 HA ASP A 25 5.659 16.127 25.231 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.044 13.568 25.734 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.934 14.988 26.754 1.00 0.00 H new ATOM 426 N LEU A 26 7.080 13.394 26.309 1.00 0.00 N ATOM 427 CA LEU A 26 8.066 12.869 27.260 1.00 0.00 C ATOM 428 C LEU A 26 9.478 13.346 26.903 1.00 0.00 C ATOM 429 O LEU A 26 9.778 13.690 25.758 1.00 0.00 O ATOM 430 CB LEU A 26 8.020 11.329 27.320 1.00 0.00 C ATOM 431 CG LEU A 26 6.642 10.711 27.696 1.00 0.00 C ATOM 432 CD1 LEU A 26 6.719 9.186 27.759 1.00 0.00 C ATOM 433 CD2 LEU A 26 6.073 11.307 28.996 1.00 0.00 C ATOM 0 H LEU A 26 6.859 12.762 25.539 1.00 0.00 H new ATOM 0 HA LEU A 26 7.809 13.255 28.246 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.321 10.936 26.349 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.760 10.989 28.045 1.00 0.00 H new ATOM 0 HG LEU A 26 5.944 10.974 26.901 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.741 8.783 28.024 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.021 8.796 26.787 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.450 8.889 28.511 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.111 10.845 29.217 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.765 11.117 29.817 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.940 12.382 28.876 1.00 0.00 H new ATOM 445 N SER A 27 10.313 13.427 27.921 1.00 0.00 N ATOM 446 CA SER A 27 11.737 13.696 27.754 1.00 0.00 C ATOM 447 C SER A 27 12.530 12.591 28.442 1.00 0.00 C ATOM 448 O SER A 27 12.008 11.876 29.290 1.00 0.00 O ATOM 449 CB SER A 27 12.095 15.076 28.350 1.00 0.00 C ATOM 450 OG SER A 27 13.463 15.399 28.142 1.00 0.00 O ATOM 0 H SER A 27 10.026 13.308 28.893 1.00 0.00 H new ATOM 0 HA SER A 27 11.987 13.714 26.693 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.467 15.843 27.896 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.879 15.078 29.418 1.00 0.00 H new ATOM 0 HG SER A 27 13.654 16.278 28.530 1.00 0.00 H new ATOM 456 N LEU A 28 13.794 12.460 28.061 1.00 0.00 N ATOM 457 CA LEU A 28 14.780 11.635 28.776 1.00 0.00 C ATOM 458 C LEU A 28 15.051 12.262 30.172 1.00 0.00 C ATOM 459 O LEU A 28 15.390 11.566 31.133 1.00 0.00 O ATOM 460 CB LEU A 28 16.056 11.545 27.881 1.00 0.00 C ATOM 461 CG LEU A 28 17.262 10.664 28.372 1.00 0.00 C ATOM 462 CD1 LEU A 28 18.067 10.109 27.173 1.00 0.00 C ATOM 463 CD2 LEU A 28 18.205 11.439 29.320 1.00 0.00 C ATOM 0 H LEU A 28 14.176 12.926 27.238 1.00 0.00 H new ATOM 0 HA LEU A 28 14.421 10.622 28.956 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.749 11.170 26.905 1.00 0.00 H new ATOM 0 HB3 LEU A 28 16.427 12.559 27.731 1.00 0.00 H new ATOM 0 HG LEU A 28 16.833 9.833 28.932 1.00 0.00 H new ATOM 0 HD11 LEU A 28 18.895 9.503 27.540 1.00 0.00 H new ATOM 0 HD12 LEU A 28 17.416 9.495 26.551 1.00 0.00 H new ATOM 0 HD13 LEU A 28 18.457 10.938 26.582 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.022 10.789 29.632 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.610 12.307 28.800 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.648 11.769 30.197 1.00 0.00 H new ATOM 475 N VAL A 29 14.856 13.595 30.249 1.00 0.00 N ATOM 476 CA VAL A 29 15.118 14.414 31.451 1.00 0.00 C ATOM 477 C VAL A 29 13.992 14.291 32.511 1.00 0.00 C ATOM 478 O VAL A 29 14.280 14.085 33.698 1.00 0.00 O ATOM 479 CB VAL A 29 15.322 15.926 31.040 1.00 0.00 C ATOM 480 CG1 VAL A 29 15.610 16.840 32.262 1.00 0.00 C ATOM 481 CG2 VAL A 29 16.443 16.049 29.975 1.00 0.00 C ATOM 0 H VAL A 29 14.506 14.142 29.463 1.00 0.00 H new ATOM 0 HA VAL A 29 16.030 14.033 31.911 1.00 0.00 H new ATOM 0 HB VAL A 29 14.384 16.274 30.606 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.742 17.868 31.924 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.773 16.792 32.958 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.518 16.503 32.763 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.572 17.096 29.702 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.377 15.663 30.383 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.169 15.474 29.090 1.00 0.00 H new ATOM 491 N GLU A 30 12.714 14.397 32.076 1.00 0.00 N ATOM 492 CA GLU A 30 11.555 14.436 33.029 1.00 0.00 C ATOM 493 C GLU A 30 10.701 13.161 32.972 1.00 0.00 C ATOM 494 O GLU A 30 9.767 13.000 33.767 1.00 0.00 O ATOM 495 CB GLU A 30 10.694 15.724 32.812 1.00 0.00 C ATOM 496 CG GLU A 30 10.047 15.904 31.414 1.00 0.00 C ATOM 497 CD GLU A 30 8.739 15.120 31.183 1.00 0.00 C ATOM 498 OE1 GLU A 30 7.781 15.288 31.967 1.00 0.00 O ATOM 499 OE2 GLU A 30 8.650 14.357 30.203 1.00 0.00 O ATOM 0 H GLU A 30 12.451 14.457 31.092 1.00 0.00 H new ATOM 0 HA GLU A 30 11.970 14.477 34.036 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.899 15.731 33.558 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.324 16.591 33.009 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.847 16.964 31.259 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.770 15.602 30.656 1.00 0.00 H new ATOM 506 N ALA A 31 11.027 12.255 32.045 1.00 0.00 N ATOM 507 CA ALA A 31 10.332 10.970 31.910 1.00 0.00 C ATOM 508 C ALA A 31 11.349 9.889 31.549 1.00 0.00 C ATOM 509 O ALA A 31 11.225 9.233 30.525 1.00 0.00 O ATOM 510 CB ALA A 31 9.211 11.089 30.867 1.00 0.00 C ATOM 0 H ALA A 31 11.778 12.391 31.368 1.00 0.00 H new ATOM 0 HA ALA A 31 9.863 10.689 32.853 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.699 10.131 30.772 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.499 11.851 31.184 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.638 11.369 29.904 1.00 0.00 H new ATOM 516 N ALA A 32 12.367 9.739 32.417 1.00 0.00 N ATOM 517 CA ALA A 32 13.536 8.872 32.179 1.00 0.00 C ATOM 518 C ALA A 32 13.130 7.412 31.882 1.00 0.00 C ATOM 519 O ALA A 32 13.445 6.886 30.809 1.00 0.00 O ATOM 520 CB ALA A 32 14.493 8.943 33.380 1.00 0.00 C ATOM 0 H ALA A 32 12.401 10.223 33.314 1.00 0.00 H new ATOM 0 HA ALA A 32 14.049 9.241 31.291 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.354 8.300 33.197 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.830 9.971 33.517 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.975 8.608 34.279 1.00 0.00 H new ATOM 526 N ASP A 33 12.390 6.786 32.819 1.00 0.00 N ATOM 527 CA ASP A 33 11.960 5.378 32.708 1.00 0.00 C ATOM 528 C ASP A 33 10.991 5.204 31.534 1.00 0.00 C ATOM 529 O ASP A 33 11.223 4.378 30.668 1.00 0.00 O ATOM 530 CB ASP A 33 11.304 4.871 34.018 1.00 0.00 C ATOM 531 CG ASP A 33 10.925 3.373 33.942 1.00 0.00 C ATOM 532 OD1 ASP A 33 11.833 2.519 34.053 1.00 0.00 O ATOM 533 OD2 ASP A 33 9.731 3.039 33.758 1.00 0.00 O ATOM 0 H ASP A 33 12.074 7.243 33.674 1.00 0.00 H new ATOM 0 HA ASP A 33 12.853 4.779 32.528 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.990 5.028 34.850 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.411 5.460 34.226 1.00 0.00 H new ATOM 538 N LYS A 34 9.894 5.990 31.556 1.00 0.00 N ATOM 539 CA LYS A 34 8.901 6.063 30.454 1.00 0.00 C ATOM 540 C LYS A 34 9.550 6.134 29.054 1.00 0.00 C ATOM 541 O LYS A 34 9.210 5.351 28.177 1.00 0.00 O ATOM 542 CB LYS A 34 7.956 7.290 30.682 1.00 0.00 C ATOM 543 CG LYS A 34 6.585 6.948 31.303 1.00 0.00 C ATOM 544 CD LYS A 34 5.716 6.066 30.374 1.00 0.00 C ATOM 545 CE LYS A 34 4.294 5.874 30.910 1.00 0.00 C ATOM 546 NZ LYS A 34 3.559 7.162 31.003 1.00 0.00 N ATOM 0 H LYS A 34 9.667 6.598 32.343 1.00 0.00 H new ATOM 0 HA LYS A 34 8.326 5.137 30.476 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.463 8.005 31.329 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.792 7.786 29.725 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.738 6.431 32.250 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.050 7.871 31.526 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.670 6.521 29.385 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.191 5.092 30.255 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.749 5.191 30.258 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.337 5.408 31.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.545 6.974 31.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.920 7.710 31.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.697 7.704 30.126 1.00 0.00 H new ATOM 560 N TYR A 35 10.520 7.033 28.896 1.00 0.00 N ATOM 561 CA TYR A 35 11.183 7.264 27.600 1.00 0.00 C ATOM 562 C TYR A 35 12.017 6.027 27.227 1.00 0.00 C ATOM 563 O TYR A 35 11.945 5.563 26.100 1.00 0.00 O ATOM 564 CB TYR A 35 12.064 8.535 27.642 1.00 0.00 C ATOM 565 CG TYR A 35 12.767 8.870 26.311 1.00 0.00 C ATOM 566 CD1 TYR A 35 12.048 9.394 25.230 1.00 0.00 C ATOM 567 CD2 TYR A 35 14.138 8.651 26.132 1.00 0.00 C ATOM 568 CE1 TYR A 35 12.668 9.671 24.027 1.00 0.00 C ATOM 569 CE2 TYR A 35 14.760 8.936 24.933 1.00 0.00 C ATOM 570 CZ TYR A 35 14.022 9.447 23.887 1.00 0.00 C ATOM 571 OH TYR A 35 14.633 9.705 22.683 1.00 0.00 O ATOM 0 H TYR A 35 10.871 7.621 29.652 1.00 0.00 H new ATOM 0 HA TYR A 35 10.422 7.424 26.837 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.444 9.382 27.934 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.821 8.412 28.417 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.991 9.585 25.338 1.00 0.00 H new ATOM 0 HD2 TYR A 35 14.721 8.251 26.948 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.095 10.061 23.199 1.00 0.00 H new ATOM 0 HE2 TYR A 35 15.819 8.760 24.815 1.00 0.00 H new ATOM 0 HH TYR A 35 15.588 9.496 22.749 1.00 0.00 H new ATOM 581 N ALA A 36 12.743 5.492 28.228 1.00 0.00 N ATOM 582 CA ALA A 36 13.632 4.324 28.056 1.00 0.00 C ATOM 583 C ALA A 36 12.833 3.072 27.638 1.00 0.00 C ATOM 584 O ALA A 36 13.216 2.378 26.688 1.00 0.00 O ATOM 585 CB ALA A 36 14.448 4.076 29.336 1.00 0.00 C ATOM 0 H ALA A 36 12.730 5.857 29.180 1.00 0.00 H new ATOM 0 HA ALA A 36 14.333 4.541 27.250 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.097 3.212 29.192 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.055 4.954 29.556 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.770 3.886 30.168 1.00 0.00 H new ATOM 591 N GLU A 37 11.700 2.811 28.324 1.00 0.00 N ATOM 592 CA GLU A 37 10.742 1.754 28.014 1.00 0.00 C ATOM 593 C GLU A 37 10.187 1.916 26.609 1.00 0.00 C ATOM 594 O GLU A 37 10.433 1.097 25.780 1.00 0.00 O ATOM 595 CB GLU A 37 9.575 1.776 29.046 1.00 0.00 C ATOM 596 CG GLU A 37 9.942 1.367 30.484 1.00 0.00 C ATOM 597 CD GLU A 37 10.282 -0.125 30.630 1.00 0.00 C ATOM 598 OE1 GLU A 37 9.493 -0.975 30.159 1.00 0.00 O ATOM 599 OE2 GLU A 37 11.327 -0.466 31.215 1.00 0.00 O ATOM 0 H GLU A 37 11.426 3.359 29.140 1.00 0.00 H new ATOM 0 HA GLU A 37 11.261 0.797 28.071 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.156 2.782 29.071 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.788 1.112 28.690 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.795 1.960 30.815 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.110 1.608 31.145 1.00 0.00 H new ATOM 606 N LEU A 38 9.402 2.969 26.413 1.00 0.00 N ATOM 607 CA LEU A 38 8.741 3.258 25.123 1.00 0.00 C ATOM 608 C LEU A 38 9.716 3.258 23.903 1.00 0.00 C ATOM 609 O LEU A 38 9.288 2.991 22.787 1.00 0.00 O ATOM 610 CB LEU A 38 7.937 4.562 25.242 1.00 0.00 C ATOM 611 CG LEU A 38 6.867 4.583 26.382 1.00 0.00 C ATOM 612 CD1 LEU A 38 6.219 5.969 26.512 1.00 0.00 C ATOM 613 CD2 LEU A 38 5.805 3.479 26.201 1.00 0.00 C ATOM 0 H LEU A 38 9.198 3.655 27.140 1.00 0.00 H new ATOM 0 HA LEU A 38 8.054 2.439 24.911 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.633 5.385 25.403 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.436 4.749 24.292 1.00 0.00 H new ATOM 0 HG LEU A 38 7.389 4.371 27.315 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.480 5.951 27.313 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.986 6.709 26.742 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.731 6.232 25.573 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.083 3.532 27.016 