USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 87 SER OG : rot 180:sc= 0.105 USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 4:sc= 0.819 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0.661 (180deg=0.11) USER MOD Single : A 16 ASN : amide:sc= -0.917! X(o=-0.92!,f=-0.89) USER MOD Single : A 18 ASN : amide:sc= -0.0576 K(o=-0.058,f=-0.96) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 73:sc= 0.148 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= 0.143! (180deg=-0.23!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.256 USER MOD Single : A 81 ASN : amide:sc= 1.22 K(o=1.2,f=0) USER MOD Single : A 92 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.1) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 152:sc= 1.27 (180deg=0.0453) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0.455 USER MOD Single : A 111 SER OG : rot 60:sc= 1.31 USER MOD Single : A 117 THR OG1 : rot -32:sc= 0.603 USER MOD Single : A 121 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-2.1!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl -161:sc= -0.988 (180deg=-1.79!) USER MOD Single : A 133 LYS NZ :NH3+ -158:sc= -0.0313 (180deg=-0.216) USER MOD Single : A 134 GLN : amide:sc= -1.17 X(o=-1.2,f=-1) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -173:sc= 0 (180deg=-0.0143) USER MOD Single : A 148 GLN : amide:sc= 1.21 K(o=1.2,f=-0.001) USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 8 -59.535 4.525 -56.231 1.00 17.93 N ATOM 109 CA SER A 8 -58.497 5.234 -55.500 1.00 18.07 C ATOM 110 C SER A 8 -57.436 4.255 -55.000 1.00 17.91 C ATOM 111 O SER A 8 -57.147 4.191 -53.804 1.00 17.61 O ATOM 112 CB SER A 8 -59.118 5.993 -54.326 1.00 18.00 C ATOM 113 OG SER A 8 -60.476 5.616 -54.137 1.00 17.96 O ATOM 0 HA SER A 8 -58.017 5.948 -56.169 1.00 18.07 H new ATOM 0 HB2 SER A 8 -58.551 5.791 -53.417 1.00 18.00 H new ATOM 0 HB3 SER A 8 -59.057 7.066 -54.509 1.00 18.00 H new ATOM 0 HG SER A 8 -60.706 4.897 -54.762 1.00 17.96 H new ATOM 119 N LEU A 9 -56.860 3.501 -55.931 1.00 18.20 N ATOM 120 CA LEU A 9 -55.884 2.467 -55.604 1.00 18.26 C ATOM 121 C LEU A 9 -54.717 3.032 -54.805 1.00 18.43 C ATOM 122 O LEU A 9 -54.304 2.442 -53.807 1.00 18.25 O ATOM 123 CB LEU A 9 -55.368 1.801 -56.881 1.00 18.77 C ATOM 124 CG LEU A 9 -55.849 0.367 -57.099 1.00 18.82 C ATOM 125 CD1 LEU A 9 -55.682 -0.037 -58.556 1.00 19.04 C ATOM 126 CD2 LEU A 9 -55.097 -0.589 -56.188 1.00 18.92 C ATOM 0 H LEU A 9 -57.055 3.589 -56.928 1.00 18.20 H new ATOM 0 HA LEU A 9 -56.386 1.722 -54.987 1.00 18.26 H new ATOM 0 HB2 LEU A 9 -55.672 2.405 -57.736 1.00 18.77 H new ATOM 0 HB3 LEU A 9 -54.278 1.804 -56.860 1.00 18.77 H new ATOM 0 HG LEU A 9 -56.909 0.317 -56.850 1.00 18.82 H new ATOM 0 HD11 LEU A 9 -56.030 -1.061 -58.692 1.00 19.04 H new ATOM 0 HD12 LEU A 9 -56.266 0.632 -59.188 1.00 19.04 H new ATOM 0 HD13 LEU A 9 -54.630 0.029 -58.833 1.00 19.04 H new ATOM 0 HD21 LEU A 9 -55.451 -1.606 -56.356 1.00 18.92 H new ATOM 0 HD22 LEU A 9 -54.030 -0.536 -56.406 1.00 18.92 H new ATOM 0 HD23 LEU A 9 -55.269 -0.312 -55.148 1.00 18.92 H new ATOM 138 N ASP A 10 -54.200 4.177 -55.240 1.00 18.85 N ATOM 139 CA ASP A 10 -53.077 4.822 -54.561 1.00 19.17 C ATOM 140 C ASP A 10 -53.412 5.103 -53.104 1.00 18.74 C ATOM 141 O ASP A 10 -52.631 4.792 -52.209 1.00 18.78 O ATOM 142 CB ASP A 10 -52.702 6.130 -55.261 1.00 19.78 C ATOM 143 CG ASP A 10 -51.492 6.798 -54.632 1.00 19.90 C ATOM 144 OD1 ASP A 10 -50.355 6.504 -55.052 1.00 19.72 O ATOM 145 OD2 ASP A 10 -51.675 7.612 -53.700 1.00 20.27 O ATOM 0 H ASP A 10 -54.540 4.679 -56.060 1.00 18.85 H new ATOM 0 HA ASP A 10 -52.229 4.139 -54.602 1.00 19.17 H new ATOM 0 HB2 ASP A 10 -52.497 5.930 -56.313 1.00 19.78 H new ATOM 0 HB3 ASP A 10 -53.550 6.814 -55.226 1.00 19.78 H new ATOM 150 N ASP A 11 -54.595 5.671 -52.879 1.00 18.38 N ATOM 151 CA ASP A 11 -55.056 5.995 -51.531 1.00 18.04 C ATOM 152 C ASP A 11 -55.032 4.757 -50.643 1.00 17.56 C ATOM 153 O ASP A 11 -54.593 4.809 -49.492 1.00 17.42 O ATOM 154 CB ASP A 11 -56.475 6.566 -51.582 1.00 17.93 C ATOM 155 CG ASP A 11 -56.792 7.446 -50.389 1.00 17.97 C ATOM 156 OD1 ASP A 11 -57.084 6.906 -49.301 1.00 18.05 O ATOM 157 OD2 ASP A 11 -56.759 8.686 -50.540 1.00 17.99 O ATOM 0 H ASP A 11 -55.255 5.917 -53.617 1.00 18.38 H new ATOM 0 HA ASP A 11 -54.383 6.742 -51.110 1.00 18.04 H new ATOM 0 HB2 ASP A 11 -56.597 7.144 -52.498 1.00 17.93 H new ATOM 0 HB3 ASP A 11 -57.192 5.746 -51.624 1.00 17.93 H new ATOM 162 N ILE A 12 -55.492 3.644 -51.201 1.00 17.40 N ATOM 163 CA ILE A 12 -55.499 2.373 -50.496 1.00 17.12 C ATOM 164 C ILE A 12 -54.081 1.886 -50.239 1.00 17.38 C ATOM 165 O ILE A 12 -53.746 1.508 -49.121 1.00 17.18 O ATOM 166 CB ILE A 12 -56.249 1.292 -51.288 1.00 17.14 C ATOM 167 CG1 ILE A 12 -57.650 1.785 -51.657 1.00 16.99 C ATOM 168 CG2 ILE A 12 -56.329 0.004 -50.479 1.00 17.02 C ATOM 169 CD1 ILE A 12 -58.204 1.155 -52.916 1.00 17.20 C ATOM 0 H ILE A 12 -55.868 3.599 -52.148 1.00 17.40 H new ATOM 0 HA ILE A 12 -56.010 2.543 -49.548 1.00 17.12 H new ATOM 0 HB ILE A 12 -55.702 1.086 -52.208 1.00 17.14 H new ATOM 0 HG12 ILE A 12 -58.328 1.578 -50.829 1.00 16.99 H new ATOM 0 HG13 ILE A 12 -57.623 2.867 -51.784 1.00 16.99 H new ATOM 0 HG21 ILE A 12 -56.863 -0.753 -51.053 1.00 17.02 H new ATOM 0 HG22 ILE A 12 -55.322 -0.351 -50.259 1.00 17.02 H new ATOM 0 HG23 ILE A 12 -56.859 0.193 -49.546 1.00 17.02 H new ATOM 0 HD11 ILE A 12 -59.199 1.553 -53.114 1.00 17.20 H new ATOM 0 HD12 ILE A 12 -57.548 1.383 -53.756 1.00 17.20 H new ATOM 0 HD13 ILE A 12 -58.264 0.074 -52.786 1.00 17.20 H new ATOM 181 N ILE A 13 -53.263 1.878 -51.286 1.00 17.90 N ATOM 182 CA ILE A 13 -51.854 1.490 -51.173 1.00 18.37 C ATOM 183 C ILE A 13 -51.164 2.264 -50.051 1.00 18.32 C ATOM 184 O ILE A 13 -50.478 1.681 -49.206 1.00 18.33 O ATOM 185 CB ILE A 13 -51.092 1.728 -52.495 1.00 19.08 C ATOM 186 CG1 ILE A 13 -51.642 0.823 -53.601 1.00 19.19 C ATOM 187 CG2 ILE A 13 -49.602 1.483 -52.308 1.00 19.74 C ATOM 188 CD1 ILE A 13 -51.287 1.288 -54.997 1.00 19.76 C ATOM 0 H ILE A 13 -53.550 2.137 -52.230 1.00 17.90 H new ATOM 0 HA ILE A 13 -51.835 0.424 -50.944 1.00 18.37 H new ATOM 0 HB ILE A 13 -51.237 2.767 -52.789 1.00 19.08 H new ATOM 0 HG12 ILE A 13 -51.260 -0.187 -53.456 1.00 19.19 H new ATOM 0 HG13 ILE A 13 -52.727 0.770 -53.510 1.00 19.19 H new ATOM 0 HG21 ILE A 13 -49.084 1.656 -53.251 1.00 19.74 H new ATOM 0 HG22 ILE A 13 -49.214 2.164 -51.550 1.00 19.74 H new ATOM 0 HG23 ILE A 13 -49.440 0.454 -51.988 1.00 19.74 H new ATOM 0 HD11 ILE A 13 -51.710 0.599 -55.728 1.00 19.76 H new ATOM 0 HD12 ILE A 13 -51.692 2.286 -55.162 1.00 19.76 H new ATOM 0 HD13 ILE A 13 -50.203 1.314 -55.107 1.00 19.76 H new ATOM 200 N LYS A 14 -51.354 3.576 -50.048 1.00 18.34 N ATOM 201 CA LYS A 14 -50.805 4.435 -49.005 1.00 18.38 C ATOM 202 C LYS A 14 -51.292 3.993 -47.630 1.00 17.73 C ATOM 203 O LYS A 14 -50.497 3.801 -46.705 1.00 17.76 O ATOM 204 CB LYS A 14 -51.224 5.882 -49.243 1.00 18.59 C ATOM 205 CG LYS A 14 -50.740 6.460 -50.560 1.00 19.27 C ATOM 206 CD LYS A 14 -49.230 6.620 -50.584 1.00 19.91 C ATOM 207 CE LYS A 14 -48.779 7.493 -51.747 1.00 20.52 C ATOM 208 NZ LYS A 14 -49.783 8.537 -52.086 1.00 21.03 N ATOM 0 H LYS A 14 -51.888 4.073 -50.761 1.00 18.34 H new ATOM 0 HA LYS A 14 -49.718 4.357 -49.040 1.00 18.38 H new ATOM 0 HB2 LYS A 14 -52.312 5.944 -49.210 1.00 18.59 H new ATOM 0 HB3 LYS A 14 -50.844 6.497 -48.427 1.00 18.59 H new ATOM 0 HG2 LYS A 14 -51.050 5.810 -51.378 1.00 19.27 H new ATOM 0 HG3 LYS A 14 -51.211 7.429 -50.727 1.00 19.27 H new ATOM 0 HD2 LYS A 14 -48.895 7.061 -49.645 1.00 19.91 H new ATOM 0 HD3 LYS A 14 -48.760 5.639 -50.661 1.00 19.91 H new ATOM 0 HE2 LYS A 14 -47.832 7.970 -51.495 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -48.599 6.867 -52.621 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -49.375 9.200 -52.775 1.00 21.03 H new ATOM 0 HZ2 LYS A 14 -50.627 8.087 -52.496 1.00 21.03 H new ATOM 0 HZ3 LYS A 14 -50.050 9.054 -51.224 1.00 21.03 H new ATOM 222 N LEU A 15 -52.604 3.819 -47.511 1.00 17.23 N ATOM 223 CA LEU A 15 -53.220 3.398 -46.259 1.00 16.69 C ATOM 224 C LEU A 15 -52.734 2.010 -45.865 1.00 16.61 C ATOM 225 O LEU A 15 -52.605 1.696 -44.683 1.00 16.40 O ATOM 226 CB LEU A 15 -54.743 3.398 -46.395 1.00 16.34 C ATOM 227 CG LEU A 15 -55.487 4.234 -45.354 1.00 16.28 C ATOM 228 CD1 LEU A 15 -56.611 5.020 -46.009 1.00 16.26 C ATOM 229 CD2 LEU A 15 -56.031 3.341 -44.250 1.00 16.28 C ATOM 0 H LEU A 15 -53.265 3.965 -48.274 1.00 17.23 H new ATOM 0 HA LEU A 15 -52.932 4.103 -45.479 1.00 16.69 H new ATOM 0 HB2 LEU A 15 -55.004 3.766 -47.387 1.00 16.34 H new ATOM 0 HB3 LEU A 15 -55.098 2.369 -46.333 1.00 16.34 H new ATOM 0 HG LEU A 15 -54.787 4.942 -44.911 1.00 16.28 H new ATOM 0 HD11 LEU A 15 -57.131 5.610 -45.254 1.00 16.26 H new ATOM 0 HD12 LEU A 15 -56.196 5.685 -46.767 1.00 16.26 H new ATOM 0 HD13 LEU A 15 -57.313 4.330 -46.477 1.00 16.26 H new ATOM 0 HD21 LEU A 15 -56.558 3.950 -43.516 1.00 16.28 H new ATOM 0 HD22 LEU A 15 -56.719 2.612 -44.678 1.00 16.28 H new ATOM 0 HD23 LEU A 15 -55.206 2.820 -43.764 1.00 16.28 H new ATOM 241 N ASN A 16 -52.452 1.191 -46.866 1.00 16.87 N ATOM 242 CA ASN A 16 -51.963 -0.159 -46.648 1.00 17.01 C ATOM 243 C ASN A 16 -50.624 -0.122 -45.934 1.00 17.40 C ATOM 244 O ASN A 16 -50.388 -0.874 -44.996 1.00 17.38 O ATOM 245 CB ASN A 16 -51.821 -0.903 -47.972 1.00 17.36 C ATOM 246 CG ASN A 16 -52.992 -1.821 -48.231 1.00 17.34 C ATOM 247 OD1 ASN A 16 -52.876 -3.041 -48.128 1.00 17.60 O ATOM 248 ND2 ASN A 16 -54.128 -1.239 -48.569 1.00 17.15 N ATOM 0 H ASN A 16 -52.556 1.443 -47.849 1.00 16.87 H new ATOM 0 HA ASN A 16 -52.687 -0.687 -46.027 1.00 17.01 H new ATOM 0 HB2 ASN A 16 -51.737 -0.183 -48.786 1.00 17.36 H new ATOM 0 HB3 ASN A 16 -50.899 -1.484 -47.965 1.00 17.36 H new ATOM 0 HD21 ASN A 16 -54.955 -1.806 -48.757 1.00 17.15 H new ATOM 0 HD22 ASN A 16 -54.178 -0.223 -48.642 1.00 17.15 H new ATOM 255 N ARG A 17 -49.759 0.781 -46.378 1.00 17.84 N ATOM 256 CA ARG A 17 -48.445 0.958 -45.772 1.00 18.36 C ATOM 257 C ARG A 17 -48.577 1.554 -44.374 1.00 18.04 C ATOM 258 O ARG A 17 -47.737 1.324 -43.505 1.00 18.25 O ATOM 259 CB ARG A 17 -47.582 1.873 -46.637 1.00 19.06 C ATOM 260 CG ARG A 17 -47.221 1.291 -47.992 1.00 19.37 C ATOM 261 CD ARG A 17 -47.246 2.355 -49.079 1.00 19.91 C ATOM 262 NE ARG A 17 -46.817 3.666 -48.588 1.00 20.74 N ATOM 263 CZ ARG A 17 -46.465 4.682 -49.376 1.00 21.41 C ATOM 264 NH1 ARG A 17 -46.436 4.528 -50.696 1.00 21.38 N ATOM 265 NH2 ARG A 17 -46.128 5.848 -48.839 1.00 22.20 N ATOM 0 H ARG A 17 -49.946 1.407 -47.162 1.00 17.84 H new ATOM 0 HA ARG A 17 -47.969 -0.020 -45.698 1.00 18.36 H new ATOM 0 HB2 ARG A 17 -48.109 2.815 -46.788 1.00 19.06 H new ATOM 0 HB3 ARG A 17 -46.664 2.104 -46.097 1.00 19.06 H new ATOM 0 HG2 ARG A 17 -46.229 0.842 -47.944 1.00 19.37 H new ATOM 0 HG3 ARG A 17 -47.920 0.494 -48.245 1.00 19.37 H new ATOM 0 HD2 ARG A 17 -46.597 2.047 -49.899 1.00 19.91 H new ATOM 0 HD3 ARG A 17 -48.255 2.434 -49.483 1.00 19.91 H new ATOM 0 HE ARG A 17 -46.785 3.811 -47.579 1.00 20.74 H new ATOM 0 HH11 ARG A 17 -46.684 3.629 -51.110 1.00 21.38 H new ATOM 0 HH12 ARG A 17 -46.166 5.308 -51.295 1.00 21.38 H new ATOM 0 HH21 ARG A 17 -46.139 5.965 -47.826 1.00 22.20 H new ATOM 0 HH22 ARG A 17 -45.858 6.627 -49.440 1.00 22.20 H new ATOM 279 N ASN A 18 -49.637 2.328 -44.174 1.00 17.62 N ATOM 280 CA ASN A 18 -49.908 2.955 -42.882 1.00 17.37 C ATOM 281 C ASN A 18 -50.391 1.921 -41.871 1.00 16.66 C ATOM 282 O ASN A 18 -50.319 2.134 -40.661 1.00 16.34 O ATOM 283 CB ASN A 18 -50.964 4.050 -43.040 1.00 17.47 C ATOM 284 CG ASN A 18 -50.707 5.254 -42.155 1.00 17.64 C ATOM 285 OD1 ASN A 18 -49.933 5.195 -41.199 1.00 17.99 O ATOM 286 ND2 ASN A 18 -51.348 6.366 -42.479 1.00 17.50 N ATOM 0 H ASN A 