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.291 3.621 25.250 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.290 2.503 26.209 1.00 0.00 H new ATOM 625 N GLU A 39 11.012 3.590 24.131 1.00 0.00 N ATOM 626 CA GLU A 39 12.107 3.342 23.150 1.00 0.00 C ATOM 627 C GLU A 39 12.335 1.828 22.899 1.00 0.00 C ATOM 628 O GLU A 39 12.547 1.424 21.768 1.00 0.00 O ATOM 629 CB GLU A 39 13.438 4.011 23.614 1.00 0.00 C ATOM 630 CG GLU A 39 13.513 5.542 23.412 1.00 0.00 C ATOM 631 CD GLU A 39 13.331 5.981 21.946 1.00 0.00 C ATOM 632 OE1 GLU A 39 14.149 5.588 21.092 1.00 0.00 O ATOM 633 OE2 GLU A 39 12.372 6.723 21.635 1.00 0.00 O ATOM 0 H GLU A 39 11.329 4.034 24.993 1.00 0.00 H new ATOM 0 HA GLU A 39 11.792 3.793 22.209 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.586 3.793 24.672 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.265 3.549 23.075 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.746 6.019 24.023 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.477 5.901 23.773 1.00 0.00 H new ATOM 640 N LYS A 40 12.357 1.041 23.985 1.00 0.00 N ATOM 641 CA LYS A 40 12.452 -0.451 23.903 1.00 0.00 C ATOM 642 C LYS A 40 11.210 -1.057 23.189 1.00 0.00 C ATOM 643 O LYS A 40 11.350 -1.917 22.330 1.00 0.00 O ATOM 644 CB LYS A 40 12.628 -1.117 25.293 1.00 0.00 C ATOM 645 CG LYS A 40 13.887 -0.691 26.071 1.00 0.00 C ATOM 646 CD LYS A 40 14.113 -1.499 27.377 1.00 0.00 C ATOM 647 CE LYS A 40 13.075 -1.214 28.484 1.00 0.00 C ATOM 648 NZ LYS A 40 11.720 -1.785 28.219 1.00 0.00 N ATOM 0 H LYS A 40 12.311 1.400 24.939 1.00 0.00 H new ATOM 0 HA LYS A 40 13.346 -0.663 23.316 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.752 -0.890 25.900 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.652 -2.198 25.159 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.759 -0.806 25.427 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.811 0.368 26.317 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.093 -2.563 27.141 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.108 -1.276 27.761 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.447 -1.615 29.427 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.983 -0.135 28.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.284 -2.076 29.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.124 -1.066 27.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.808 -2.611 27.594 1.00 0.00 H new ATOM 662 N GLU A 41 10.010 -0.637 23.633 1.00 0.00 N ATOM 663 CA GLU A 41 8.716 -1.013 23.013 1.00 0.00 C ATOM 664 C GLU A 41 8.673 -0.656 21.508 1.00 0.00 C ATOM 665 O GLU A 41 8.134 -1.401 20.684 1.00 0.00 O ATOM 666 CB GLU A 41 7.546 -0.293 23.735 1.00 0.00 C ATOM 667 CG GLU A 41 7.555 -0.306 25.288 1.00 0.00 C ATOM 668 CD GLU A 41 8.004 -1.630 25.932 1.00 0.00 C ATOM 669 OE1 GLU A 41 7.214 -2.593 25.936 1.00 0.00 O ATOM 670 OE2 GLU A 41 9.141 -1.694 26.472 1.00 0.00 O ATOM 0 H GLU A 41 9.906 -0.021 24.439 1.00 0.00 H new ATOM 0 HA GLU A 41 8.613 -2.093 23.115 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.534 0.746 23.406 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.613 -0.744 23.399 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.212 0.490 25.638 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.552 -0.070 25.643 1.00 0.00 H new ATOM 677 N LYS A 42 9.237 0.519 21.211 1.00 0.00 N ATOM 678 CA LYS A 42 9.433 0.998 19.829 1.00 0.00 C ATOM 679 C LYS A 42 10.382 0.018 19.098 1.00 0.00 C ATOM 680 O LYS A 42 10.043 -0.508 18.058 1.00 0.00 O ATOM 681 CB LYS A 42 10.025 2.434 19.813 1.00 0.00 C ATOM 682 CG LYS A 42 10.354 2.987 18.405 1.00 0.00 C ATOM 683 CD LYS A 42 11.043 4.367 18.452 1.00 0.00 C ATOM 684 CE LYS A 42 10.151 5.467 19.055 1.00 0.00 C ATOM 685 NZ LYS A 42 10.855 6.774 19.147 1.00 0.00 N ATOM 0 H LYS A 42 9.573 1.170 21.920 1.00 0.00 H new ATOM 0 HA LYS A 42 8.469 1.035 19.321 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.318 3.108 20.296 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.935 2.443 20.413 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.000 2.281 17.884 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.434 3.065 17.826 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.959 4.289 19.037 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.333 4.656 17.442 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.255 5.581 18.445 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.823 5.162 20.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.156 7.544 19.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.419 6.804 20.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.482 6.889 18.325 1.00 0.00 H new ATOM 699 N ALA A 43 11.548 -0.222 19.729 1.00 0.00 N ATOM 700 CA ALA A 43 12.643 -1.084 19.209 1.00 0.00 C ATOM 701 C ALA A 43 12.185 -2.526 18.879 1.00 0.00 C ATOM 702 O ALA A 43 12.657 -3.121 17.899 1.00 0.00 O ATOM 703 CB ALA A 43 13.828 -1.102 20.192 1.00 0.00 C ATOM 0 H ALA A 43 11.766 0.186 20.638 1.00 0.00 H new ATOM 0 HA ALA A 43 12.962 -0.642 18.265 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.620 -1.737 19.796 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.207 -0.089 20.323 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.497 -1.493 21.154 1.00 0.00 H new ATOM 709 N THR A 44 11.261 -3.079 19.685 1.00 0.00 N ATOM 710 CA THR A 44 10.606 -4.381 19.503 1.00 0.00 C ATOM 711 C THR A 44 9.590 -4.318 18.365 1.00 0.00 C ATOM 712 O THR A 44 9.552 -5.217 17.523 1.00 0.00 O ATOM 713 CB THR A 44 9.899 -4.821 20.833 1.00 0.00 C ATOM 714 OG1 THR A 44 10.854 -4.823 21.904 1.00 0.00 O ATOM 715 CG2 THR A 44 9.235 -6.213 20.732 1.00 0.00 C ATOM 0 H THR A 44 10.936 -2.601 20.525 1.00 0.00 H new ATOM 0 HA THR A 44 11.368 -5.117 19.246 1.00 0.00 H new ATOM 0 HB THR A 44 9.104 -4.101 21.026 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.082 -3.900 22.140 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.763 -6.461 21.683 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.481 -6.200 19.945 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.992 -6.961 20.497 1.00 0.00 H new ATOM 723 N LEU A 45 8.728 -3.274 18.417 1.00 0.00 N ATOM 724 CA LEU A 45 7.813 -2.995 17.286 1.00 0.00 C ATOM 725 C LEU A 45 8.577 -2.992 15.960 1.00 0.00 C ATOM 726 O LEU A 45 8.153 -3.661 15.038 1.00 0.00 O ATOM 727 CB LEU A 45 6.987 -1.681 17.439 1.00 0.00 C ATOM 728 CG LEU A 45 5.640 -1.786 18.235 1.00 0.00 C ATOM 729 CD1 LEU A 45 4.901 -0.437 18.256 1.00 0.00 C ATOM 730 CD2 LEU A 45 4.735 -2.899 17.655 1.00 0.00 C ATOM 0 H LEU A 45 8.648 -2.630 19.204 1.00 0.00 H new ATOM 0 HA LEU A 45 7.086 -3.807 17.292 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.616 -0.939 17.930 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.765 -1.301 16.442 1.00 0.00 H new ATOM 0 HG LEU A 45 5.884 -2.052 19.263 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.971 -0.540 18.815 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.529 0.315 18.733 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.678 -0.128 17.235 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.808 -2.949 18.226 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.507 -2.676 16.613 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.251 -3.857 17.717 1.00 0.00 H new ATOM 742 N GLU A 46 9.743 -2.322 15.910 1.00 0.00 N ATOM 743 CA GLU A 46 10.617 -2.284 14.734 1.00 0.00 C ATOM 744 C GLU A 46 11.051 -3.711 14.347 1.00 0.00 C ATOM 745 O GLU A 46 10.676 -4.183 13.274 1.00 0.00 O ATOM 746 CB GLU A 46 11.862 -1.385 14.983 1.00 0.00 C ATOM 747 CG GLU A 46 11.556 0.086 15.356 1.00 0.00 C ATOM 748 CD GLU A 46 12.832 0.943 15.501 1.00 0.00 C ATOM 749 OE1 GLU A 46 13.387 1.376 14.468 1.00 0.00 O ATOM 750 OE2 GLU A 46 13.292 1.182 16.643 1.00 0.00 O ATOM 0 H GLU A 46 10.105 -1.786 16.699 1.00 0.00 H new ATOM 0 HA GLU A 46 10.053 -1.850 13.908 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.455 -1.829 15.783 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.480 -1.393 14.085 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.914 0.524 14.592 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.999 0.110 16.292 1.00 0.00 H new ATOM 757 N ALA A 47 11.894 -4.359 15.203 1.00 0.00 N ATOM 758 CA ALA A 47 12.315 -5.781 15.120 1.00 0.00 C ATOM 759 C ALA A 47 11.260 -6.708 14.490 1.00 0.00 C ATOM 760 O ALA A 47 11.537 -7.352 13.478 1.00 0.00 O ATOM 761 CB ALA A 47 12.718 -6.285 16.517 1.00 0.00 C ATOM 0 H ALA A 47 12.313 -3.881 16.001 1.00 0.00 H new ATOM 0 HA ALA A 47 13.172 -5.814 14.448 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.026 -7.329 16.452 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.545 -5.685 16.896 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.868 -6.199 17.194 1.00 0.00 H new ATOM 767 N GLU A 48 10.042 -6.708 15.055 1.00 0.00 N ATOM 768 CA GLU A 48 8.859 -7.460 14.621 1.00 0.00 C ATOM 769 C GLU A 48 8.380 -7.020 13.226 1.00 0.00 C ATOM 770 O GLU A 48 8.471 -7.778 12.292 1.00 0.00 O ATOM 771 CB GLU A 48 7.729 -7.224 15.677 1.00 0.00 C ATOM 772 CG GLU A 48 6.353 -7.833 15.342 1.00 0.00 C ATOM 773 CD GLU A 48 6.271 -9.343 15.635 1.00 0.00 C ATOM 774 OE1 GLU A 48 6.665 -10.167 14.780 1.00 0.00 O ATOM 775 OE2 GLU A 48 5.839 -9.721 16.746 1.00 0.00 O ATOM 0 H GLU A 48 9.847 -6.144 15.882 1.00 0.00 H new ATOM 0 HA GLU A 48 9.112 -8.518 14.549 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.061 -7.630 16.632 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.605 -6.150 15.813 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.584 -7.316 15.916 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.134 -7.661 14.288 1.00 0.00 H new ATOM 782 N ILE A 49 7.839 -5.787 13.175 1.00 0.00 N ATOM 783 CA ILE A 49 7.174 -5.281 11.933 1.00 0.00 C ATOM 784 C ILE A 49 8.090 -5.446 10.683 1.00 0.00 C ATOM 785 O ILE A 49 7.615 -5.881 9.636 1.00 0.00 O ATOM 786 CB ILE A 49 6.599 -3.805 12.042 1.00 0.00 C ATOM 787 CG1 ILE A 49 7.748 -2.751 12.168 1.00 0.00 C ATOM 788 CG2 ILE A 49 5.574 -3.692 13.210 1.00 0.00 C ATOM 789 CD1 ILE A 49 7.304 -1.317 12.396 1.00 0.00 C ATOM 0 H ILE A 49 7.842 -5.128 13.953 1.00 0.00 H new ATOM 0 HA ILE A 49 6.297 -5.917 11.807 1.00 0.00 H new ATOM 0 HB ILE A 49 6.066 -3.582 11.117 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.398 -3.046 12.992 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.349 -2.786 11.259 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.195 -2.672 13.264 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.746 -4.378 13.035 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.064 -3.947 14.150 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.180 -0.672 12.468 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.682 -0.992 11.562 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.731 -1.256 13.321 1.00 0.00 H new ATOM 801 N ALA A 50 9.409 -5.166 10.822 1.00 0.00 N ATOM 802 CA ALA A 50 10.428 -5.398 9.777 1.00 0.00 C ATOM 803 C ALA A 50 10.717 -6.895 9.515 1.00 0.00 C ATOM 804 O ALA A 50 11.000 -7.273 8.381 1.00 0.00 O ATOM 805 CB ALA A 50 11.723 -4.664 10.160 1.00 0.00 C ATOM 0 H ALA A 50 9.797 -4.767 11.677 1.00 0.00 H new ATOM 0 HA ALA A 50 10.025 -5.003 8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.478 -4.833 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.524 -3.596 10.245 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.087 -5.043 11.115 1.00 0.00 H new ATOM 811 N ARG A 51 10.712 -7.732 10.574 1.00 0.00 N ATOM 812 CA ARG A 51 10.834 -9.209 10.465 1.00 0.00 C ATOM 813 C ARG A 51 9.673 -9.762 9.603 1.00 0.00 C ATOM 814 O ARG A 51 9.874 -10.516 8.648 1.00 0.00 O ATOM 815 CB ARG A 51 10.838 -9.892 11.861 1.00 0.00 C ATOM 816 CG ARG A 51 11.375 -11.339 11.850 1.00 0.00 C ATOM 817 CD ARG A 51 12.894 -11.386 11.652 1.00 0.00 C ATOM 818 NE ARG A 51 13.374 -12.742 11.360 1.00 0.00 N ATOM 819 CZ ARG A 51 14.573 -13.238 11.684 1.00 0.00 C ATOM 820 