18 -50.328 2.539 -44.894 1.00 17.62 H new ATOM 0 HA ASN A 18 -48.981 3.396 -42.516 1.00 17.37 H new ATOM 0 HB2 ASN A 18 -50.993 4.371 -44.081 1.00 17.47 H new ATOM 0 HB3 ASN A 18 -51.945 3.637 -42.806 1.00 17.47 H new ATOM 0 HD21 ASN A 18 -51.209 7.214 -41.929 1.00 17.50 H new ATOM 0 HD22 ASN A 18 -51.981 6.375 -43.279 1.00 17.50 H new ATOM 700 N ALA A 44 -27.801 7.537 -9.592 1.00 11.18 N ATOM 701 CA ALA A 44 -28.731 7.902 -8.545 1.00 10.95 C ATOM 702 C ALA A 44 -29.459 6.669 -8.023 1.00 11.14 C ATOM 703 O ALA A 44 -30.003 5.891 -8.804 1.00 11.37 O ATOM 704 CB ALA A 44 -29.728 8.924 -9.065 1.00 10.91 C ATOM 0 HA ALA A 44 -28.171 8.345 -7.721 1.00 10.95 H new ATOM 0 HB1 ALA A 44 -30.423 9.192 -8.269 1.00 10.91 H new ATOM 0 HB2 ALA A 44 -29.196 9.815 -9.397 1.00 10.91 H new ATOM 0 HB3 ALA A 44 -30.281 8.499 -9.902 1.00 10.91 H new ATOM 710 N PRO A 45 -29.446 6.463 -6.698 1.00 11.20 N ATOM 711 CA PRO A 45 -30.208 5.387 -6.048 1.00 11.61 C ATOM 712 C PRO A 45 -31.699 5.478 -6.358 1.00 11.90 C ATOM 713 O PRO A 45 -32.389 4.469 -6.487 1.00 12.39 O ATOM 714 CB PRO A 45 -29.965 5.635 -4.558 1.00 11.62 C ATOM 715 CG PRO A 45 -28.674 6.373 -4.503 1.00 11.27 C ATOM 716 CD PRO A 45 -28.657 7.240 -5.727 1.00 11.04 C ATOM 0 HA PRO A 45 -29.897 4.399 -6.388 1.00 11.61 H new ATOM 0 HB2 PRO A 45 -30.773 6.218 -4.117 1.00 11.62 H new ATOM 0 HB3 PRO A 45 -29.909 4.698 -4.005 1.00 11.62 H new ATOM 0 HG2 PRO A 45 -28.603 6.973 -3.596 1.00 11.27 H new ATOM 0 HG3 PRO A 45 -27.828 5.685 -4.497 1.00 11.27 H new ATOM 0 HD2 PRO A 45 -29.102 8.216 -5.535 1.00 11.04 H new ATOM 0 HD3 PRO A 45 -27.642 7.416 -6.082 1.00 11.04 H new ATOM 724 N TYR A 46 -32.181 6.707 -6.469 1.00 11.78 N ATOM 725 CA TYR A 46 -33.574 6.970 -6.783 1.00 12.25 C ATOM 726 C TYR A 46 -33.663 8.195 -7.691 1.00 12.17 C ATOM 727 O TYR A 46 -32.893 8.311 -8.645 1.00 12.24 O ATOM 728 CB TYR A 46 -34.377 7.173 -5.490 1.00 12.71 C ATOM 729 CG TYR A 46 -35.774 6.584 -5.529 1.00 13.40 C ATOM 730 CD1 TYR A 46 -36.311 6.109 -6.717 1.00 13.96 C ATOM 731 CD2 TYR A 46 -36.557 6.512 -4.382 1.00 13.66 C ATOM 732 CE1 TYR A 46 -37.586 5.577 -6.764 1.00 14.73 C ATOM 733 CE2 TYR A 46 -37.831 5.979 -4.419 1.00 14.45 C ATOM 734 CZ TYR A 46 -38.335 5.497 -5.587 1.00 14.98 C ATOM 735 OH TYR A 46 -39.615 4.987 -5.655 1.00 15.86 O ATOM 0 H TYR A 46 -31.617 7.548 -6.344 1.00 11.78 H new ATOM 0 HA TYR A 46 -34.003 6.117 -7.309 1.00 12.25 H new ATOM 0 HB2 TYR A 46 -33.829 6.726 -4.661 1.00 12.71 H new ATOM 0 HB3 TYR A 46 -34.450 8.241 -5.285 1.00 12.71 H new ATOM 0 HD1 TYR A 46 -35.722 6.156 -7.621 1.00 13.96 H new ATOM 0 HD2 TYR A 46 -36.162 6.879 -3.446 1.00 13.66 H new ATOM 0 HE1 TYR A 46 -37.998 5.227 -7.699 1.00 14.73 H new ATOM 0 HE2 TYR A 46 -38.428 5.945 -3.519 1.00 14.45 H new ATOM 0 HH TYR A 46 -40.016 4.990 -4.761 1.00 15.86 H new ATOM 745 N SER A 47 -34.580 9.107 -7.400 1.00 12.21 N ATOM 746 CA SER A 47 -34.695 10.344 -8.156 1.00 12.38 C ATOM 747 C SER A 47 -33.468 11.228 -7.934 1.00 11.92 C ATOM 748 O SER A 47 -32.990 11.898 -8.851 1.00 11.98 O ATOM 749 CB SER A 47 -35.962 11.075 -7.725 1.00 12.96 C ATOM 750 OG SER A 47 -36.582 10.396 -6.642 1.00 13.21 O ATOM 0 H SER A 47 -35.257 9.012 -6.643 1.00 12.21 H new ATOM 0 HA SER A 47 -34.752 10.112 -9.219 1.00 12.38 H new ATOM 0 HB2 SER A 47 -35.718 12.096 -7.431 1.00 12.96 H new ATOM 0 HB3 SER A 47 -36.654 11.142 -8.564 1.00 12.96 H new ATOM 0 HG SER A 47 -36.056 10.533 -5.826 1.00 13.21 H new ATOM 756 N ARG A 48 -32.955 11.208 -6.713 1.00 11.60 N ATOM 757 CA ARG A 48 -31.799 12.009 -6.352 1.00 11.33 C ATOM 758 C ARG A 48 -30.894 11.224 -5.405 1.00 10.91 C ATOM 759 O ARG A 48 -31.370 10.636 -4.435 1.00 10.95 O ATOM 760 CB ARG A 48 -32.255 13.319 -5.697 1.00 11.76 C ATOM 761 CG ARG A 48 -31.139 14.096 -5.016 1.00 12.38 C ATOM 762 CD ARG A 48 -30.928 15.456 -5.658 1.00 12.85 C ATOM 763 NE ARG A 48 -31.879 16.453 -5.166 1.00 12.95 N ATOM 764 CZ ARG A 48 -31.678 17.216 -4.091 1.00 13.65 C ATOM 765 NH1 ARG A 48 -30.567 17.093 -3.376 1.00 14.27 N ATOM 766 NH2 ARG A 48 -32.593 18.102 -3.722 1.00 13.88 N ATOM 0 H ARG A 48 -33.326 10.640 -5.951 1.00 11.60 H new ATOM 0 HA ARG A 48 -31.234 12.248 -7.253 1.00 11.33 H new ATOM 0 HB2 ARG A 48 -32.712 13.952 -6.457 1.00 11.76 H new ATOM 0 HB3 ARG A 48 -33.028 13.095 -4.962 1.00 11.76 H new ATOM 0 HG2 ARG A 48 -31.377 14.225 -3.960 1.00 12.38 H new ATOM 0 HG3 ARG A 48 -30.213 13.523 -5.066 1.00 12.38 H new ATOM 0 HD2 ARG A 48 -29.912 15.796 -5.459 1.00 12.85 H new ATOM 0 HD3 ARG A 48 -31.027 15.365 -6.740 1.00 12.85 H new ATOM 0 HE ARG A 48 -32.753 16.572 -5.679 1.00 12.95 H new ATOM 0 HH11 ARG A 48 -29.859 16.411 -3.647 1.00 14.27 H new ATOM 0 HH12 ARG A 48 -30.421 17.681 -2.555 1.00 14.27 H new ATOM 0 HH21 ARG A 48 -33.453 18.201 -4.261 1.00 13.88 H new ATOM 0 HH22 ARG A 48 -32.437 18.684 -2.899 1.00 13.88 H new ATOM 780 N PRO A 49 -29.586 11.170 -5.700 1.00 10.69 N ATOM 781 CA PRO A 49 -28.601 10.545 -4.817 1.00 10.51 C ATOM 782 C PRO A 49 -28.512 11.266 -3.481 1.00 10.52 C ATOM 783 O PRO A 49 -28.659 12.487 -3.414 1.00 10.80 O ATOM 784 CB PRO A 49 -27.275 10.682 -5.576 1.00 10.63 C ATOM 785 CG PRO A 49 -27.655 10.969 -6.986 1.00 10.68 C ATOM 786 CD PRO A 49 -28.967 11.695 -6.926 1.00 10.80 C ATOM 0 HA PRO A 49 -28.861 9.512 -4.588 1.00 10.51 H new ATOM 0 HB2 PRO A 49 -26.666 11.486 -5.162 1.00 10.63 H new ATOM 0 HB3 PRO A 49 -26.686 9.768 -5.506 1.00 10.63 H new ATOM 0 HG2 PRO A 49 -26.896 11.577 -7.478 1.00 10.68 H new ATOM 0 HG3 PRO A 49 -27.746 10.047 -7.560 1.00 10.68 H new ATOM 0 HD2 PRO A 49 -28.828 12.775 -6.876 1.00 10.80 H new ATOM 0 HD3 PRO A 49 -29.580 11.493 -7.805 1.00 10.80 H new ATOM 794 N LYS A 50 -28.291 10.516 -2.415 1.00 10.36 N ATOM 795 CA LYS A 50 -28.152 11.109 -1.097 1.00 10.37 C ATOM 796 C LYS A 50 -26.702 11.039 -0.641 1.00 10.32 C ATOM 797 O LYS A 50 -26.047 10.007 -0.796 1.00 10.35 O ATOM 798 