NH1 ARG A 51 15.407 -12.571 12.473 1.00 0.00 N ATOM 821 NH2 ARG A 51 14.922 -14.428 11.228 1.00 0.00 N ATOM 0 H ARG A 51 10.623 -7.404 11.536 1.00 0.00 H new ATOM 0 HA ARG A 51 11.788 -9.436 9.988 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.443 -9.296 12.544 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.822 -9.895 12.255 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.116 -11.829 12.789 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.888 -11.900 11.053 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.173 -10.720 10.835 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.387 -11.013 12.550 1.00 0.00 H new ATOM 0 HE ARG A 51 12.734 -13.363 10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.138 -11.660 12.846 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.317 -12.969 12.707 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.280 -14.956 10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.833 -14.819 11.467 1.00 0.00 H new ATOM 835 N LEU A 52 8.461 -9.346 9.964 1.00 0.00 N ATOM 836 CA LEU A 52 7.242 -9.597 9.196 1.00 0.00 C ATOM 837 C LEU A 52 7.364 -9.037 7.773 1.00 0.00 C ATOM 838 O LEU A 52 6.837 -9.634 6.841 1.00 0.00 O ATOM 839 CB LEU A 52 6.004 -8.994 9.915 1.00 0.00 C ATOM 840 CG LEU A 52 5.774 -9.469 11.389 1.00 0.00 C ATOM 841 CD1 LEU A 52 4.438 -8.942 11.961 1.00 0.00 C ATOM 842 CD2 LEU A 52 5.883 -11.009 11.520 1.00 0.00 C ATOM 0 H LEU A 52 8.295 -8.813 10.818 1.00 0.00 H new ATOM 0 HA LEU A 52 7.106 -10.676 9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.100 -7.908 9.914 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.115 -9.236 9.332 1.00 0.00 H new ATOM 0 HG LEU A 52 6.574 -9.037 11.991 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.317 -9.294 12.985 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.442 -7.852 11.950 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.612 -9.308 11.351 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.717 -11.299 12.558 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.132 -11.482 10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.876 -11.331 11.208 1.00 0.00 H new ATOM 854 N ARG A 53 8.093 -7.906 7.621 1.00 0.00 N ATOM 855 CA ARG A 53 8.356 -7.251 6.327 1.00 0.00 C ATOM 856 C ARG A 53 9.618 -7.793 5.612 1.00 0.00 C ATOM 857 O ARG A 53 9.931 -7.306 4.538 1.00 0.00 O ATOM 858 CB ARG A 53 8.456 -5.711 6.487 1.00 0.00 C ATOM 859 CG ARG A 53 7.116 -4.956 6.696 1.00 0.00 C ATOM 860 CD ARG A 53 7.348 -3.442 6.887 1.00 0.00 C ATOM 861 NE ARG A 53 8.058 -2.836 5.736 1.00 0.00 N ATOM 862 CZ ARG A 53 9.360 -2.494 5.700 1.00 0.00 C ATOM 863 NH1 ARG A 53 10.137 -2.637 6.766 1.00 0.00 N ATOM 864 NH2 ARG A 53 9.879 -2.017 4.581 1.00 0.00 N ATOM 0 H ARG A 53 8.520 -7.419 8.409 1.00 0.00 H new ATOM 0 HA ARG A 53 7.502 -7.492 5.694 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.106 -5.496 7.335 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.943 -5.305 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.466 -5.121 5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.601 -5.360 7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.388 -2.943 7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.926 -3.276 7.796 1.00 0.00 H new ATOM 0 HE ARG A 53 7.510 -2.662 4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.750 -3.012 7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.121 -2.372 6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.294 -1.910 3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.864 -1.756 4.547 1.00 0.00 H new ATOM 878 N GLU A 54 10.365 -8.756 6.202 1.00 0.00 N ATOM 879 CA GLU A 54 11.378 -9.544 5.435 1.00 0.00 C ATOM 880 C GLU A 54 10.720 -10.839 4.926 1.00 0.00 C ATOM 881 O GLU A 54 11.106 -11.382 3.901 1.00 0.00 O ATOM 882 CB GLU A 54 12.676 -9.837 6.241 1.00 0.00 C ATOM 883 CG GLU A 54 12.603 -10.971 7.282 1.00 0.00 C ATOM 884 CD GLU A 54 13.894 -11.144 8.099 1.00 0.00 C ATOM 885 OE1 GLU A 54 14.506 -10.123 8.484 1.00 0.00 O ATOM 886 OE2 GLU A 54 14.307 -12.294 8.356 1.00 0.00 O ATOM 0 H GLU A 54 10.293 -9.008 7.188 1.00 0.00 H new ATOM 0 HA GLU A 54 11.705 -8.938 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.470 -10.076 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.971 -8.922 6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.776 -10.774 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.379 -11.907 6.771 1.00 0.00 H new ATOM 893 N VAL A 55 9.656 -11.256 5.635 1.00 0.00 N ATOM 894 CA VAL A 55 8.727 -12.308 5.163 1.00 0.00 C ATOM 895 C VAL A 55 7.737 -11.649 4.160 1.00 0.00 C ATOM 896 O VAL A 55 7.190 -12.298 3.271 1.00 0.00 O ATOM 897 CB VAL A 55 7.971 -12.988 6.370 1.00 0.00 C ATOM 898 CG1 VAL A 55 7.121 -14.197 5.913 1.00 0.00 C ATOM 899 CG2 VAL A 55 8.972 -13.407 7.479 1.00 0.00 C ATOM 0 H VAL A 55 9.413 -10.876 6.550 1.00 0.00 H new ATOM 0 HA VAL A 55 9.280 -13.105 4.666 1.00 0.00 H new ATOM 0 HB VAL A 55 7.285 -12.248 6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.618 -14.635 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.377 -13.866 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.768 -14.944 5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.430 -13.874 8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.692 -14.116 7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.499 -12.526 7.845 1.00 0.00 H new ATOM 909 N HIS A 56 7.590 -10.313 4.320 1.00 0.00 N ATOM 910 CA HIS A 56 6.843 -9.446 3.377 1.00 0.00 C ATOM 911 C HIS A 56 7.829 -8.636 2.505 1.00 0.00 C ATOM 912 O HIS A 56 7.474 -7.578 2.002 1.00 0.00 O ATOM 913 CB HIS A 56 5.827 -8.497 4.104 1.00 0.00 C ATOM 914 CG HIS A 56 4.409 -8.999 4.171 1.00 0.00 C ATOM 915 ND1 HIS A 56 3.422 -8.580 3.299 1.00 0.00 N ATOM 916 CD2 HIS A 56 3.804 -9.852 5.031 1.00 0.00 C ATOM 917 CE1 HIS A 56 2.278 -9.144 3.629 1.00 0.00 C ATOM 918 NE2 HIS A 56 2.484 -9.921 4.672 1.00 0.00 N ATOM 0 H HIS A 56 7.987 -9.804 5.109 1.00 0.00 H new ATOM 0 HA HIS A 56 6.251 -10.099 2.736 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.181 -8.323 5.120 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.829 -7.533 3.596 1.00 0.00 H new ATOM 0 HD1 HIS A 56 3.558 -7.935 2.521 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.274 -10.380 5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.332 -8.995 3.129 1.00 0.00 H new ATOM 927 N SER A 57 9.076 -9.127 2.348 1.00 0.00 N ATOM 928 CA SER A 57 10.029 -8.604 1.333 1.00 0.00 C ATOM 929 C SER A 57 10.281 -9.704 0.312 1.00 0.00 C ATOM 930 O SER A 57 10.245 -9.472 -0.898 1.00 0.00 O ATOM 931 CB SER A 57 11.363 -8.153 1.973 1.00 0.00 C ATOM 932 OG SER A 57 12.249 -7.572 1.026 1.00 0.00 O ATOM 0 H SER A 57 9.453 -9.889 2.912 1.00 0.00 H new ATOM 0 HA SER A 57 9.595 -7.726 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.158 -7.432 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.847 -9.011 2.441 1.00 0.00 H new ATOM 0 HG SER A 57 13.077 -7.301 1.476 1.00 0.00 H new ATOM 938 N GLN A 58 10.539 -10.914 0.835 1.00 0.00 N ATOM 939 CA GLN A 58 10.602 -12.145 0.038 1.00 0.00 C ATOM 940 C GLN A 58 9.214 -12.414 -0.579 1.00 0.00 C ATOM 941 O GLN A 58 9.103 -12.947 -1.685 1.00 0.00 O ATOM 942 CB GLN A 58 11.069 -13.318 0.943 1.00 0.00 C ATOM 943 CG GLN A 58 12.421 -13.043 1.648 1.00 0.00 C ATOM 944 CD GLN A 58 12.767 -14.019 2.774 1.00 0.00 C ATOM 945 OE1 GLN A 58 12.430 -15.200 2.723 1.00 0.00 O ATOM 946 NE2 GLN A 58 13.411 -13.511 3.821 1.00 0.00 N ATOM 0 H GLN A 58 10.710 -11.064 1.829 1.00 0.00 H new ATOM 0 HA GLN A 58 11.321 -12.043 -0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.306 -13.513 1.697 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.158 -14.221 0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.216 -13.073 0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.404 -12.032 2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.675 -12.526 3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.641 -14.107 4.616 1.00 0.00 H new ATOM 955 N LYS A 59 8.155 -12.024 0.171 1.00 0.00 N ATOM 956 CA LYS A 59 6.759 -12.026 -0.296 1.00 0.00 C ATOM 957 C LYS A 59 6.156 -10.623 -0.087 1.00 0.00 C ATOM 958 O LYS A 59 5.388 -10.438 0.856 1.00 0.00 O ATOM 959 CB LYS A 59 5.904 -13.129 0.440 1.00 0.00 C ATOM 960 CG LYS A 59 5.941 -14.563 -0.160 1.00 0.00 C ATOM 961 CD LYS A 59 7.298 -15.294 -0.019 1.00 0.00 C ATOM 962 CE LYS A 59 7.749 -15.464 1.443 1.00 0.00 C ATOM 963 NZ LYS A 59 9.007 -16.246 1.544 1.00 0.00 N ATOM 0 H LYS A 59 8.255 -11.695 1.131 1.00 0.00 H new ATOM 0 HA LYS A 59 6.741 -12.271 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.241 -13.185 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.866 -12.796 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.170 -15.163 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.684 -14.505 -1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.224 -16.276 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.061 -14.738 -0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.894 -14.483 1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.964 -15.964 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.279 -16.339 2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.862 -17.191 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.763 -15.756 1.024 1.00 0.00 H new ATOM 977 N LEU A 60 6.526 -9.637 -0.961 1.00 0.00 N ATOM 978 CA LEU A 60 6.120 -8.194 -0.813 1.00 0.00 C ATOM 979 C LEU A 60 4.604 -8.081 -0.550 1.00 0.00 C ATOM 980 O LEU A 60 4.175 -7.663 0.534 1.00 0.00 O ATOM 981 CB LEU A 60 6.556 -7.326 -2.066 1.00 0.00 C ATOM 982 CG LEU A 60 6.484 -5.733 -1.926 1.00 0.00 C ATOM 983 CD1 LEU A 60 7.381 -5.003 -2.967 1.00 0.00 C ATOM 984 CD2 LEU A 60 5.038 -5.174 -2.018 1.00 0.00 C ATOM 0 H LEU A 60 7.107 -9.813 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 60 6.647 -7.788 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.581 -7.595 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.931 -7.618 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 60 6.864 -5.529 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.296 -3.925 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.419 -5.305 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.058 -5.266 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.060 -4.089 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.606 -5.439 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.431 -5.601 -1.220 1.00 0.00 H new ATOM 996 N SER A 61 3.827 -8.500 -1.546 1.00 0.00 N ATOM 997 CA SER A 61 2.356 -8.536 -1.495 1.00 0.00 C ATOM 998 C SER A 61 1.889 -9.596 -2.507 1.00 0.00 C ATOM 999 O SER A 61 2.721 -10.328 -3.035 1.00 0.00 O ATOM 1000 CB SER A 61 1.775 -7.129 -1.802 1.00 0.00 C ATOM 1001 OG SER A 61 0.378 -7.073 -1.559 1.00 0.00 O ATOM 0 H SER A 61 4.205 -8.833 -2.433 1.00 0.00 H new ATOM 0 HA SER A 61 1.997 -8.805 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.281 -6.384 -1.188 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.974 -6.872 -2.843 1.00 0.00 H new ATOM 0 HG SER A 61 0.047 -6.173 -1.761 1.00 0.00 H new ATOM 1007 N LYS A 62 0.574 -9.679 -2.775 1.00 0.00 N ATOM 1008 CA LYS A 62 0.003 -10.719 -3.664 1.00 0.00 C ATOM 1009 C LYS A 62 0.520 -10.557 -5.126 1.00 0.00 C ATOM 1010 O LYS A 62 1.511 -11.218 -5.517 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.560 -10.693 -3.601 1.00 0.00 C ATOM 1012 CG LYS A 62 -2.154 -10.829 -2.181 1.00 0.00 C ATOM 1013 CD LYS A 62 -3.702 -10.707 -2.155 1.00 0.00 C ATOM 1014 CE LYS A 62 -4.402 -11.794 -2.995 1.00 0.00 C ATOM 1015 NZ LYS A 62 -4.095 -13.166 -2.513 1.00 0.00 N ATOM 0 H LYS A 62 -0.120 -9.038 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 62 0.338 -11.694 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.912 -9.759 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.948 -11.501 -4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.864 -11.793 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.724 -10.061 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.050 -10.771 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.991 -9.724 -2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.480 -11.634 -2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.094 -11.700 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.641 -13.858 -3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.079 -13.355 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.351 -13.246 -1.508 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.178 -9.703 -5.924 1.00 0.00 N ATOM 1030 CA GLU A 63 0.153 -9.344 -7.318 1.00 0.00 C ATOM 1031 C GLU A 63 1.646 -9.028 -7.471 1.00 0.00 C ATOM 1032 O GLU A 63 2.276 -9.528 -8.380 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.684 -8.115 -7.793 1.00 0.00 C ATOM 1034 CG GLU A 63 -0.511 -7.717 -9.278 1.00 0.00 C ATOM 1035 CD GLU A 63 -0.814 -8.882 -10.246 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -1.998 -9.255 -10.395 1.00 0.00 O ATOM 1037 OE2 GLU A 63 0.124 -9.451 -10.836 1.00 0.00 O ATOM 0 H GLU A 63 -1.019 -9.231 -5.594 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.092 -10.206 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.738 -8.326 -7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.420 -7.258 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.171 -6.880 -9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.510 -7.371 -9.441 1.00 0.00 H new ATOM 1044 N ALA A 64 2.188 -8.225 -6.532 1.00 0.00 N ATOM 1045 CA ALA A 64 3.592 -7.770 -6.557 1.00 0.00 C ATOM 1046 C ALA A 64 4.580 -8.962 -6.568 1.00 0.00 C ATOM 1047 O ALA A 64 5.390 -9.079 -7.480 1.00 0.00 O ATOM 1048 CB ALA A 64 3.865 -6.844 -5.355 1.00 0.00 C ATOM 0 H ALA A 64 1.661 -7.873 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 64 3.751 -7.212 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.903 -6.512 -5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.206 -5.978 -5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.680 -7.387 -4.428 1.00 0.00 H new ATOM 1054 N GLN A 65 4.551 -9.743 -5.461 1.00 0.00 N ATOM 1055 CA GLN A 65 5.415 -10.965 -5.365 1.00 0.00 C ATOM 1056 C GLN A 65 5.298 -11.832 -6.656 1.00 0.00 C ATOM 1057 O GLN A 65 6.321 -12.309 -7.170 1.00 0.00 O ATOM 1058 CB GLN A 65 5.059 -11.816 -4.120 1.00 0.00 C ATOM 1059 CG GLN A 65 6.105 -12.859 -3.638 1.00 0.00 C ATOM 1060 CD GLN A 65 6.276 -14.110 -4.502 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.534 -15.083 -4.368 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.299 -14.120 -5.344 1.00 0.00 N ATOM 0 H GLN A 65 3.965 -9.566 -4.645 1.00 0.00 H new ATOM 0 HA GLN A 65 6.446 -10.625 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.859 -11.134 -3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.129 -12.345 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.072 -12.362 -3.564 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.831 -13.175 -2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.895 -13.297 -5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.490 -14.951 -5.904 1.00 0.00 H new ATOM 1071 N LYS A 66 4.076 -12.025 -7.223 1.00 0.00 N ATOM 1072 CA LYS A 66 3.828 -12.719 -8.494 1.00 0.00 C ATOM 1073 C LYS A 66 4.529 -12.061 -9.696 1.00 0.00 C ATOM 1074 O LYS A 66 5.132 -12.769 -10.504 1.00 0.00 O ATOM 1075 CB LYS A 66 2.294 -12.823 -8.721 1.00 0.00 C ATOM 1076 CG LYS A 66 1.864 -13.546 -10.018 1.00 0.00 C ATOM 1077 CD LYS A 66 0.374 -13.984 -9.985 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.611 -12.805 -9.963 1.00 0.00 C ATOM 1079 NZ LYS A 66 -0.596 -12.037 -11.227 1.00 0.00 N ATOM 0 H LYS A 66 3.218 -11.688 -6.786 1.00 0.00 H new ATOM 0 HA LYS A 66 4.262 -13.716 -8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.852 -13.344 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.876 -11.816 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.027 -12.886 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.494 -14.422 -10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.166 -14.604 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.205 -14.605 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.618 -13.179 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.362 -12.142 -9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.558 -11.709 -11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.035 -11.216 -11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.254 -12.645 -11.998 1.00 0.00 H new ATOM 1093 N LEU A 67 4.399 -10.722 -9.829 1.00 0.00 N ATOM 1094 CA LEU A 67 5.156 -9.915 -10.815 1.00 0.00 C ATOM 1095 C LEU A 67 6.653 -10.301 -10.802 1.00 0.00 C ATOM 1096 O LEU A 67 7.258 -10.542 -11.850 1.00 0.00 O ATOM 1097 CB LEU A 67 4.994 -8.375 -10.579 1.00 0.00 C ATOM 1098 CG LEU A 67 3.545 -7.784 -10.672 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.542 -6.241 -10.524 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.840 -8.207 -11.972 1.00 0.00 C ATOM 0 H LEU A 67 3.764 -10.168 -9.254 1.00 0.00 H new ATOM 0 HA LEU A 67 4.735 -10.140 -11.795 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.391 -8.141 -9.591 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.618 -7.855 -11.305 1.00 0.00 H new ATOM 0 HG LEU A 67 2.983 -8.200 -9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.519 -5.871 -10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.961 -5.968 -9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.143 -5.798 -11.318 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.839 -7.778 -11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.411 -7.850 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.770 -9.294 -12.011 1.00 0.00 H new ATOM 1112 N MET A 68 7.218 -10.367 -9.594 1.00 0.00 N ATOM 1113 CA MET A 68 8.597 -10.805 -9.329 1.00 0.00 C ATOM 1114 C MET A 68 8.896 -12.243 -9.802 1.00 0.00 C ATOM 1115 O MET A 68 9.994 -12.489 -10.314 1.00 0.00 O ATOM 1116 CB MET A 68 8.945 -10.607 -7.834 1.00 0.00 C ATOM 1117 CG MET A 68 8.722 -9.167 -7.359 1.00 0.00 C ATOM 1118 SD MET A 68 9.320 -8.846 -5.692 1.00 0.00 S ATOM 1119 CE MET A 68 8.860 -7.122 -5.496 1.00 0.00 C ATOM 0 H MET A 68 6.715 -10.110 -8.745 1.00 0.00 H new ATOM 0 HA MET A 68 9.248 -10.170 -9.930 1.00 0.00 H new ATOM 0 HB2 MET A 68 8.337 -11.282 -7.231 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.987 -10.882 -7.668 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.219 -8.486 -8.050 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.656 -8.942 -7.401 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.164 -6.774 -4.509 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.356 -6.524 -6.260 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.780 -7.020 -5.599 1.00 0.00 H new ATOM 1129 N LYS A 69 7.962 -13.203 -9.641 1.00 0.00 N ATOM 1130 CA LYS A 69 8.157 -14.592 -10.164 1.00 0.00 C ATOM 1131 C LYS A 69 7.424 -14.856 -11.510 1.00 0.00 C ATOM 1132 O LYS A 69 7.159 -16.026 -11.847 1.00 0.00 O ATOM 1133 CB LYS A 69 7.686 -15.613 -9.081 1.00 0.00 C ATOM 1134 CG LYS A 69 6.183 -15.532 -8.743 1.00 0.00 C ATOM 1135 CD LYS A 69 5.728 -16.555 -7.682 1.00 0.00 C ATOM 1136 CE LYS A 69 4.212 -16.471 -7.417 1.00 0.00 C ATOM 1137 NZ LYS A 69 3.764 -17.436 -6.386 1.00 0.00 N ATOM 0 H LYS A 69 7.074 -13.056 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 69 9.220 -14.715 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.915 -16.622 -9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.261 -15.449 -8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.954 -14.527 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.606 -15.687 -9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.983 -17.561 -8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.270 -16.379 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.957 -15.460 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.673 -16.659 -8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.738 -17.341 -6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.982 -18.404 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.257 -17.242 -5.491 1.00 0.00 H new ATOM 1151 N MET A 70 7.109 -13.788 -12.283 1.00 0.00 N ATOM 1152 CA MET A 70 6.461 -13.929 -13.620 1.00 0.00 C ATOM 1153 C MET A 70 7.332 -14.753 -14.592 1.00 0.00 C ATOM 1154 O MET A 70 8.562 -14.615 -14.579 1.00 0.00 O ATOM 1155 CB MET A 70 6.145 -12.549 -14.268 1.00 0.00 C ATOM 1156 CG MET A 70 4.857 -11.888 -13.777 1.00 0.00 C ATOM 1157 SD MET A 70 3.371 -12.825 -14.195 1.00 0.00 S ATOM 1158 CE MET A 70 2.075 -11.627 -13.851 1.00 0.00 C ATOM 0 H MET A 70 7.290 -12.822 -12.010 1.00 0.00 H new ATOM 0 HA MET A 70 5.523 -14.456 -13.443 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.979 -11.874 -14.076 1.00 0.00 H new ATOM 0 HB3 MET A 70 6.081 -12.677 -15.349 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.909 -11.766 -12.695 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.782 -10.889 -14.208 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.107 -12.052 -14.115 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.084 -11.376 -12.790 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.248 -10.725 -14.439 1.00 0.00 H new ATOM 1168 N PRO A 71 6.703 -15.648 -15.423 1.00 0.00 N ATOM 1169 CA PRO A 71 7.404 -16.350 -16.507 1.00 0.00 C ATOM 1170 C PRO A 71 7.860 -15.389 -17.637 1.00 0.00 C ATOM 1171 O PRO A 71 9.060 -15.179 -17.817 1.00 0.00 O ATOM 1172 CB PRO A 71 6.372 -17.410 -16.999 1.00 0.00 C ATOM 1173 CG PRO A 71 5.043 -16.861 -16.596 1.00 0.00 C ATOM 1174 CD PRO A 71 5.283 -16.094 -15.317 1.00 0.00 C ATOM 0 HA PRO A 71 8.334 -16.809 -16.170 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.432 -17.550 -18.078 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.554 -18.382 -16.541 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.638 -16.211 -17.371 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.320 -17.662 -16.441 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.604 -15.246 -15.227 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.127 -16.722 -14.440 1.00 0.00 H new ATOM 1182 N PHE A 72 6.904 -14.864 -18.435 1.00 0.00 N ATOM 1183 CA PHE A 72 7.188 -14.031 -19.626 1.00 0.00 C ATOM 1184 C PHE A 72 7.093 -12.558 -19.173 1.00 0.00 C ATOM 1185 O PHE A 72 5.991 -12.143 -18.824 1.00 0.00 O ATOM 1186 CB PHE A 72 6.124 -14.329 -20.725 1.00 0.00 C ATOM 1187 CG PHE A 72 6.090 -15.789 -21.176 1.00 0.00 C ATOM 1188 CD1 PHE A 72 7.009 -16.275 -22.106 1.00 0.00 C ATOM 1189 CD2 PHE A 72 5.138 -16.675 -20.668 1.00 0.00 C ATOM 1190 CE1 PHE A 72 6.980 -17.595 -22.512 1.00 0.00 C ATOM 1191 CE2 PHE A 72 5.107 -17.995 -21.073 1.00 0.00 C ATOM 1192 CZ PHE A 72 6.027 -18.455 -21.996 1.00 0.00 C ATOM 0 H PHE A 72 5.908 -15.007 -18.270 1.00 0.00 H new ATOM 0 HA PHE A 72 8.174 -14.242 -20.039 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.139 -14.053 -20.348 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.323 -13.696 -21.590 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.755 -15.609 -22.515 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.415 -16.323 -19.947 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.700 -17.955 -23.231 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.365 -18.667 -20.669 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.002 -19.487 -22.315 1.00 0.00 H new ATOM 1202 N GLN A 73 8.189 -11.743 -19.146 1.00 0.00 N ATOM 1203 CA GLN A 73 8.140 -10.402 -18.501 1.00 0.00 C ATOM 1204 C GLN A 73 9.361 -9.539 -18.938 1.00 0.00 C ATOM 1205 O GLN A 73 10.334 -10.068 -19.503 1.00 0.00 O ATOM 1206 CB GLN A 73 8.040 -10.490 -16.931 1.00 0.00 C ATOM 1207 CG GLN A 73 9.358 -10.674 -16.125 1.00 0.00 C ATOM 1208 CD GLN A 73 10.033 -12.052 -16.241 1.00 0.00 C ATOM 1209 OE1 GLN A 73 9.979 -12.716 -17.262 1.00 0.00 O ATOM 1210 NE2 GLN A 73 10.667 -12.497 -15.172 1.00 0.00 N ATOM 0 H GLN A 73 9.092 -11.985 -19.553 1.00 0.00 H new ATOM 0 HA GLN A 73 7.227 -9.914 -18.843 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.555 -9.581 -16.576 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.379 -11.321 -16.684 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.069 -9.915 -16.451 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.147 -10.482 -15.073 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.702 -11.928 -14.326 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.122 -13.410 -15.192 1.00 0.00 H new ATOM 1219 N ARG A 74 9.268 -8.220 -18.625 1.00 0.00 N ATOM 1220 CA ARG A 74 10.320 -7.206 -18.974 1.00 0.00 C ATOM 1221 C ARG A 74 9.968 -5.799 -18.478 1.00 0.00 C ATOM 1222 O ARG A 74 9.063 -5.628 -17.696 1.00 0.00 O ATOM 1223 CB ARG A 74 10.571 -7.178 -20.517 1.00 0.00 C ATOM 1224 CG ARG A 74 9.376 -6.701 -21.377 1.00 0.00 C ATOM 1225 CD ARG A 74 9.679 -6.794 -22.878 1.00 0.00 C ATOM 1226 NE ARG A 74 8.636 -6.165 -23.713 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.061 -6.725 -24.791 1.00 0.00 C ATOM 1228 NH1 ARG A 74 8.264 -8.001 -25.085 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.250 -6.011 -25.548 1.00 0.00 N ATOM 0 H ARG A 74 8.471 -7.823 -18.127 1.00 0.00 H new ATOM 0 HA ARG A 74 11.232 -7.515 -18.463 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.423 -6.528 -20.717 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.852 -8.180 -20.840 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.498 -7.305 -21.146 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.131 -5.671 -21.119 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.637 -6.316 -23.081 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.780 -7.842 -23.159 1.00 0.00 H new ATOM 0 HE ARG A 74 8.327 -5.229 -23.450 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.864 -8.572 -24.490 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.821 -8.412 -25.907 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.061 -5.036 -25.315 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.812 -6.434 -26.367 1.00 0.00 H new ATOM 1243 N ALA A 75 10.728 -4.780 -18.911 1.00 0.00 N ATOM 1244 CA ALA A 75 10.352 -3.369 -18.783 1.00 0.00 C ATOM 1245 C ALA A 75 10.309 -2.831 -20.210 1.00 0.00 C ATOM 1246 O ALA A 75 11.333 -2.897 -20.898 1.00 0.00 O ATOM 1247 CB ALA A 75 11.363 -2.601 -17.912 1.00 0.00 C ATOM 0 H ALA A 75 11.631 -4.918 -19.365 1.00 0.00 H new ATOM 0 HA ALA A 75 9.389 -3.248 -18.286 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.058 -1.557 -17.835 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.396 -3.044 -16.917 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.352 -2.657 -18.367 1.00 0.00 H new ATOM 1253 N ILE A 76 9.160 -2.311 -20.681 1.00 0.00 N ATOM 1254 CA ILE A 76 8.822 -2.177 -22.106 1.00 0.00 C ATOM 1255 C ILE A 76 9.662 -1.039 -22.732 1.00 0.00 C ATOM 1256 O ILE A 76 9.752 0.044 -22.150 1.00 0.00 O ATOM 1257 CB ILE A 76 7.287 -1.831 -22.256 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.386 -2.805 -21.414 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.858 -1.814 -23.740 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.395 -4.263 -21.865 1.00 0.00 C ATOM 0 H ILE A 76 8.425 -1.965 -20.064 1.00 0.00 H new ATOM 0 HA ILE A 76 9.038 -3.116 -22.616 1.00 0.00 H new ATOM 0 HB ILE A 76 7.141 -0.828 -21.856 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.709 -2.763 -20.374 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.359 -2.440 -21.444 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.797 -1.573 -23.809 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.437 -1.063 -24.277 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.037 -2.794 -24.182 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.742 -4.848 -21.218 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.040 -4.328 -22.893 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.410 -4.656 -21.806 1.00 0.00 H new ATOM 1272 N THR A 77 10.270 -1.295 -23.903 1.00 0.00 N ATOM 1273 CA THR A 77 11.094 -0.306 -24.622 1.00 0.00 C ATOM 1274 C THR A 77 10.211 0.714 -25.357 1.00 0.00 C ATOM 1275 O THR A 77 9.047 0.433 -25.625 1.00 0.00 O ATOM 1276 CB THR A 77 12.046 -1.006 -25.652 1.00 0.00 C ATOM 1277 OG1 THR A 77 11.276 -1.804 -26.568 1.00 0.00 O ATOM 1278 CG2 THR A 77 13.103 -1.880 -24.952 1.00 0.00 C ATOM 0 H THR A 77 10.204 -2.195 -24.379 1.00 0.00 H new ATOM 0 HA THR A 77 11.698 0.214 -23.879 1.00 0.00 H new ATOM 0 HB THR A 77 12.573 -0.225 -26.200 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.877 -2.237 -27.210 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.743 -2.347 -25.701 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.710 -1.259 -24.293 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.606 -2.653 -24.366 1.00 0.00 H new ATOM 1286 N LYS A 78 10.794 1.891 -25.673 1.00 0.00 N ATOM 1287 CA LYS A 78 10.132 2.951 -26.482 1.00 0.00 C ATOM 1288 C LYS A 78 9.709 2.432 -27.880 1.00 0.00 C ATOM 1289 O LYS A 78 8.819 3.002 -28.517 1.00 0.00 O ATOM 1290 CB LYS A 78 11.077 4.171 -26.643 1.00 0.00 C ATOM 1291 CG LYS A 78 11.441 4.887 -25.327 1.00 0.00 C ATOM 1292 CD LYS A 78 12.481 6.040 -25.493 1.00 0.00 C ATOM 1293 CE LYS A 78 12.000 7.215 -26.387 1.00 0.00 C ATOM 1294 NZ LYS A 78 12.117 6.947 -27.854 1.00 0.00 N ATOM 0 H LYS A 78 11.738 2.138 -25.376 1.00 0.00 H new ATOM 0 HA LYS A 78 9.230 3.252 -25.948 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.996 3.839 -27.126 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.607 4.891 -27.313 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.532 5.294 -24.884 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.837 4.154 -24.625 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.733 6.430 -24.507 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.397 5.628 -25.917 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.959 7.437 -26.150 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.579 8.105 -26.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.526 7.778 -28.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.732 6.123 -28.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.174 6.754 -28.248 1.00 0.00 H new ATOM 1308 N LYS A 79 10.400 1.374 -28.345 1.00 0.00 N ATOM 1309 CA LYS A 79 10.069 0.612 -29.563 1.00 0.00 C ATOM 1310 C LYS A 79 8.666 -0.018 -29.450 1.00 0.00 C ATOM 1311 O LYS A 79 7.821 0.141 -30.332 1.00 0.00 O ATOM 1312 CB LYS A 79 11.090 -0.517 -29.803 1.00 0.00 C ATOM 1313 CG LYS A 79 12.555 -0.063 -29.913 1.00 0.00 C ATOM 1314 CD LYS A 79 13.502 -1.266 -30.106 1.00 0.00 C ATOM 1315 CE LYS A 79 13.295 -1.971 -31.459 1.00 0.00 C ATOM 1316 NZ LYS A 79 14.147 -3.181 -31.600 1.00 0.00 N ATOM 0 H LYS A 79 11.228 1.016 -27.869 1.00 0.00 H new ATOM 0 HA LYS A 79 10.095 1.313 -30.398 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.010 -1.237 -28.988 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.819 -1.041 -30.719 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.663 0.625 -30.751 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.837 0.484 -29.013 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.535 -0.926 -30.032 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.343 -1.982 -29.299 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.247 -2.253 -31.563 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.520 -1.275 -32.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.973 -3.622 -32.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.149 -2.911 -31.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.916 -3.858 -30.845 1.00 0.00 H new ATOM 1330 N GLU A 80 8.443 -0.736 -28.338 1.00 0.00 N ATOM 1331 CA GLU A 80 7.180 -1.433 -28.061 1.00 0.00 C ATOM 1332 C GLU A 80 6.161 -0.479 -27.403 1.00 0.00 C ATOM 1333 O GLU A 80 5.026 -0.869 -27.168 1.00 0.00 O ATOM 1334 CB GLU A 80 7.457 -2.675 -27.178 1.00 0.00 C ATOM 1335 CG GLU A 80 8.139 -3.837 -27.929 1.00 0.00 C ATOM 1336 CD GLU A 80 7.225 -4.470 -29.004 1.00 0.00 C ATOM 1337 OE1 GLU A 80 6.260 -5.177 -28.636 1.00 0.00 O ATOM 1338 OE2 GLU A 80 7.462 -4.263 -30.217 1.00 0.00 O ATOM 0 H GLU A 80 9.140 -0.849 -27.602 1.00 0.00 H new ATOM 0 HA GLU A 80 6.740 -1.771 -29.000 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.086 -2.379 -26.339 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.515 -3.029 -26.760 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.051 -3.473 -28.402 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.435 -4.603 -27.213 1.00 0.00 H new ATOM 1345 N GLN A 81 6.603 0.744 -27.035 1.00 0.00 N ATOM 1346 CA GLN A 81 5.695 1.869 -26.724 1.00 0.00 C ATOM 1347 C GLN A 81 5.201 2.568 -28.005 1.00 0.00 C ATOM 1348 O GLN A 81 4.113 3.142 -28.016 1.00 0.00 O ATOM 1349 CB GLN A 81 6.394 2.862 -25.764 1.00 0.00 C ATOM 1350 CG GLN A 81 6.710 2.270 -24.365 1.00 0.00 C ATOM 1351 CD GLN A 81 7.674 3.122 -23.536 1.00 0.00 C ATOM 1352 OE1 GLN A 81 7.740 4.338 -23.687 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.425 2.492 -22.650 1.00 0.00 N ATOM 0 H GLN A 81 7.592 0.978 -26.946 1.00 0.00 H new ATOM 0 HA GLN A 81 4.811 1.472 -26.224 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.323 3.201 -26.222 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.760 3.740 -25.641 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.778 2.151 -23.812 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.136 1.274 -24.490 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.350 1.480 -22.545 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.080 3.017 -22.071 1.00 0.00 H new ATOM 1362 N ALA A 82 5.988 2.489 -29.089 1.00 0.00 N ATOM 1363 CA ALA A 82 5.581 2.880 -30.449 1.00 0.00 C ATOM 1364 C ALA A 82 4.601 1.863 -31.028 1.00 0.00 C ATOM 1365 O ALA A 82 3.609 2.228 -31.667 1.00 0.00 O ATOM 1366 CB ALA A 82 6.815 3.052 -31.356 1.00 0.00 C ATOM 0 H ALA A 82 6.947 2.144 -29.044 1.00 0.00 H new ATOM 0 HA ALA A 82 5.071 3.842 -30.397 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.494 3.341 -32.357 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.463 3.826 -30.945 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.362 2.111 -31.408 1.00 0.00 H new ATOM 1372 N ASP A 83 4.899 0.580 -30.788 1.00 0.00 N ATOM 1373 CA ASP A 83 4.059 -0.553 -31.200 1.00 0.00 C ATOM 1374 C ASP A 83 3.265 -1.083 -29.998 1.00 0.00 C ATOM 1375 O ASP A 83 2.966 -2.281 -29.930 1.00 0.00 O ATOM 1376 CB ASP A 83 4.945 -1.659 -31.849 1.00 0.00 C ATOM 1377 CG ASP A 83 5.647 -1.155 -33.121 1.00 0.00 C ATOM 1378 OD1 ASP A 83 6.760 -0.595 -33.027 1.00 0.00 O ATOM 1379 OD2 ASP A 83 5.073 -1.279 -34.222 1.00 0.00 O ATOM 0 H ASP A 83 5.744 0.295 -30.294 1.00 0.00 H new ATOM 0 HA ASP A 83 3.338 -0.225 -31.949 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.692 -1.994 -31.130 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.327 -2.523 -32.093 1.00 0.00 H new ATOM 1384 N MET A 84 2.877 -0.152 -29.083 1.00 0.00 N ATOM 1385 CA MET A 84 2.055 -0.468 -27.887 1.00 0.00 C ATOM 1386 C MET A 84 0.749 -1.148 -28.276 1.00 0.00 C ATOM 1387 O MET A 84 0.314 -2.113 -27.626 1.00 0.00 O ATOM 1388 CB MET A 84 1.750 0.823 -27.043 1.00 0.00 C ATOM 1389 CG MET A 84 2.376 0.804 -25.646 1.00 0.00 C ATOM 1390 SD MET A 84 2.026 -0.730 -24.777 1.00 0.00 S ATOM 1391 CE MET A 84 3.259 -0.687 -23.497 1.00 0.00 C ATOM 0 H MET A 84 3.126 0.835 -29.156 1.00 0.00 H new ATOM 0 HA MET A 84 2.638 -1.155 -27.274 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.116 1.696 -27.584 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.670 0.937 -26.947 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.455 0.936 -25.730 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.996 1.645 -25.066 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.580 -1.703 -23.267 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.115 -0.104 -23.836 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.839 -0.228 -22.602 1.00 0.00 H new ATOM 1401 N GLY A 85 0.144 -0.629 -29.352 1.00 0.00 N ATOM 1402 CA GLY A 85 -1.126 -1.115 -29.825 1.00 0.00 C ATOM 1403 C GLY A 85 -1.056 -2.569 -30.220 1.00 0.00 C ATOM 1404 O GLY A 85 -1.883 -3.353 -29.770 1.00 0.00 O ATOM 0 H GLY A 85 0.531 0.135 -29.906 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.878 -0.985 -29.047 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.447 -0.521 -30.680 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.046 -2.942 -31.044 1.00 0.00 N ATOM 1409 CA LYS A 86 0.164 -4.318 -31.502 1.00 0.00 C ATOM 1410 C LYS A 86 0.507 -5.215 -30.298 1.00 0.00 C ATOM 1411 O LYS A 86 -0.111 -6.275 -30.132 1.00 0.00 O ATOM 1412 CB LYS A 86 1.300 -4.312 -32.586 1.00 0.00 C ATOM 1413 CG LYS A 86 1.817 -5.695 -33.097 1.00 0.00 C ATOM 1414 CD LYS A 86 2.987 -6.285 -32.263 1.00 0.00 C ATOM 1415 CE LYS A 86 4.255 -5.406 -32.286 1.00 0.00 C ATOM 1416 NZ LYS A 86 5.301 -5.907 -31.352 1.00 0.00 N ATOM 0 H LYS A 86 0.645 -2.284 -31.406 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.740 -4.724 -31.957 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.940 -3.748 -33.447 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.150 -3.765 -32.179 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.989 -6.404 -33.093 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.141 -5.589 -34.132 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.660 -6.413 -31.231 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.233 -7.276 -32.645 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.657 -5.377 -33.299 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.991 -4.383 -32.