CB LYS A 50 -29.067 10.415 -0.078 1.00 10.47 C ATOM 799 CG LYS A 50 -29.099 8.897 -0.193 1.00 10.65 C ATOM 800 CD LYS A 50 -30.347 8.317 0.457 1.00 10.86 C ATOM 801 CE LYS A 50 -30.240 8.311 1.978 1.00 11.05 C ATOM 802 NZ LYS A 50 -31.235 9.213 2.609 1.00 11.40 N ATOM 0 H LYS A 50 -28.204 9.500 -2.436 1.00 10.36 H new ATOM 0 HA LYS A 50 -28.453 12.155 -1.161 1.00 10.37 H new ATOM 0 HB2 LYS A 50 -28.742 10.684 0.927 1.00 10.47 H new ATOM 0 HB3 LYS A 50 -30.080 10.798 -0.198 1.00 10.47 H new ATOM 0 HG2 LYS A 50 -29.067 8.609 -1.244 1.00 10.65 H new ATOM 0 HG3 LYS A 50 -28.212 8.476 0.280 1.00 10.65 H new ATOM 0 HD2 LYS A 50 -31.218 8.899 0.156 1.00 10.86 H new ATOM 0 HD3 LYS A 50 -30.504 7.299 0.099 1.00 10.86 H new ATOM 0 HE2 LYS A 50 -30.385 7.296 2.348 1.00 11.05 H new ATOM 0 HE3 LYS A 50 -29.236 8.617 2.272 1.00 11.05 H new ATOM 0 HZ1 LYS A 50 -31.128 9.179 3.643 1.00 11.40 H new ATOM 0 HZ2 LYS A 50 -31.081 10.186 2.277 1.00 11.40 H new ATOM 0 HZ3 LYS A 50 -32.195 8.907 2.350 1.00 11.40 H new ATOM 816 N PRO A 51 -26.179 12.143 -0.089 1.00 10.48 N ATOM 817 CA PRO A 51 -24.799 12.210 0.406 1.00 10.66 C ATOM 818 C PRO A 51 -24.610 11.409 1.689 1.00 10.49 C ATOM 819 O PRO A 51 -23.495 11.256 2.187 1.00 10.76 O ATOM 820 CB PRO A 51 -24.589 13.700 0.670 1.00 11.11 C ATOM 821 CG PRO A 51 -25.955 14.235 0.932 1.00 11.13 C ATOM 822 CD PRO A 51 -26.890 13.425 0.081 1.00 10.75 C ATOM 0 HA PRO A 51 -24.088 11.787 -0.303 1.00 10.66 H new ATOM 0 HB2 PRO A 51 -23.930 13.862 1.523 1.00 11.11 H new ATOM 0 HB3 PRO A 51 -24.128 14.193 -0.186 1.00 11.11 H new ATOM 0 HG2 PRO A 51 -26.213 14.146 1.987 1.00 11.13 H new ATOM 0 HG3 PRO A 51 -26.014 15.293 0.678 1.00 11.13 H new ATOM 0 HD2 PRO A 51 -27.856 13.287 0.566 1.00 10.75 H new ATOM 0 HD3 PRO A 51 -27.081 13.908 -0.877 1.00 10.75 H new ATOM 1136 N GLY A 74 -4.285 6.503 -7.865 1.00 10.27 N ATOM 1137 CA GLY A 74 -3.808 7.550 -6.988 1.00 10.44 C ATOM 1138 C GLY A 74 -2.301 7.595 -6.836 1.00 10.53 C ATOM 1139 O GLY A 74 -1.600 8.159 -7.677 1.00 10.94 O ATOM 0 HA2 GLY A 74 -4.152 8.512 -7.368 1.00 10.44 H new ATOM 0 HA3 GLY A 74 -4.257 7.417 -6.004 1.00 10.44 H new ATOM 1143 N ALA A 75 -1.801 7.001 -5.762 1.00 10.31 N ATOM 1144 CA ALA A 75 -0.426 7.215 -5.344 1.00 10.45 C ATOM 1145 C ALA A 75 0.390 5.930 -5.338 1.00 10.02 C ATOM 1146 O ALA A 75 0.088 4.993 -4.596 1.00 9.68 O ATOM 1147 CB ALA A 75 -0.426 7.835 -3.960 1.00 10.74 C ATOM 0 H ALA A 75 -2.330 6.366 -5.164 1.00 10.31 H new ATOM 0 HA ALA A 75 0.045 7.883 -6.065 1.00 10.45 H new ATOM 0 HB1 ALA A 75 0.601 8.000 -3.635 1.00 10.74 H new ATOM 0 HB2 ALA A 75 -0.955 8.787 -3.988 1.00 10.74 H new ATOM 0 HB3 ALA A 75 -0.924 7.163 -3.260 1.00 10.74 H new ATOM 1153 N LYS A 76 1.426 5.893 -6.167 1.00 10.22 N ATOM 1154 CA LYS A 76 2.337 4.757 -6.213 1.00 9.99 C ATOM 1155 C LYS A 76 3.648 5.073 -5.492 1.00 10.09 C ATOM 1156 O LYS A 76 4.353 6.017 -5.838 1.00 10.63 O ATOM 1157 CB LYS A 76 2.608 4.377 -7.674 1.00 10.41 C ATOM 1158 CG LYS A 76 3.993 3.798 -7.926 1.00 10.50 C ATOM 1159 CD LYS A 76 4.213 3.525 -9.403 1.00 11.20 C ATOM 1160 CE LYS A 76 3.363 2.362 -9.879 1.00 11.56 C ATOM 1161 NZ LYS A 76 3.973 1.057 -9.533 1.00 11.62 N ATOM 0 H LYS A 76 1.657 6.642 -6.820 1.00 10.22 H new ATOM 0 HA LYS A 76 1.871 3.915 -5.701 1.00 9.99 H new ATOM 0 HB2 LYS A 76 1.860 3.651 -7.993 1.00 10.41 H new ATOM 0 HB3 LYS A 76 2.478 5.262 -8.297 1.00 10.41 H new ATOM 0 HG2 LYS A 76 4.752 4.492 -7.565 1.00 10.50 H new ATOM 0 HG3 LYS A 76 4.112 2.874 -7.361 1.00 10.50 H new ATOM 0 HD2 LYS A 76 3.970 4.417 -9.980 1.00 11.20 H new ATOM 0 HD3 LYS A 76 5.266 3.307 -9.582 1.00 11.20 H new ATOM 0 HE2 LYS A 76 2.371 2.430 -9.432 1.00 11.56 H new ATOM 0 HE3 LYS A 76 3.231 2.427 -10.959 1.00 11.56 H new ATOM 0 HZ1 LYS A 76 3.650 0.333 -10.207 1.00 11.62 H new ATOM 0 HZ2 LYS A 76 5.009 1.135 -9.579 1.00 11.62 H new ATOM 0 HZ3 LYS A 76 3.689 0.785 -8.570 1.00 11.62 H new ATOM 1175 N LEU A 77 3.949 4.283 -4.478 1.00 9.69 N ATOM 1176 CA LEU A 77 5.168 4.427 -3.692 1.00 9.77 C ATOM 1177 C LEU A 77 6.106 3.268 -3.995 1.00 9.68 C ATOM 1178 O LEU A 77 5.681 2.123 -3.973 1.00 9.42 O ATOM 1179 CB LEU A 77 4.766 4.437 -2.195 1.00 9.58 C ATOM 1180 CG LEU A 77 5.853 4.195 -1.113 1.00 9.63 C ATOM 1181 CD1 LEU A 77 6.334 2.752 -1.067 1.00 9.26 C ATOM 1182 CD2 LEU A 77 7.025 5.150 -1.280 1.00 10.17 C ATOM 0 H LEU A 77 3.351 3.516 -4.171 1.00 9.69 H new ATOM 0 HA LEU A 77 5.688 5.353 -3.938 1.00 9.77 H new ATOM 0 HB2 LEU A 77 4.306 5.403 -1.986 1.00 9.58 H new ATOM 0 HB3 LEU A 77 3.994 3.680 -2.058 1.00 9.58 H new ATOM 0 HG LEU A 77 5.376 4.398 -0.154 1.00 9.63 H new ATOM 0 HD11 LEU A 77 7.093 2.646 -0.292 1.00 9.26 H new ATOM 0 HD12 LEU A 77 5.493 2.095 -0.844 1.00 9.26 H new ATOM 0 HD13 LEU A 77 6.761 2.480 -2.032 1.00 9.26 H new ATOM 0 HD21 LEU A 77 7.768 4.953 -0.507 1.00 10.17 H new ATOM 0 HD22 LEU A 77 7.476 5.004 -2.262 1.00 10.17 H new ATOM 0 HD23 LEU A 77 6.672 6.178 -1.192 1.00 10.17 H new ATOM 1194 N LEU A 78 7.361 3.542 -4.296 1.00 10.10 N ATOM 1195 CA LEU A 78 8.347 2.476 -4.302 1.00 10.21 C ATOM 1196 C LEU A 78 9.393 2.716 -3.222 1.00 10.19 C ATOM 1197 O LEU A 78 9.554 3.841 -2.739 1.00 10.62 O ATOM 1198 CB LEU A 78 8.998 2.289 -5.677 1.00 10.97 C ATOM 1199 CG LEU A 78 9.541 3.543 -6.353 1.00 11.03 C ATOM 1200 CD1 LEU A 78 11.014 3.731 -6.014 1.00 11.63 C ATOM 1201 CD2 LEU A 78 9.352 3.436 -7.853 1.00 10.95 C ATOM 0 H LEU A 78 7.717 4.468 -4.534 1.00 10.10 H new ATOM 0 HA LEU A 78 7.824 1.546 -4.080 1.00 10.21 H new ATOM 0 HB2 LEU A 78 9.817 1.577 -5.572 1.00 10.97 H new ATOM 0 HB3 LEU A 78 8.264 1.834 -6.342 1.00 10.97 H new ATOM 0 HG LEU A 78 8.993 4.411 -5.988 1.00 11.03 H new ATOM 0 HD11 LEU A 78 11.388 4.630 -6.504 1.00 11.63 H new ATOM 0 HD12 LEU A 78 11.129 3.831 -4.935 1.00 11.63 H new ATOM 0 HD13 LEU A 78 11.580 2.867 -6.361 1.00 11.63 H new ATOM 0 HD21 LEU A 78 9.741 4.334 -8.334 1.00 10.95 H new ATOM 0 HD22 LEU A 78 9.888 2.563 -8.226 1.00 10.95 H new ATOM 0 HD23 LEU A 78 8.291 3.334 -8.080 1.00 10.95 H new ATOM 1213 N VAL A 79 10.137 1.666 -2.904 1.00 9.81 N ATOM 1214 CA VAL A 79 11.002 1.645 -1.726 1.00 9.81 C ATOM 1215 C VAL A 79 12.081 0.595 -1.915 1.00 10.08 C ATOM 1216 O VAL A 79 11.806 -0.594 -1.801 1.00 10.09 O ATOM 1217 CB VAL A 79 10.228 1.297 -0.433 1.00 9.37 C ATOM 1218 CG1 VAL A 79 9.715 2.540 0.266 1.00 9.42 C ATOM 1219 CG2 VAL A 79 9.086 0.350 -0.735 1.00 9.16 C ATOM 0 H VAL A 79 10.160 0.806 -3.451 1.00 9.81 H new ATOM 0 HA VAL A 79 11.424 2.645 -1.621 1.00 9.81 H new ATOM 0 HB VAL A 79 10.926 0.803 0.243 1.00 9.37 H new ATOM 0 HG11 VAL A 79 9.177 2.253 1.170 1.00 9.42 H new ATOM 0 HG12 VAL A 79 10.556 3.181 0.532 1.00 9.42 H new ATOM 0 HG13 VAL A 79 9.043 3.081 -0.400 1.00 9.42 H new ATOM 0 HG21 VAL A 79 8.553 0.117 0.187 1.00 9.16 H new ATOM 0 HG22 VAL A 79 8.401 0.819 -1.441 1.00 9.16 H new ATOM 0 HG23 VAL A 79 9.480 -0.569 -1.169 1.00 9.16 H new ATOM 1229 N SER A 80 13.293 1.011 -2.229 1.00 10.48 N ATOM 1230 CA SER A 80 14.354 0.047 -2.469 1.00 10.87 C ATOM 1231 C SER A 80 15.635 0.359 -1.709 1.00 10.93 C ATOM 1232 O SER A 80 16.202 1.443 -1.826 1.00 11.28 O ATOM 1233 CB SER A 80 14.656 -0.038 -3.964 1.00 11.70 C ATOM 1234 OG SER A 80 13.598 0.527 -4.725 1.00 11.92 O ATOM 0 H SER A 80 13.566 1.989 -2.323 1.00 10.48 H new ATOM 0 HA SER A 80 13.989 -0.911 -2.099 1.00 10.87 H new ATOM 0 HB2 SER A 80 15.587 0.486 -4.182 1.00 11.70 H new ATOM 0 HB3 SER A 80 14.801 -1.079 -4.252 1.00 11.70 H new ATOM 0 HG SER A 80 13.812 0.464 -5.679 1.00 11.92 H new ATOM 1240 N ASN A 81 16.065 -0.606 -0.913 1.00 10.71 N ATOM 1241 CA ASN A 81 17.420 -0.626 -0.390 1.00 10.82 C ATOM 1242 C ASN A 81 18.317 -1.237 -1.461 1.00 11.07 C ATOM 1243 O ASN A 81 19.504 -0.926 -1.572 1.00 11.33 O ATOM 1244 CB ASN A 81 17.485 -1.445 0.908 1.00 10.85 C ATOM 1245 CG ASN A 81 18.824 -2.136 1.115 1.00 11.09 C ATOM 1246 OD1 ASN A 81 19.822 -1.496 1.445 1.00 11.13 O ATOM 1247 ND2 ASN A 81 18.852 -3.449 0.927 1.00 11.43 N ATOM 0 H ASN A 81 15.489 -1.392 -0.613 1.00 10.71 H new ATOM 0 HA ASN A 81 17.752 0.384 -0.151 1.00 10.82 H new ATOM 0 HB2 ASN A 81 17.288 -0.788 1.755 1.00 10.85 H new ATOM 0 HB3 ASN A 81 16.694 -2.195 0.896 1.00 10.85 H new ATOM 0 HD21 ASN A 81 19.723 -3.964 1.056 1.00 11.43 H new ATOM 0 HD22 ASN A 81 18.003 -3.943 0.654 1.00 11.43 H new ATOM 1254 N LEU A 82 17.705 -2.100 -2.267 1.00 11.17 N ATOM 1255 CA LEU A 82 18.384 -2.739 -3.378 1.00 11.63 C ATOM 1256 C LEU A 82 17.649 -2.453 -4.683 1.00 11.86 C ATOM 1257 O LEU A 82 17.842 -1.395 -5.282 1.00 12.01 O ATOM 1258 CB LEU A 82 18.482 -4.246 -3.152 1.00 12.01 C ATOM 1259 CG LEU A 82 19.852 -4.862 -3.437 1.00 12.36 C ATOM 1260 CD1 LEU A 82 20.146 -4.849 -4.929 1.00 12.48 C ATOM 1261 CD2 LEU A 82 20.936 -4.125 -2.671 1.00 12.61 C ATOM 0 H LEU A 82 16.727 -2.372 -2.165 1.00 11.17 H new ATOM 0 HA LEU A 82 19.392 -2.331 -3.444 1.00 11.63 H new ATOM 0 HB2 LEU A 82 18.214 -4.460 -2.117 1.00 12.01 H new ATOM 0 HB3 LEU A 82 17.742 -4.740 -3.781 1.00 12.01 H new ATOM 0 HG LEU A 82 19.839 -5.899 -3.102 1.00 12.36 H new ATOM 0 HD11 LEU A 82 21.125 -5.292 -5.111 1.00 12.48 H new ATOM 0 HD12 LEU A 82 19.384 -5.425 -5.455 1.00 12.48 H new ATOM 0 HD13 LEU A 82 20.139 -3.821 -5.292 1.00 12.48 H new ATOM 0 HD21 LEU A 82 21.904 -4.577 -2.886 1.00 12.61 H new ATOM 0 HD22 LEU A 82 20.949 -3.078 -2.975 1.00 12.61 H new ATOM 0 HD23 LEU A 82 20.734 -4.190 -1.602 1.00 12.61 H new ATOM 1273 N ASP A 83 16.795 -3.384 -5.114 1.00 12.07 N ATOM 1274 CA ASP A 83 16.099 -3.231 -6.390 1.00 12.45 C ATOM 1275 C ASP A 83 14.738 -3.947 -6.429 1.00 12.57 C ATOM 1276 O ASP A 83 13.847 -3.501 -7.151 1.00 13.12 O ATOM 1277 CB ASP A 83 16.991 -3.698 -7.547 1.00 12.62 C ATOM 1278 CG ASP A 83 16.918 -5.188 -7.794 1.00 13.10 C ATOM 1279 OD1 ASP A 83 17.258 -5.965 -6.875 1.00 13.12 O ATOM 1280 OD2 ASP A 83 16.533 -5.589 -8.917 1.00 13.59 O ATOM 0 H ASP A 83 16.572 -4.240 -4.605 1.00 12.07 H new ATOM 0 HA ASP A 83 15.889 -2.168 -6.504 1.00 12.45 H new ATOM 0 HB2 ASP A 83 16.701 -3.171 -8.456 1.00 12.62 H new ATOM 0 HB3 ASP A 83 18.024 -3.422 -7.335 1.00 12.62 H new ATOM 1285 N PHE A 84 14.556 -5.032 -5.652 1.00 12.22 N ATOM 1286 CA PHE A 84 13.259 -5.717 -5.578 1.00 12.46 C ATOM 1287 C PHE A 84 13.284 -6.854 -4.542 1.00 12.41 C ATOM 1288 O PHE A 84 13.856 -7.911 -4.776 1.00 12.73 O ATOM 1289 CB PHE A 84 12.800 -6.209 -6.977 1.00 12.51 C ATOM 1290 CG PHE A 84 13.438 -7.473 -7.504 1.00 12.50 C ATOM 1291 CD1 PHE A 84 14.808 -7.647 -7.406 1.00 12.45 C ATOM 1292 CD2 PHE A 84 12.684 -8.483 -8.079 1.00 12.69 C ATOM 1293 CE1 PHE A 84 15.411 -8.799 -7.872 1.00 12.59 C ATOM 1294 CE2 PHE A 84 13.281 -9.635 -8.547 1.00 12.83 C ATOM 1295 CZ PHE A 84 14.583 -9.801 -8.502 1.00 12.79 C ATOM 0 H PHE A 84 15.286 -5.447 -5.073 1.00 12.22 H new ATOM 0 HA PHE A 84 12.518 -4.994 -5.237 1.00 12.46 H new ATOM 0 HB2 PHE A 84 11.721 -6.362 -6.945 1.00 12.51 H new ATOM 0 HB3 PHE A 84 12.987 -5.410 -7.695 1.00 12.51 H new ATOM 0 HD1 PHE A 84 15.413 -6.872 -6.959 1.00 12.45 H new ATOM 0 HD2 PHE A 84 11.613 -8.367 -8.162 1.00 12.69 H new ATOM 0 HE1 PHE A 84 16.476 -8.947 -7.768 1.00 12.59 H new ATOM 0 HE2 PHE A 84 12.663 -10.419 -8.960 1.00 12.83 H new ATOM 0 HZ PHE A 84 15.033 -10.683 -8.934 1.00 12.79 H new ATOM 1305 N GLY A 85 12.718 -6.621 -3.351 1.00 12.18 N ATOM 1306 CA GLY A 85 12.636 -7.714 -2.387 1.00 12.33 C ATOM 1307 C GLY A 85 12.312 -7.366 -0.930 1.00 12.00 C ATOM 1308 O GLY A 85 12.964 -7.882 -0.045 1.00 12.39 O ATOM 0 H GLY A 85 12.329 -5.729 -3.045 1.00 12.18 H new ATOM 0 HA2 GLY A 85 11.878 -8.414 -2.739 1.00 12.33 H new ATOM 0 HA3 GLY A 85 13.589 -8.243 -2.400 1.00 12.33 H new ATOM 1312 N VAL A 86 11.313 -6.540 -0.653 1.00 11.43 N ATOM 1313 CA VAL A 86 10.854 -6.357 0.738 1.00 11.18 C ATOM 1314 C VAL A 86 9.665 -7.277 0.986 1.00 11.50 C ATOM 1315 O VAL A 86 8.903 -7.533 0.063 1.00 11.42 O ATOM 1316 CB VAL A 86 10.480 -4.880 1.055 1.00 10.44 C ATOM 1317 CG1 VAL A 86 8.976 -4.653 1.045 1.00 10.36 C ATOM 1318 CG2 VAL A 86 11.058 -4.457 2.393 1.00 10.15 C ATOM 0 H VAL A 86 10.807 -5.992 -1.348 1.00 11.43 H new ATOM 0 HA VAL A 86 11.677 -6.614 1.405 1.00 11.18 H new ATOM 0 HB VAL A 86 10.913 -4.267 0.265 1.00 10.44 H new ATOM 0 HG11 VAL A 86 8.764 -3.608 1.271 1.00 10.36 H new ATOM 0 HG12 VAL A 86 8.577 -4.899 0.061 1.00 10.36 H new ATOM 0 HG13 VAL A 86 8.507 -5.289 1.796 1.00 10.36 H new ATOM 0 HG21 VAL A 86 10.785 -3.421 2.596 1.00 10.15 H new ATOM 0 HG22 VAL A 86 10.661 -5.098 3.180 1.00 10.15 H new ATOM 0 HG23 VAL A 86 12.144 -4.547 2.365 1.00 10.15 H new ATOM 1328 N SER A 87 9.529 -7.824 2.194 1.00 12.04 N ATOM 1329 CA SER A 87 8.430 -8.715 2.495 1.00 12.55 C ATOM 1330 C SER A 87 7.085 -8.045 2.293 1.00 12.18 C ATOM 1331 O SER A 87 6.952 -6.828 2.453 1.00 11.57 O ATOM 1332 CB SER A 87 8.571 -9.208 3.932 1.00 13.39 C ATOM 1333 OG SER A 87 9.917 -9.103 4.377 1.00 13.46 O ATOM 0 H SER A 87 10.169 -7.661 2.972 1.00 12.04 H new ATOM 0 HA SER A 87 8.470 -9.558 1.806 1.00 12.55 H new ATOM 0 HB2 SER A 87 7.922 -8.625 4.585 1.00 13.39 H new ATOM 0 HB3 SER A 87 8.242 -10.245 3.998 1.00 13.39 H new ATOM 0 HG SER A 87 9.982 -9.423 5.301 1.00 13.46 H new ATOM 1339 N ASP A 88 6.090 -8.865 1.965 1.00 12.66 N ATOM 1340 CA ASP A 88 4.739 -8.389 1.699 1.00 12.44 C ATOM 1341 C ASP A 88 4.258 -7.535 2.851 1.00 12.35 C ATOM 1342 O ASP A 88 3.576 -6.532 2.660 1.00 11.82 O ATOM 1343 CB ASP A 88 3.781 -9.567 1.489 1.00 13.21 C ATOM 1344 CG ASP A 88 2.674 -9.254 0.502 1.00 13.68 C ATOM 1345 OD1 ASP A 88 1.636 -8.699 0.917 1.00 14.23 O ATOM 1346 OD2 ASP A 88 2.835 -9.548 -0.701 1.00 13.63 O ATOM 0 H ASP A 88 6.199 -9.875 1.877 1.00 12.66 H new ATOM 0 HA ASP A 88 4.757 -7.790 0.788 1.00 12.44 H new ATOM 0 HB2 ASP A 88 4.345 -10.430 1.134 1.00 13.21 H new ATOM 0 HB3 ASP A 88 3.340 -9.846 2.446 1.00 13.21 H new ATOM 1351 N ALA A 89 4.644 -7.935 4.049 1.00 13.02 N ATOM 1352 CA ALA A 89 4.240 -7.235 5.244 1.00 13.24 C ATOM 1353 C ALA A 89 5.283 -6.229 5.740 1.00 12.75 C ATOM 1354 O ALA A 89 4.971 -5.449 6.633 1.00 12.82 O ATOM 1355 CB ALA A 89 3.909 -8.228 6.345 1.00 14.29 C ATOM 0 H ALA A 89 5.240 -8.746 4.215 1.00 13.02 H new ATOM 0 HA ALA A 89 3.353 -6.659 4.981 1.00 13.24 H new ATOM 0 HB1 ALA A 89 3.605 -7.689 7.242 1.00 14.29 H new ATOM 0 HB2 ALA A 89 3.096 -8.876 6.018 1.00 14.29 H new ATOM 0 HB3 ALA A 89 4.788 -8.833 6.566 1.00 14.29 H new ATOM 1361 N ASP A 90 6.506 -6.197 5.182 1.00 12.38 N ATOM 1362 CA ASP A 90 7.531 -5.338 5.773 1.00 12.03 C ATOM 1363 C ASP A 90 7.187 -3.860 5.590 1.00 11.35 C ATOM 1364 O ASP A 90 6.871 -3.161 6.559 1.00 11.52 O ATOM 1365 CB ASP A 90 8.907 -5.630 5.178 1.00 11.82 C ATOM 1366 CG ASP A 90 10.020 -5.354 6.167 1.00 12.43 C ATOM 1367 OD1 ASP A 90 10.023 -5.963 7.254 1.00 12.76 O ATOM 1368 OD2 ASP A 90 10.904 -4.522 5.859 1.00 12.67 O ATOM 0 H ASP A 90 6.795 -6.730 4.362 1.00 12.38 H new ATOM 0 HA ASP A 90 7.560 -5.558 6.840 1.00 12.03 H new ATOM 0 HB2 ASP A 90 8.952 -6.672 4.862 1.00 11.82 H new ATOM 0 HB3 ASP A 90 9.054 -5.020 4.287 1.00 11.82 H new ATOM 1373 N ILE A 91 7.224 -3.385 4.349 1.00 10.74 N ATOM 1374 CA ILE A 91 6.819 -2.014 4.048 1.00 10.19 C ATOM 1375 C ILE A 91 5.323 -1.801 4.294 1.00 10.43 C ATOM 1376 O ILE A 91 4.870 -0.673 4.484 1.00 10.36 O ATOM 1377 CB ILE A 91 7.169 -1.629 2.592 1.00 9.70 C ATOM 1378 CG1 ILE A 91 7.149 -0.106 2.418 1.00 9.11 C ATOM 1379 CG2 ILE A 91 6.213 -2.290 1.610 1.00 9.94 C ATOM 1380 CD1 ILE A 91 8.239 0.607 3.191 1.00 9.17 C ATOM 0 H ILE A 91 7.528 -3.925 3.539 1.00 10.74 H new ATOM 0 HA ILE A 91 7.376 -1.366 4.725 1.00 10.19 H new ATOM 0 HB ILE A 91 8.176 -1.989 2.380 1.00 9.70 H new ATOM 0 HG12 ILE A 91 7.251 0.132 1.359 1.00 9.11 H new ATOM 0 HG13 ILE A 91 6.179 0.275 2.738 1.00 9.11 H new ATOM 0 HG21 ILE A 91 6.480 -2.003 0.593 1.00 9.94 H new ATOM 0 HG22 ILE A 91 6.279 -3.373 1.711 1.00 9.94 H new ATOM 0 HG23 ILE A 91 5.194 -1.968 1.822 1.00 9.94 H new ATOM 0 HD11 ILE A 91 8.163 1.681 3.020 1.00 9.17 H new ATOM 0 HD12 ILE A 91 8.125 0.400 4.255 1.00 9.17 H new ATOM 0 HD13 ILE A 91 9.214 0.254 2.855 1.00 9.17 H new ATOM 1392 N GLN A 92 4.571 -2.895 4.318 1.00 10.89 N ATOM 1393 CA GLN A 92 3.135 -2.824 4.544 1.00 11.26 C ATOM 1394 C GLN A 92 2.857 -2.387 5.975 1.00 11.84 C ATOM 1395 O GLN A 92 2.077 -1.467 6.216 1.00 11.95 O ATOM 1396 CB GLN A 92 2.480 -4.177 4.264 1.00 11.85 C ATOM 1397 CG GLN A 92 1.000 -4.229 4.605 1.00 12.25 C ATOM 1398 CD GLN A 92 0.692 -5.234 5.697 1.00 13.23 C ATOM 1399 OE1 GLN A 92 1.010 -6.414 5.576 1.00 13.70 O ATOM 1400 NE2 GLN A 92 0.075 -4.771 6.772 1.00 13.70 N ATOM 0 H GLN A 92 4.932 -3.839 4.184 1.00 10.89 H new ATOM 0 HA GLN A 92 2.708 -2.090 3.860 1.00 11.26 H new ATOM 0 HB2 GLN A 92 2.608 -4.420 3.209 1.00 11.85 H new ATOM 0 HB3 GLN A 92 3.001 -4.946 4.834 1.00 11.85 H new ATOM 0 HG2 GLN A 92 0.668 -3.240 4.921 1.00 12.25 H new ATOM 0 HG3 GLN A 92 0.433 -4.484 3.710 1.00 12.25 H new ATOM 0 HE21 GLN A 92 -0.172 -3.783 6.833 1.00 13.70 H new ATOM 0 HE22 GLN A 92 -0.154 -5.402 7.540 1.00 13.70 H new ATOM 1409 N GLU A 93 3.521 -3.038 6.921 1.00 12.34 N ATOM 1410 CA GLU A 93 3.348 -2.719 8.327 1.00 13.06 C ATOM 1411 C GLU A 93 3.959 -1.364 8.648 1.00 12.81 C ATOM 1412 O GLU A 93 3.502 -0.669 9.556 1.00 13.39 O ATOM 1413 CB GLU A 93 3.973 -3.803 9.203 1.00 13.62 C ATOM 1414 CG GLU A 93 3.151 -5.079 9.259 1.00 14.57 C ATOM 1415 CD GLU A 93 2.661 -5.391 10.656 1.00 15.36 C ATOM 1416 OE1 GLU A 93 2.273 -4.454 11.381 1.00 15.75 O ATOM 1417 OE2 GLU A 93 2.663 -6.579 11.036 1.00 15.72 O ATOM 0 H GLU A 93 4.185 -3.791 6.737 1.00 12.34 H new ATOM 0 HA GLU A 93 2.280 -2.675 8.538 1.00 13.06 H new ATOM 0 HB2 GLU A 93 4.968 -4.037 8.825 1.00 13.62 H new ATOM 0 HB3 