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.981 -5.146 -31.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.855 -6.215 -30.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.798 -6.710 -31.786 1.00 0.00 H new ATOM 1430 N LEU A 87 1.547 -4.808 -29.511 1.00 0.00 N ATOM 1431 CA LEU A 87 1.914 -5.411 -28.219 1.00 0.00 C ATOM 1432 C LEU A 87 0.701 -5.855 -27.369 1.00 0.00 C ATOM 1433 O LEU A 87 0.566 -7.044 -27.049 1.00 0.00 O ATOM 1434 CB LEU A 87 2.819 -4.415 -27.430 1.00 0.00 C ATOM 1435 CG LEU A 87 3.278 -4.861 -26.003 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.119 -6.155 -26.043 1.00 0.00 C ATOM 1437 CD2 LEU A 87 4.047 -3.731 -25.287 1.00 0.00 C ATOM 0 H LEU A 87 2.158 -4.035 -29.774 1.00 0.00 H new ATOM 0 HA LEU A 87 2.461 -6.329 -28.434 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.709 -4.218 -28.027 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.283 -3.471 -27.335 1.00 0.00 H new ATOM 0 HG LEU A 87 2.375 -5.077 -25.432 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.416 -6.427 -25.030 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.527 -6.961 -26.477 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.009 -5.992 -26.651 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.354 -4.070 -24.297 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.929 -3.466 -25.869 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.402 -2.858 -25.188 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.216 -4.921 -27.079 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.252 -5.115 -26.035 1.00 0.00 C ATOM 1451 C LYS A 88 -2.504 -5.799 -26.662 1.00 0.00 C ATOM 1452 O LYS A 88 -3.258 -6.488 -25.962 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.601 -3.746 -25.397 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.484 -3.188 -24.483 1.00 0.00 C ATOM 1455 CD LYS A 88 -0.851 -1.835 -23.827 1.00 0.00 C ATOM 1456 CE LYS A 88 -1.944 -1.959 -22.754 1.00 0.00 C ATOM 1457 NZ LYS A 88 -2.385 -0.629 -22.255 1.00 0.00 N ATOM 0 H LYS A 88 -0.267 -4.018 -27.551 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.877 -5.768 -25.247 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.804 -3.026 -26.190 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.518 -3.848 -24.816 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.266 -3.916 -23.701 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.428 -3.065 -25.068 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.043 -1.402 -23.378 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.186 -1.143 -24.600 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.799 -2.494 -23.167 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.569 -2.553 -21.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.123 -0.756 -21.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.574 -0.129 -21.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.767 -0.071 -23.045 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.691 -5.585 -27.995 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.724 -6.261 -28.859 1.00 0.00 C ATOM 1473 C LYS A 89 -3.712 -7.812 -28.759 1.00 0.00 C ATOM 1474 O LYS A 89 -4.699 -8.482 -29.104 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.449 -5.867 -30.340 1.00 0.00 C ATOM 1476 CG LYS A 89 -4.387 -6.476 -31.411 1.00 0.00 C ATOM 1477 CD LYS A 89 -3.865 -6.279 -32.858 1.00 0.00 C ATOM 1478 CE LYS A 89 -2.514 -6.991 -33.111 1.00 0.00 C ATOM 1479 NZ LYS A 89 -2.102 -6.942 -34.535 1.00 0.00 N ATOM 0 H LYS A 89 -2.118 -4.923 -28.519 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.701 -5.928 -28.507 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.504 -4.781 -30.418 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.426 -6.153 -30.583 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.508 -7.542 -31.216 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.374 -6.022 -31.322 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.607 -6.657 -33.561 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.751 -5.213 -33.056 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.742 -6.527 -32.497 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.591 -8.031 -32.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.192 -7.432 -34.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.823 -7.408 -35.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.001 -5.951 -34.833 1.00 0.00 H new ATOM 1493 N SER A 90 -2.633 -8.356 -28.214 1.00 0.00 N ATOM 1494 CA SER A 90 -2.361 -9.792 -28.297 1.00 0.00 C ATOM 1495 C SER A 90 -2.553 -10.478 -26.941 1.00 0.00 C ATOM 1496 O SER A 90 -3.389 -11.377 -26.786 1.00 0.00 O ATOM 1497 CB SER A 90 -0.917 -9.961 -28.816 1.00 0.00 C ATOM 1498 OG SER A 90 -0.735 -9.268 -30.045 1.00 0.00 O ATOM 0 H SER A 90 -1.926 -7.825 -27.706 1.00 0.00 H new ATOM 0 HA SER A 90 -3.064 -10.269 -28.979 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.213 -9.584 -28.074 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.698 -11.020 -28.955 1.00 0.00 H new ATOM 0 HG SER A 90 -0.546 -8.324 -29.863 1.00 0.00 H new ATOM 1504 N VAL A 91 -1.779 -9.991 -25.970 1.00 0.00 N ATOM 1505 CA VAL A 91 -1.569 -10.659 -24.657 1.00 0.00 C ATOM 1506 C VAL A 91 -2.881 -10.822 -23.829 1.00 0.00 C ATOM 1507 O VAL A 91 -2.901 -11.595 -22.861 1.00 0.00 O ATOM 1508 CB VAL A 91 -0.495 -9.890 -23.778 1.00 0.00 C ATOM 1509 CG1 VAL A 91 0.225 -10.836 -22.779 1.00 0.00 C ATOM 1510 CG2 VAL A 91 0.530 -9.130 -24.642 1.00 0.00 C ATOM 0 H VAL A 91 -1.269 -9.113 -26.061 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.202 -11.656 -24.900 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.050 -9.152 -23.199 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.951 -10.267 -22.198 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.508 -11.281 -22.107 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.738 -11.624 -23.330 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.244 -8.620 -23.995 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.060 -9.835 -25.282 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.012 -8.397 -25.260 1.00 0.00 H new ATOM 1520 N ARG A 92 -3.962 -10.110 -24.247 1.00 0.00 N ATOM 1521 CA ARG A 92 -5.245 -9.992 -23.508 1.00 0.00 C ATOM 1522 C ARG A 92 -5.010 -9.164 -22.227 1.00 0.00 C ATOM 1523 O ARG A 92 -5.332 -7.969 -22.186 1.00 0.00 O ATOM 1524 CB ARG A 92 -5.893 -11.384 -23.198 1.00 0.00 C ATOM 1525 CG ARG A 92 -7.231 -11.327 -22.414 1.00 0.00 C ATOM 1526 CD ARG A 92 -7.651 -12.697 -21.841 1.00 0.00 C ATOM 1527 NE ARG A 92 -6.646 -13.215 -20.881 1.00 0.00 N ATOM 1528 CZ ARG A 92 -6.903 -13.978 -19.807 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -8.144 -14.338 -19.500 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -5.903 -14.376 -19.041 1.00 0.00 N ATOM 0 H ARG A 92 -3.964 -9.592 -25.126 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.966 -9.476 -24.142 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.063 -11.906 -24.140 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.181 -11.980 -22.628 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.138 -10.611 -21.598 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.017 -10.958 -23.073 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.617 -12.604 -21.344 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.779 -13.410 -22.656 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.671 -12.969 -21.053 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.923 -14.034 -20.085 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.318 -14.918 -18.679 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.947 -14.103 -19.268 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.087 -14.956 -18.222 1.00 0.00 H new ATOM 1544 N GLY A 93 -4.414 -9.802 -21.208 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.933 -9.123 -20.002 1.00 0.00 C ATOM 1546 C GLY A 93 -2.416 -9.163 -19.971 1.00 0.00 C ATOM 1547 O GLY A 93 -1.821 -10.213 -20.263 1.00 0.00 O ATOM 0 H GLY A 93 -4.253 -10.809 -21.201 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.281 -8.090 -19.990 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.339 -9.606 -19.113 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.773 -8.056 -19.582 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.333 -7.787 -19.705 1.00 0.00 C ATOM 1553 C LEU A 94 -0.165 -6.615 -18.720 1.00 0.00 C ATOM 1554 O LEU A 94 -0.941 -5.649 -18.807 1.00 0.00 O ATOM 1555 CB LEU A 94 0.078 -7.342 -21.148 1.00 0.00 C ATOM 1556 CG LEU A 94 1.414 -6.530 -21.284 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.629 -7.300 -20.716 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.662 -6.097 -22.748 1.00 0.00 C ATOM 0 H LEU A 94 -2.271 -7.279 -19.148 1.00 0.00 H new ATOM 0 HA LEU A 94 0.284 -8.663 -19.503 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.158 -8.234 -21.769 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.730 -6.738 -21.560 1.00 0.00 H new ATOM 0 HG LEU A 94 1.298 -5.630 -20.681 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.529 -6.697 -20.833 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.466 -7.507 -19.658 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.749 -8.240 -21.255 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.595 -5.537 -22.809 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.728 -6.981 -23.383 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.838 -5.468 -23.086 1.00 0.00 H new ATOM 1570 N VAL A 95 0.823 -6.618 -17.820 1.00 0.00 N ATOM 1571 CA VAL A 95 0.766 -5.827 -16.583 1.00 0.00 C ATOM 1572 C VAL A 95 1.855 -4.767 -16.696 1.00 0.00 C ATOM 1573 O VAL A 95 3.013 -5.022 -16.353 1.00 0.00 O ATOM 1574 CB VAL A 95 0.960 -6.687 -15.280 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.766 -5.815 -14.014 1.00 0.00 C ATOM 1576 CG2 VAL A 95 0.018 -7.908 -15.272 1.00 0.00 C ATOM 0 H VAL A 95 1.679 -7.163 -17.925 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.226 -5.386 -16.484 1.00 0.00 H new ATOM 0 HB VAL A 95 1.982 -7.065 -15.273 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.905 -6.429 -13.124 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.497 -5.006 -14.014 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.240 -5.395 -14.012 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.175 -8.483 -14.359 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.017 -7.569 -15.314 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.229 -8.536 -16.137 1.00 0.00 H new ATOM 1586 N VAL A 96 1.488 -3.648 -17.344 1.00 0.00 N ATOM 1587 CA VAL A 96 2.349 -2.459 -17.475 1.00 0.00 C ATOM 1588 C VAL A 96 2.240 -1.587 -16.189 1.00 0.00 C ATOM 1589 O VAL A 96 1.130 -1.319 -15.710 1.00 0.00 O ATOM 1590 CB VAL A 96 1.984 -1.628 -18.774 1.00 0.00 C ATOM 1591 CG1 VAL A 96 2.924 -0.416 -18.980 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.989 -2.530 -20.042 1.00 0.00 C ATOM 0 H VAL A 96 0.579 -3.542 -17.795 1.00 0.00 H new ATOM 0 HA VAL A 96 3.384 -2.784 -17.586 1.00 0.00 H new ATOM 0 HB VAL A 96 0.976 -1.243 -18.620 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.633 0.121 -19.883 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.851 0.251 -18.121 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.951 -0.766 -19.081 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.735 -1.930 -20.916 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.980 -2.964 -20.176 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.256 -3.328 -19.924 1.00 0.00 H new ATOM 1602 N VAL A 97 3.398 -1.149 -15.647 1.00 0.00 N ATOM 1603 CA VAL A 97 3.503 -0.465 -14.331 1.00 0.00 C ATOM 1604 C VAL A 97 4.399 0.782 -14.510 1.00 0.00 C ATOM 1605 O VAL A 97 5.566 0.645 -14.908 1.00 0.00 O ATOM 1606 CB VAL A 97 4.128 -1.405 -13.217 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.149 -0.715 -11.828 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.399 -2.772 -13.134 1.00 0.00 C ATOM 0 H VAL A 97 4.298 -1.260 -16.113 1.00 0.00 H new ATOM 0 HA VAL A 97 2.501 -0.192 -14.000 1.00 0.00 H new ATOM 0 HB VAL A 97 5.159 -1.595 -13.516 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.584 -1.391 -11.092 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.747 0.195 -11.883 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.131 -0.463 -11.531 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.860 -3.384 -12.358 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.349 -2.610 -12.892 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.476 -3.284 -14.093 1.00 0.00 H new ATOM 1618 N HIS A 98 3.865 1.992 -14.237 1.00 0.00 N ATOM 1619 CA HIS A 98 4.568 3.255 -14.522 1.00 0.00 C ATOM 1620 C HIS A 98 5.560 3.557 -13.352 1.00 0.00 C ATOM 1621 O HIS A 98 5.241 3.267 -12.192 1.00 0.00 O ATOM 1622 CB HIS A 98 3.515 4.381 -14.683 1.00 0.00 C ATOM 1623 CG HIS A 98 4.065 5.706 -15.139 1.00 0.00 C ATOM 1624 ND1 HIS A 98 4.547 6.642 -14.250 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.193 6.192 -16.396 1.00 0.00 C ATOM 1626 CE1 HIS A 98 4.948 7.656 -14.989 1.00 0.00 C ATOM 1627 NE2 HIS A 98 4.756 7.430 -16.289 1.00 0.00 N ATOM 0 H HIS A 98 2.944 2.117 -13.817 1.00 0.00 H new ATOM 0 HA HIS A 98 5.143 3.186 -15.445 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.760 4.053 -15.398 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.009 4.524 -13.728 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.904 5.694 -17.310 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.380 8.562 -14.590 1.00 0.00 H new ATOM 0 HE2 HIS A 98 4.986 8.062 -17.056 1.00 0.00 H new ATOM 1635 N PRO A 99 6.787 4.104 -13.630 1.00 0.00 N ATOM 1636 CA PRO A 99 7.800 4.385 -12.578 1.00 0.00 C ATOM 1637 C PRO A 99 7.385 5.516 -11.605 1.00 0.00 C ATOM 1638 O PRO A 99 7.491 5.357 -10.392 1.00 0.00 O ATOM 1639 CB PRO A 99 9.052 4.792 -13.396 1.00 0.00 C ATOM 1640 CG PRO A 99 8.507 5.304 -14.690 1.00 0.00 C ATOM 1641 CD PRO A 99 7.305 4.449 -14.984 1.00 0.00 C ATOM 0 HA PRO A 99 7.951 3.523 -11.928 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.631 5.557 -12.879 1.00 0.00 H new ATOM 0 HB3 PRO A 99 9.716 3.942 -13.554 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.231 6.356 -14.611 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.248 5.227 -15.486 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.563 4.988 -15.573 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.575 3.558 -15.550 1.00 0.00 H new ATOM 1649 N MET A 100 6.896 6.643 -12.176 1.00 0.00 N ATOM 1650 CA MET A 100 6.677 7.896 -11.409 1.00 0.00 C ATOM 1651 C MET A 100 5.365 7.876 -10.616 1.00 0.00 C ATOM 1652 O MET A 100 5.094 8.796 -9.833 1.00 0.00 O ATOM 1653 CB MET A 100 6.743 9.136 -12.332 1.00 0.00 C ATOM 1654 CG MET A 100 8.056 9.265 -13.111 1.00 0.00 C ATOM 1655 SD MET A 100 8.252 10.877 -13.913 1.00 0.00 S ATOM 1656 CE MET A 100 6.842 10.938 -15.024 1.00 0.00 C ATOM 0 H MET A 100 6.646 6.711 -13.162 1.00 0.00 H new ATOM 0 HA MET A 100 7.488 7.963 -10.683 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.915 9.093 -13.040 1.00 0.00 H new ATOM 0 HB3 MET A 100 6.601 10.033 -11.729 1.00 0.00 H new ATOM 0 HG2 MET A 100 8.892 9.100 -12.432 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.101 8.482 -13.868 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.900 11.838 -15.636 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.849 10.060 -15.669 1.00 0.00 H new ATOM 0 HE3 MET A 100 5.921 10.953 -14.442 1.00 0.00 H new ATOM 1666 N THR A 101 4.550 6.838 -10.828 1.00 0.00 N ATOM 1667 CA THR A 101 3.424 6.510 -9.939 1.00 0.00 C ATOM 1668 C THR A 101 3.973 5.860 -8.659 1.00 0.00 C ATOM 1669 O THR A 101 5.078 5.317 -8.674 1.00 0.00 O ATOM 1670 CB THR A 101 2.418 5.529 -10.618 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.079 4.295 -10.917 1.00 0.00 O ATOM 1672 CG2 THR A 101 1.809 6.098 -11.913 1.00 0.00 C ATOM 0 H THR A 101 4.649 6.201 -11.618 1.00 0.00 H new ATOM 0 HA THR A 101 2.892 7.433 -9.709 1.00 0.00 H new ATOM 0 HB THR A 101 1.602 5.373 -9.912 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.797 4.457 -11.564 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.118 5.371 -12.340 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.273 7.020 -11.688 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.605 6.306 -12.629 1.00 0.00 H new ATOM 1680 N ALA A 102 3.169 5.872 -7.591 1.00 0.00 N ATOM 1681 CA ALA A 102 3.577 5.398 -6.260 1.00 0.00 C ATOM 1682 C ALA A 102 4.077 3.942 -6.270 1.00 0.00 C ATOM 1683 O ALA A 102 5.107 3.653 -5.665 1.00 0.00 O ATOM 1684 CB ALA A 102 2.409 5.545 -5.268 1.00 0.00 C ATOM 0 H ALA A 102 2.208 6.213 -7.624 1.00 0.00 H new ATOM 0 HA ALA A 102 4.415 6.020 -5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.720 5.192 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.118 6.593 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.561 4.954 -5.614 1.00 0.00 H new ATOM 1690 N LEU A 103 3.284 3.039 -6.906 1.00 0.00 N ATOM 1691 CA LEU A 103 3.546 1.574 -6.888 1.00 0.00 C ATOM 1692 C LEU A 103 5.011 1.281 -7.346 1.00 0.00 C ATOM 1693 O LEU A 103 5.756 0.592 -6.643 1.00 0.00 O ATOM 1694 CB LEU A 103 2.536 0.779 -7.782 1.00 0.00 C ATOM 1695 CG LEU A 103 2.670 -0.790 -7.732 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.421 -1.336 -6.304 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.739 -1.491 -8.761 1.00 0.00 C ATOM 0 H LEU A 103 2.455 3.301 -7.439 1.00 0.00 H new ATOM 0 HA LEU A 103 3.410 1.235 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.523 1.049 -7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.660 1.103 -8.815 1.00 0.00 H new ATOM 0 HG LEU A 103 3.698 -1.024 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.522 -2.421 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.150 -0.906 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.416 -1.066 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.866 -2.571 -8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.702 -1.233 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.996 -1.161 -9.768 1.00 0.00 H new ATOM 1709 N GLY A 104 5.426 1.857 -8.503 1.00 0.00 N ATOM 1710 CA GLY A 104 6.815 1.739 -8.996 1.00 0.00 C ATOM 1711 C GLY A 104 7.832 2.521 -8.168 1.00 0.00 C ATOM 1712 O GLY A 104 8.909 2.015 -7.857 1.00 0.00 O ATOM 0 H GLY A 104 4.816 2.406 -9.109 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.099 0.687 -9.004 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.855 2.088 -10.028 1.00 0.00 H new ATOM 1716 N ARG A 105 7.466 3.775 -7.864 1.00 0.00 N ATOM 1717 CA ARG A 105 8.255 4.647 -6.955 1.00 0.00 C ATOM 1718 C ARG A 105 8.627 3.919 -5.643 1.00 0.00 C ATOM 1719 O ARG A 105 9.669 4.214 -5.051 1.00 0.00 O ATOM 1720 CB ARG A 105 7.585 6.009 -6.622 1.00 0.00 C ATOM 1721 CG ARG A 105 7.666 7.047 -7.758 1.00 0.00 C ATOM 1722 CD ARG A 105 7.404 8.489 -7.290 1.00 0.00 C ATOM 1723 NE ARG A 105 6.089 8.656 -6.641 1.00 0.00 N ATOM 1724 CZ ARG A 105 5.437 9.819 -6.507 1.00 0.00 C ATOM 1725 NH1 ARG A 105 5.865 10.924 -7.113 1.00 0.00 N ATOM 1726 NH2 ARG A 105 4.330 9.863 -5.788 1.00 0.00 N ATOM 0 H ARG A 105 6.625 4.218 -8.233 1.00 0.00 H new ATOM 0 HA ARG A 105 9.159 4.874 -7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.537 5.836 -6.377 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.056 6.425 -5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.653 6.996 -8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.942 6.787 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.187 8.787 -6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.468 9.160 -8.147 1.00 0.00 H new ATOM 0 HE ARG A 105 5.641 7.820 -6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.704 10.896 -7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.354 11.799 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.978 9.016 -5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 105 3.827 10.744 -5.680 1.00 0.00 H new ATOM 1740 N GLU A 106 7.771 2.972 -5.195 1.00 0.00 N ATOM 1741 CA GLU A 106 8.000 2.156 -3.998 1.00 0.00 C ATOM 1742 C GLU A 106 8.767 0.866 -4.342 1.00 0.00 C ATOM 1743 O GLU A 106 9.747 0.530 -3.671 1.00 0.00 O ATOM 1744 CB GLU A 106 6.640 1.819 -3.335 1.00 0.00 C ATOM 1745 CG GLU A 106 6.738 1.257 -1.907 1.00 0.00 C ATOM 1746 CD GLU A 106 7.455 2.221 -0.941 1.00 0.00 C ATOM 1747 OE1 GLU A 106 6.925 3.324 -0.698 1.00 0.00 O ATOM 1748 OE2 GLU A 106 8.542 1.880 -0.424 1.00 0.00 O ATOM 0 H GLU A 106 6.893 2.757 -5.667 1.00 0.00 H new ATOM 0 HA GLU A 106 8.612 2.726 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.029 2.721 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.117 1.095 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.736 1.051 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.272 0.307 -1.930 1.00 0.00 H new ATOM 1755 N MET A 107 8.316 0.158 -5.410 1.00 0.00 N ATOM 1756 CA MET A 107 8.876 -1.184 -5.765 1.00 0.00 C ATOM 1757 C MET A 107 10.319 -1.019 -6.323 1.00 0.00 C ATOM 1758 O MET A 107 11.023 -2.007 -6.538 1.00 0.00 O ATOM 1759 CB MET A 107 7.983 -1.918 -6.818 1.00 0.00 C ATOM 1760 CG MET A 107 6.686 -2.558 -6.272 1.00 0.00 C ATOM 1761 SD MET A 107 5.656 -3.286 -7.577 1.00 0.00 S ATOM 1762 CE MET A 107 6.753 -4.499 -8.325 1.00 0.00 C ATOM 0 H MET A 107 7.578 0.483 -6.035 1.00 0.00 H new ATOM 0 HA MET A 107 8.896 -1.791 -4.860 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.714 -1.205 -7.598 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.579 -2.698 -7.291 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.945 -3.330 -5.547 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.109 -1.801 -5.740 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.174 -5.173 -8.957 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.502 -3.988 -8.930 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.249 -5.073 -7.542 1.00 0.00 H new ATOM 1772 N GLY A 108 10.725 0.252 -6.565 1.00 0.00 N ATOM 1773 CA GLY A 108 12.075 0.606 -7.005 1.00 0.00 C ATOM 1774 C GLY A 108 12.136 1.035 -8.464 1.00 0.00 C ATOM 1775 O GLY A 108 13.159 1.571 -8.901 1.00 0.00 O ATOM 0 H GLY A 108 10.111 