GLU A 93 4.099 -3.416 10.214 1.00 13.62 H new ATOM 0 HG2 GLU A 93 2.296 -4.986 8.590 1.00 14.57 H new ATOM 0 HG3 GLU A 93 3.753 -5.911 8.894 1.00 14.57 H new ATOM 1424 N LEU A 94 4.988 -0.984 7.894 1.00 12.08 N ATOM 1425 CA LEU A 94 5.614 0.319 8.068 1.00 11.97 C ATOM 1426 C LEU A 94 4.629 1.432 7.729 1.00 11.94 C ATOM 1427 O LEU A 94 4.263 2.228 8.586 1.00 12.57 O ATOM 1428 CB LEU A 94 6.860 0.437 7.188 1.00 11.31 C ATOM 1429 CG LEU A 94 8.165 -0.016 7.842 1.00 11.47 C ATOM 1430 CD1 LEU A 94 9.169 -0.445 6.786 1.00 11.42 C ATOM 1431 CD2 LEU A 94 8.739 1.095 8.708 1.00 11.53 C ATOM 0 H LEU A 94 5.403 -1.559 7.160 1.00 12.08 H new ATOM 0 HA LEU A 94 5.912 0.419 9.112 1.00 11.97 H new ATOM 0 HB2 LEU A 94 6.703 -0.150 6.283 1.00 11.31 H new ATOM 0 HB3 LEU A 94 6.969 1.476 6.878 1.00 11.31 H new ATOM 0 HG LEU A 94 7.952 -0.874 8.480 1.00 11.47 H new ATOM 0 HD11 LEU A 94 10.092 -0.764 7.270 1.00 11.42 H new ATOM 0 HD12 LEU A 94 8.758 -1.272 6.208 1.00 11.42 H new ATOM 0 HD13 LEU A 94 9.379 0.393 6.122 1.00 11.42 H new ATOM 0 HD21 LEU A 94 9.668 0.756 9.166 1.00 11.53 H new ATOM 0 HD22 LEU A 94 8.937 1.971 8.091 1.00 11.53 H new ATOM 0 HD23 LEU A 94 8.023 1.355 9.488 1.00 11.53 H new ATOM 1443 N PHE A 95 4.229 1.497 6.465 1.00 11.31 N ATOM 1444 CA PHE A 95 3.221 2.458 6.020 1.00 11.29 C ATOM 1445 C PHE A 95 1.884 2.318 6.757 1.00 11.98 C ATOM 1446 O PHE A 95 1.059 3.229 6.715 1.00 12.28 O ATOM 1447 CB PHE A 95 3.003 2.330 4.521 1.00 10.57 C ATOM 1448 CG PHE A 95 3.761 3.339 3.717 1.00 10.24 C ATOM 1449 CD1 PHE A 95 3.414 4.676 3.765 1.00 10.59 C ATOM 1450 CD2 PHE A 95 4.825 2.952 2.918 1.00 9.80 C ATOM 1451 CE1 PHE A 95 4.112 5.611 3.032 1.00 10.56 C ATOM 1452 CE2 PHE A 95 5.527 3.883 2.180 1.00 9.76 C ATOM 1453 CZ PHE A 95 5.165 5.203 2.217 1.00 10.20 C ATOM 0 H PHE A 95 4.588 0.894 5.725 1.00 11.31 H new ATOM 0 HA PHE A 95 3.609 3.448 6.259 1.00 11.29 H new ATOM 0 HB2 PHE A 95 3.297 1.330 4.204 1.00 10.57 H new ATOM 0 HB3 PHE A 95 1.939 2.432 4.307 1.00 10.57 H new ATOM 0 HD1 PHE A 95 2.587 4.991 4.384 1.00 10.59 H new ATOM 0 HD2 PHE A 95 5.108 1.911 2.872 1.00 9.80 H new ATOM 0 HE1 PHE A 95 3.844 6.656 3.089 1.00 10.56 H new ATOM 0 HE2 PHE A 95 6.363 3.570 1.572 1.00 9.76 H new ATOM 0 HZ PHE A 95 5.695 5.926 1.615 1.00 10.20 H new ATOM 1463 N ALA A 96 1.663 1.193 7.425 1.00 12.37 N ATOM 1464 CA ALA A 96 0.487 1.050 8.275 1.00 13.23 C ATOM 1465 C ALA A 96 0.691 1.853 9.552 1.00 14.04 C ATOM 1466 O ALA A 96 -0.194 2.571 10.009 1.00 14.68 O ATOM 1467 CB ALA A 96 0.223 -0.411 8.598 1.00 13.64 C ATOM 0 H ALA A 96 2.273 0.376 7.396 1.00 12.37 H new ATOM 0 HA ALA A 96 -0.384 1.432 7.743 1.00 13.23 H new ATOM 0 HB1 ALA A 96 -0.659 -0.490 9.233 1.00 13.64 H new ATOM 0 HB2 ALA A 96 0.055 -0.963 7.673 1.00 13.64 H new ATOM 0 HB3 ALA A 96 1.084 -0.830 9.119 1.00 13.64 H new ATOM 1473 N GLU A 97 1.881 1.711 10.117 1.00 14.09 N ATOM 1474 CA GLU A 97 2.326 2.558 11.212 1.00 14.82 C ATOM 1475 C GLU A 97 2.276 4.024 10.773 1.00 14.74 C ATOM 1476 O GLU A 97 1.862 4.907 11.528 1.00 15.58 O ATOM 1477 CB GLU A 97 3.748 2.170 11.613 1.00 14.74 C ATOM 1478 CG GLU A 97 3.826 1.343 12.883 1.00 15.73 C ATOM 1479 CD GLU A 97 4.477 2.101 14.015 1.00 16.14 C ATOM 1480 OE1 GLU A 97 3.843 3.034 14.544 1.00 16.68 O ATOM 1481 OE2 GLU A 97 5.633 1.780 14.371 1.00 16.03 O ATOM 0 H GLU A 97 2.562 1.008 9.830 1.00 14.09 H new ATOM 0 HA GLU A 97 1.670 2.424 12.072 1.00 14.82 H new ATOM 0 HB2 GLU A 97 4.204 1.609 10.797 1.00 14.74 H new ATOM 0 HB3 GLU A 97 4.338 3.077 11.745 1.00 14.74 H new ATOM 0 HG2 GLU A 97 2.822 1.040 13.180 1.00 15.73 H new ATOM 0 HG3 GLU A 97 4.389 0.431 12.687 1.00 15.73 H new ATOM 1488 N PHE A 98 2.707 4.259 9.538 1.00 13.84 N ATOM 1489 CA PHE A 98 2.640 5.569 8.880 1.00 13.78 C ATOM 1490 C PHE A 98 1.204 6.084 8.702 1.00 14.08 C ATOM 1491 O PHE A 98 1.001 7.181 8.180 1.00 14.23 O ATOM 1492 CB PHE A 98 3.327 5.501 7.515 1.00 12.84 C ATOM 1493 CG PHE A 98 4.485 6.448 7.359 1.00 12.77 C ATOM 1494 CD1 PHE A 98 4.538 7.616 8.098 1.00 12.76 C ATOM 1495 CD2 PHE A 98 5.521 6.167 6.482 1.00 12.86 C ATOM 1496 CE1 PHE A 98 5.599 8.489 7.966 1.00 12.87 C ATOM 1497 CE2 PHE A 98 6.585 7.037 6.344 1.00 12.95 C ATOM 1498 CZ PHE A 98 6.626 8.193 7.049 1.00 12.97 C ATOM 0 H PHE A 98 3.121 3.534 8.952 1.00 13.84 H new ATOM 0 HA PHE A 98 3.155 6.273 9.534 1.00 13.78 H new ATOM 0 HB2 PHE A 98 3.680 4.483 7.349 1.00 12.84 H new ATOM 0 HB3 PHE A 98 2.591 5.714 6.740 1.00 12.84 H new ATOM 0 HD1 PHE A 98 3.739 7.848 8.787 1.00 12.76 H new ATOM 0 HD2 PHE A 98 5.496 5.258 5.900 1.00 12.86 H new ATOM 0 HE1 PHE A 98 5.641 9.390 8.560 1.00 12.87 H new ATOM 0 HE2 PHE A 98 7.391 6.793 5.668 1.00 12.95 H new ATOM 0 HZ PHE A 98 7.443 8.885 6.908 1.00 12.97 H new ATOM 1508 N GLY A 99 0.217 5.307 9.126 1.00 14.25 N ATOM 1509 CA GLY A 99 -1.157 5.733 8.950 1.00 14.54 C ATOM 1510 C GLY A 99 -2.042 4.703 8.291 1.00 14.14 C ATOM 1511 O GLY A 99 -2.585 3.824 8.961 1.00 14.45 O ATOM 0 H GLY A 99 0.339 4.403 9.582 1.00 14.25 H new ATOM 0 HA2 GLY A 99 -1.575 5.986 9.924 1.00 14.54 H new ATOM 0 HA3 GLY A 99 -1.170 6.644 8.351 1.00 14.54 H new ATOM 1515 N THR A 100 -2.205 4.815 6.983 1.00 13.58 N ATOM 1516 CA THR A 100 -3.148 3.975 6.268 1.00 13.32 C ATOM 1517 C THR A 100 -2.595 3.539 4.916 1.00 12.31 C ATOM 1518 O THR A 100 -2.327 4.369 4.046 1.00 11.75 O ATOM 1519 CB THR A 100 -4.481 4.715 6.059 1.00 13.60 C ATOM 1520 OG1 THR A 100 -4.276 6.132 6.175 1.00 14.03 O ATOM 1521 CG2 THR A 100 -5.514 4.264 7.082 1.00 14.35 C ATOM 0 H THR A 100 -1.697 5.478 6.397 1.00 13.58 H new ATOM 0 HA THR A 100 -3.316 3.087 6.877 1.00 13.32 H new ATOM 0 HB THR A 100 -4.852 4.480 5.061 1.00 13.60 H new ATOM 0 HG1 THR A 100 -5.127 6.598 6.039 1.00 14.03 H new ATOM 0 HG21 THR A 100 -6.449 4.800 6.916 1.00 14.35 H new ATOM 0 HG22 THR A 100 -5.686 3.193 6.977 1.00 14.35 H new ATOM 0 HG23 THR A 100 -5.148 4.476 8.087 