1.059 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.454 1.414 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.735 -0.249 -6.856 1.00 0.00 H new ATOM 1779 N LEU A 109 11.036 0.808 -9.213 1.00 0.00 N ATOM 1780 CA LEU A 109 10.978 0.983 -10.675 1.00 0.00 C ATOM 1781 C LEU A 109 11.248 2.451 -11.092 1.00 0.00 C ATOM 1782 O LEU A 109 10.547 3.377 -10.663 1.00 0.00 O ATOM 1783 CB LEU A 109 9.603 0.501 -11.227 1.00 0.00 C ATOM 1784 CG LEU A 109 9.108 -0.906 -10.738 1.00 0.00 C ATOM 1785 CD1 LEU A 109 7.793 -1.312 -11.434 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.194 -2.000 -10.903 1.00 0.00 C ATOM 0 H LEU A 109 10.153 0.494 -8.811 1.00 0.00 H new ATOM 0 HA LEU A 109 11.767 0.370 -11.110 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.849 1.241 -10.958 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.659 0.484 -12.315 1.00 0.00 H new ATOM 0 HG LEU A 109 8.908 -0.817 -9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.478 -2.291 -11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.021 -0.576 -11.210 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.950 -1.356 -12.512 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.805 -2.955 -10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.468 -2.085 -11.955 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.074 -1.730 -10.319 1.00 0.00 H new ATOM 1798 N GLU A 110 12.282 2.617 -11.929 1.00 0.00 N ATOM 1799 CA GLU A 110 12.748 3.914 -12.485 1.00 0.00 C ATOM 1800 C GLU A 110 12.475 3.980 -14.013 1.00 0.00 C ATOM 1801 O GLU A 110 12.953 4.882 -14.716 1.00 0.00 O ATOM 1802 CB GLU A 110 14.258 4.042 -12.174 1.00 0.00 C ATOM 1803 CG GLU A 110 15.092 2.834 -12.657 1.00 0.00 C ATOM 1804 CD GLU A 110 16.533 2.835 -12.124 1.00 0.00 C ATOM 1805 OE1 GLU A 110 16.757 2.399 -10.972 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.450 3.282 -12.849 1.00 0.00 O ATOM 0 H GLU A 110 12.843 1.829 -12.254 1.00 0.00 H new ATOM 0 HA GLU A 110 12.207 4.745 -12.031 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.642 4.949 -12.642 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.391 4.158 -11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.598 1.913 -12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.116 2.831 -13.747 1.00 0.00 H new ATOM 1813 N GLU A 111 11.644 3.021 -14.467 1.00 0.00 N ATOM 1814 CA GLU A 111 11.245 2.912 -15.893 1.00 0.00 C ATOM 1815 C GLU A 111 9.951 2.099 -16.042 1.00 0.00 C ATOM 1816 O GLU A 111 9.596 1.315 -15.143 1.00 0.00 O ATOM 1817 CB GLU A 111 12.398 2.307 -16.738 1.00 0.00 C ATOM 1818 CG GLU A 111 12.924 0.946 -16.243 1.00 0.00 C ATOM 1819 CD GLU A 111 14.181 0.495 -17.000 1.00 0.00 C ATOM 1820 OE1 GLU A 111 15.281 1.017 -16.708 1.00 0.00 O ATOM 1821 OE2 GLU A 111 14.076 -0.372 -17.894 1.00 0.00 O ATOM 0 H GLU A 111 11.232 2.306 -13.867 1.00 0.00 H new ATOM 0 HA GLU A 111 11.045 3.915 -16.271 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.054 2.194 -17.766 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.226 3.015 -16.755 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.148 1.011 -15.178 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.144 0.194 -16.359 1.00 0.00 H new ATOM 1828 N MET A 112 9.218 2.335 -17.164 1.00 0.00 N ATOM 1829 CA MET A 112 7.932 1.678 -17.446 1.00 0.00 C ATOM 1830 C MET A 112 8.135 0.169 -17.658 1.00 0.00 C ATOM 1831 O MET A 112 8.800 -0.265 -18.604 1.00 0.00 O ATOM 1832 CB MET A 112 7.235 2.286 -18.691 1.00 0.00 C ATOM 1833 CG MET A 112 5.954 1.534 -19.106 1.00 0.00 C ATOM 1834 SD MET A 112 4.843 2.499 -20.146 1.00 0.00 S ATOM 1835 CE MET A 112 4.085 3.568 -18.919 1.00 0.00 C ATOM 0 H MET A 112 9.510 2.987 -17.892 1.00 0.00 H new ATOM 0 HA MET A 112 7.289 1.843 -16.581 1.00 0.00 H new ATOM 0 HB2 MET A 112 6.986 3.327 -18.486 1.00 0.00 H new ATOM 0 HB3 MET A 112 7.935 2.284 -19.527 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.235 0.625 -19.638 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.419 1.226 -18.208 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.001 3.470 -18.971 1.00 0.00 H new ATOM 0 HE2 MET A 112 4.428 3.281 -17.925 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.366 4.603 -19.115 1.00 0.00 H new ATOM 1845 N THR A 113 7.543 -0.594 -16.753 1.00 0.00 N ATOM 1846 CA THR A 113 7.737 -2.037 -16.687 1.00 0.00 C ATOM 1847 C THR A 113 6.517 -2.780 -17.277 1.00 0.00 C ATOM 1848 O THR A 113 5.445 -2.207 -17.353 1.00 0.00 O ATOM 1849 CB THR A 113 8.026 -2.456 -15.209 1.00 0.00 C ATOM 1850 OG1 THR A 113 8.986 -1.544 -14.633 1.00 0.00 O ATOM 1851 CG2 THR A 113 8.598 -3.876 -15.108 1.00 0.00 C ATOM 0 H THR A 113 6.911 -0.230 -16.040 1.00 0.00 H new ATOM 0 HA THR A 113 8.598 -2.319 -17.292 1.00 0.00 H new ATOM 0 HB THR A 113 7.077 -2.427 -14.674 1.00 0.00 H new ATOM 0 HG1 THR A 113 9.517 -2.013 -13.956 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.782 -4.121 -14.062 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.885 -4.586 -15.527 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.534 -3.932 -15.664 1.00 0.00 H new ATOM 1859 N GLY A 114 6.721 -4.028 -17.767 1.00 0.00 N ATOM 1860 CA GLY A 114 5.584 -4.939 -18.027 1.00 0.00 C ATOM 1861 C GLY A 114 5.769 -6.339 -17.465 1.00 0.00 C ATOM 1862 O GLY A 114 6.885 -6.753 -17.169 1.00 0.00 O ATOM 0 H GLY A 114 7.638 -4.417 -17.985 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.680 -4.505 -17.601 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.427 -5.009 -19.103 1.00 0.00 H new ATOM 1866 N PHE A 115 4.687 -7.136 -17.399 1.00 0.00 N ATOM 1867 CA PHE A 115 4.712 -8.472 -16.759 1.00 0.00 C ATOM 1868 C PHE A 115 3.575 -9.329 -17.348 1.00 0.00 C ATOM 1869 O PHE A 115 2.485 -8.790 -17.587 1.00 0.00 O ATOM 1870 CB PHE A 115 4.471 -8.375 -15.231 1.00 0.00 C ATOM 1871 CG PHE A 115 5.507 -7.601 -14.418 1.00 0.00 C ATOM 1872 CD1 PHE A 115 6.699 -8.199 -14.021 1.00 0.00 C ATOM 1873 CD2 PHE A 115 5.254 -6.292 -14.010 1.00 0.00 C ATOM 1874 CE1 PHE A 115 7.607 -7.515 -13.237 1.00 0.00 C ATOM 1875 CE2 PHE A 115 6.164 -5.605 -13.234 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.339 -6.220 -12.839 1.00 0.00 C ATOM 0 H PHE A 115 3.777 -6.879 -17.782 1.00 0.00 H new ATOM 0 HA PHE A 115 5.692 -8.911 -16.944 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.497 -7.912 -15.069 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.413 -9.387 -14.831 1.00 0.00 H new ATOM 0 HD1 PHE A 115 6.917 -9.211 -14.330 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.334 -5.810 -14.305 1.00 0.00 H new ATOM 0 HE1 PHE A 115 8.527 -7.993 -12.935 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.960 -4.588 -12.935 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.046 -5.688 -12.220 1.00 0.00 H new ATOM 1886 N SER A 116 3.827 -10.641 -17.602 1.00 0.00 N ATOM 1887 CA SER A 116 2.675 -11.564 -17.795 1.00 0.00 C ATOM 1888 C SER A 116 2.998 -13.065 -17.533 1.00 0.00 C ATOM 1889 O SER A 116 4.165 -13.498 -17.406 1.00 0.00 O ATOM 1890 CB SER A 116 2.144 -11.373 -19.251 1.00 0.00 C ATOM 1891 OG SER A 116 0.931 -12.070 -19.486 1.00 0.00 O ATOM 0 H SER A 116 4.753 -11.063 -17.675 1.00 0.00 H new ATOM 0 HA SER A 116 1.923 -11.304 -17.050 1.00 0.00 H new ATOM 0 HB2 SER A 116 1.991 -10.311 -19.441 1.00 0.00 H new ATOM 0 HB3 SER A 116 2.899 -11.718 -19.957 1.00 0.00 H new ATOM 0 HG SER A 116 0.361 -11.542 -20.083 1.00 0.00 H new ATOM 1897 N LYS A 117 1.901 -13.844 -17.508 1.00 0.00 N ATOM 1898 CA LYS A 117 1.899 -15.315 -17.423 1.00 0.00 C ATOM 1899 C LYS A 117 1.837 -15.916 -18.834 1.00 0.00 C ATOM 1900 O LYS A 117 2.053 -17.119 -19.032 1.00 0.00 O ATOM 1901 CB LYS A 117 0.675 -15.777 -16.589 1.00 0.00 C ATOM 1902 CG LYS A 117 0.656 -15.224 -15.148 1.00 0.00 C ATOM 1903 CD LYS A 117 1.672 -15.919 -14.214 1.00 0.00 C ATOM 1904 CE LYS A 117 1.275 -17.367 -13.881 1.00 0.00 C ATOM 1905 NZ LYS A 117 2.244 -18.003 -12.958 1.00 0.00 N ATOM 0 H LYS A 117 0.960 -13.453 -17.548 1.00 0.00 H new ATOM 0 HA LYS A 117 2.813 -15.656 -16.938 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -0.237 -15.467 -17.099 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.664 -16.866 -16.550 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.868 -14.155 -15.173 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.346 -15.340 -14.735 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.655 -15.915 -14.685 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.759 -15.348 -13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.283 -17.378 -13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.214 -17.948 -14.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.943 -18.978 -12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.186 -18.015 -13.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.284 -17.463 -12.070 1.00 0.00 H new ATOM 1919 N THR A 118 1.557 -15.041 -19.806 1.00 0.00 N ATOM 1920 CA THR A 118 1.343 -15.381 -21.205 1.00 0.00 C ATOM 1921 C THR A 118 2.353 -14.578 -22.039 1.00 0.00 C ATOM 1922 O THR A 118 2.730 -13.467 -21.650 1.00 0.00 O ATOM 1923 CB THR A 118 -0.132 -15.054 -21.638 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.470 -13.691 -21.327 1.00 0.00 O ATOM 1925 CG2 THR A 118 -1.155 -15.985 -20.963 1.00 0.00 C ATOM 0 H THR A 118 1.471 -14.041 -19.626 1.00 0.00 H new ATOM 0 HA THR A 118 1.492 -16.449 -21.363 1.00 0.00 H new ATOM 0 HB THR A 118 -0.177 -15.210 -22.716 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.149 -13.347 -20.650 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.160 -15.721 -21.293 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.943 -17.018 -21.237 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.088 -15.876 -19.881 1.00 0.00 H new ATOM 1933 N THR A 119 2.797 -15.140 -23.171 1.00 0.00 N ATOM 1934 CA THR A 119 3.905 -14.571 -23.960 1.00 0.00 C ATOM 1935 C THR A 119 3.535 -13.210 -24.602 1.00 0.00 C ATOM 1936 O THR A 119 2.367 -12.958 -24.932 1.00 0.00 O ATOM 1937 CB THR A 119 4.399 -15.580 -25.058 1.00 0.00 C ATOM 1938 OG1 THR A 119 5.601 -15.093 -25.683 1.00 0.00 O ATOM 1939 CG2 THR A 119 3.339 -15.858 -26.143 1.00 0.00 C ATOM 0 H THR A 119 2.404 -15.995 -23.566 1.00 0.00 H new ATOM 0 HA THR A 119 4.722 -14.390 -23.261 1.00 0.00 H new ATOM 0 HB THR A 119 4.595 -16.520 -24.543 1.00 0.00 H new ATOM 0 HG1 THR A 119 5.898 -15.733 -26.364 1.00 0.00 H new ATOM 0 HG21 THR A 119 3.740 -16.562 -26.872 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.448 -16.283 -25.681 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.078 -14.926 -26.644 1.00 0.00 H new ATOM 1947 N PHE A 120 4.544 -12.331 -24.720 1.00 0.00 N ATOM 1948 CA PHE A 120 4.455 -11.075 -25.471 1.00 0.00 C ATOM 1949 C PHE A 120 5.843 -10.758 -26.077 1.00 0.00 C ATOM 1950 O PHE A 120 5.983 -10.784 -27.317 1.00 0.00 O ATOM 1951 CB PHE A 120 3.893 -9.905 -24.607 1.00 0.00 C ATOM 1952 CG PHE A 120 4.625 -9.561 -23.302 1.00 0.00 C ATOM 1953 CD1 PHE A 120 4.554 -10.402 -22.196 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.359 -8.374 -23.179 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.190 -10.071 -21.018 1.00 0.00 C ATOM 1956 CE2 PHE A 120 5.987 -8.047 -22.002 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.906 -8.892 -20.920 1.00 0.00 C ATOM 1958 OXT PHE A 120 6.811 -10.563 -25.310 1.00 0.00 O ATOM 0 H PHE A 120 5.456 -12.478 -24.289 1.00 0.00 H new ATOM 0 HA PHE A 120 3.737 -11.193 -26.282 1.00 0.00 H new ATOM 0 HB2 PHE A 120 3.876 -9.009 -25.227 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.858 -10.140 -24.358 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.995 -11.324 -22.261 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.432 -7.705 -24.024 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.129 -10.735 -20.169 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.545 -7.125 -21.926 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.401 -8.635 -19.995 1.00 0.00 H new