1.00 14.35 H new ATOM 1529 N LEU A 101 -2.429 2.238 4.749 1.00 12.24 N ATOM 1530 CA LEU A 101 -1.928 1.691 3.503 1.00 11.47 C ATOM 1531 C LEU A 101 -3.019 0.908 2.785 1.00 11.61 C ATOM 1532 O LEU A 101 -3.484 -0.120 3.274 1.00 12.28 O ATOM 1533 CB LEU A 101 -0.728 0.783 3.760 1.00 11.39 C ATOM 1534 CG LEU A 101 0.476 1.017 2.847 1.00 10.65 C ATOM 1535 CD1 LEU A 101 1.428 -0.157 2.932 1.00 10.24 C ATOM 1536 CD2 LEU A 101 0.040 1.242 1.408 1.00 10.45 C ATOM 0 H LEU A 101 -2.635 1.540 5.464 1.00 12.24 H new ATOM 0 HA LEU A 101 -1.615 2.522 2.871 1.00 11.47 H new ATOM 0 HB2 LEU A 101 -0.410 0.913 4.794 1.00 11.39 H new ATOM 0 HB3 LEU A 101 -1.048 -0.253 3.653 1.00 11.39 H new ATOM 0 HG LEU A 101 0.990 1.917 3.185 1.00 10.65 H new ATOM 0 HD11 LEU A 101 2.282 0.019 2.278 1.00 10.24 H new ATOM 0 HD12 LEU A 101 1.775 -0.271 3.959 1.00 10.24 H new ATOM 0 HD13 LEU A 101 0.914 -1.066 2.620 1.00 10.24 H new ATOM 0 HD21 LEU A 101 0.918 1.406 0.783 1.00 10.45 H new ATOM 0 HD22 LEU A 101 -0.502 0.366 1.051 1.00 10.45 H new ATOM 0 HD23 LEU A 101 -0.609 2.116 1.357 1.00 10.45 H new ATOM 1548 N LYS A 102 -3.427 1.415 1.630 1.00 11.11 N ATOM 1549 CA LYS A 102 -4.417 0.736 0.808 1.00 11.26 C ATOM 1550 C LYS A 102 -3.867 -0.588 0.282 1.00 11.16 C ATOM 1551 O LYS A 102 -4.315 -1.659 0.695 1.00 11.79 O ATOM 1552 CB LYS A 102 -4.859 1.628 -0.354 1.00 10.93 C ATOM 1553 CG LYS A 102 -6.257 2.196 -0.183 1.00 11.36 C ATOM 1554 CD LYS A 102 -7.294 1.095 -0.028 1.00 11.57 C ATOM 1555 CE LYS A 102 -8.494 1.569 0.778 1.00 12.20 C ATOM 1556 NZ LYS A 102 -9.467 2.312 -0.063 1.00 12.64 N ATOM 0 H LYS A 102 -3.087 2.295 1.241 1.00 11.11 H new ATOM 0 HA LYS A 102 -5.286 0.525 1.431 1.00 11.26 H new ATOM 0 HB2 LYS A 102 -4.152 2.450 -0.460 1.00 10.93 H new ATOM 0 HB3 LYS A 102 -4.820 1.053 -1.279 1.00 10.93 H new ATOM 0 HG2 LYS A 102 -6.282 2.846 0.692 1.00 11.36 H new ATOM 0 HG3 LYS A 102 -6.507 2.813 -1.046 1.00 11.36 H new ATOM 0 HD2 LYS A 102 -7.624 0.763 -1.012 1.00 11.57 H new ATOM 0 HD3 LYS A 102 -6.841 0.234 0.464 1.00 11.57 H new ATOM 0 HE2 LYS A 102 -8.988 0.710 1.232 1.00 12.20 H new ATOM 0 HE3 LYS A 102 -8.155 2.209 1.592 1.00 12.20 H new ATOM 0 HZ1 LYS A 102 -10.421 2.209 0.337 1.00 12.64 H new ATOM 0 HZ2 LYS A 102 -9.208 3.319 -0.086 1.00 12.64 H new ATOM 0 HZ3 LYS A 102 -9.454 1.929 -1.030 1.00 12.64 H new ATOM 1570 N LYS A 103 -2.895 -0.517 -0.620 1.00 10.53 N ATOM 1571 CA LYS A 103 -2.290 -1.714 -1.173 1.00 10.59 C ATOM 1572 C LYS A 103 -0.776 -1.598 -1.099 1.00 10.09 C ATOM 1573 O LYS A 103 -0.238 -0.513 -1.243 1.00 9.59 O ATOM 1574 CB LYS A 103 -2.757 -1.909 -2.625 1.00 10.70 C ATOM 1575 CG LYS A 103 -1.685 -2.433 -3.571 1.00 10.37 C ATOM 1576 CD LYS A 103 -2.153 -3.679 -4.308 1.00 10.76 C ATOM 1577 CE LYS A 103 -1.736 -4.950 -3.579 1.00 11.04 C ATOM 1578 NZ LYS A 103 -1.939 -6.160 -4.416 1.00 12.01 N ATOM 0 H LYS A 103 -2.512 0.357 -0.981 1.00 10.53 H new ATOM 0 HA LYS A 103 -2.599 -2.585 -0.595 1.00 10.59 H new ATOM 0 HB2 LYS A 103 -3.599 -2.601 -2.632 1.00 10.70 H new ATOM 0 HB3 LYS A 103 -3.125 -0.956 -3.006 1.00 10.70 H new ATOM 0 HG2 LYS A 103 -1.425 -1.658 -4.292 1.00 10.37 H new ATOM 0 HG3 LYS A 103 -0.780 -2.661 -3.007 1.00 10.37 H new ATOM 0 HD2 LYS A 103 -3.238 -3.656 -4.410 1.00 10.76 H new ATOM 0 HD3 LYS A 103 -1.738 -3.684 -5.316 1.00 10.76 H new ATOM 0 HE2 LYS A 103 -0.686 -4.877 -3.294 1.00 11.04 H new ATOM 0 HE3 LYS A 103 -2.311 -5.045 -2.658 1.00 11.04 H new ATOM 0 HZ1 LYS A 103 -1.643 -7.004 -3.884 1.00 12.01 H new ATOM 0 HZ2 LYS A 103 -2.945 -6.244 -4.667 1.00 12.01 H new ATOM 0 HZ3 LYS A 103 -1.371 -6.081 -5.284 1.00 12.01 H new ATOM 1592 N ALA A 104 -0.095 -2.695 -0.836 1.00 10.38 N ATOM 1593 CA ALA A 104 1.358 -2.700 -0.892 1.00 10.01 C ATOM 1594 C ALA A 104 1.847 -3.921 -1.650 1.00 10.44 C ATOM 1595 O ALA A 104 1.709 -5.050 -1.185 1.00 10.99 O ATOM 1596 CB ALA A 104 1.966 -2.629 0.504 1.00 9.89 C ATOM 0 H ALA A 104 -0.517 -3.589 -0.583 1.00 10.38 H new ATOM 0 HA ALA A 104 1.686 -1.810 -1.429 1.00 10.01 H new ATOM 0 HB1 ALA A 104 3.053 -2.635 0.428 1.00 9.89 H new ATOM 0 HB2 ALA A 104 1.641 -1.712 0.996 1.00 9.89 H new ATOM 0 HB3 ALA A 104 1.639 -3.489 1.088 1.00 9.89 H new ATOM 1602 N ALA A 105 2.405 -3.685 -2.827 1.00 10.39 N ATOM 1603 CA ALA A 105 2.878 -4.758 -3.683 1.00 10.98 C ATOM 1604 C ALA A 105 4.387 -4.851 -3.612 1.00 10.79 C ATOM 1605 O ALA A 105 5.103 -3.993 -4.120 1.00 10.39 O ATOM 1606 CB ALA A 105 2.438 -4.530 -5.116 1.00 11.52 C ATOM 0 H ALA A 105 2.542 -2.751 -3.213 1.00 10.39 H new ATOM 0 HA ALA A 105 2.446 -5.696 -3.333 1.00 10.98 H new ATOM 0 HB1 ALA A 105 2.802 -5.344 -5.742 1.00 11.52 H new ATOM 0 HB2 ALA A 105 1.349 -4.496 -5.161 1.00 11.52 H new ATOM 0 HB3 ALA A 105 2.846 -3.585 -5.476 1.00 11.52 H new ATOM 1612 N VAL A 106 4.869 -5.887 -2.974 1.00 11.23 N ATOM 1613 CA VAL A 106 6.288 -6.036 -2.755 1.00 11.21 C ATOM 1614 C VAL A 106 6.915 -6.985 -3.753 1.00 11.93 C ATOM 1615 O VAL A 106 6.229 -7.705 -4.477 1.00 12.59 O ATOM 1616 CB VAL A 106 6.566 -6.562 -1.338 1.00 11.39 C ATOM 1617 CG1 VAL A 106 5.888 -5.677 -0.299 1.00 10.93 C ATOM 1618 CG2 VAL A 106 6.107 -8.006 -1.220 1.00 11.99 C ATOM 0 H VAL A 106 4.299 -6.643 -2.595 1.00 11.23 H new ATOM 0 HA VAL A 106 6.730 -5.048 -2.881 1.00 11.21 H new ATOM 0 HB VAL A 106 7.639 -6.531 -1.150 1.00 11.39 H new ATOM 0 HG11 VAL A 106 6.095 -6.064 0.699 1.00 10.93 H new ATOM 0 HG12 VAL A 106 6.272 -4.660 -0.381 1.00 10.93 H new ATOM 0 HG13 VAL A 106 4.812 -5.673 -0.471 1.00 10.93 H new ATOM 0 HG21 VAL A 106 6.308 -8.370 -0.213 1.00 11.99 H new ATOM 0 HG22 VAL A 106 5.037 -8.065 -1.421 1.00 11.99 H new ATOM 0 HG23 VAL A 106 6.646 -8.619 -1.942 1.00 11.99 H new ATOM 1628 N ASP A 107 8.226 -6.960 -3.778 1.00 11.95 N ATOM 1629 CA ASP A 107 9.000 -7.804 -4.659 1.00 12.77 C ATOM 1630 C ASP A 107 9.935 -8.612 -3.793 1.00 13.21 C ATOM 1631 O ASP A 107 10.011 -8.346 -2.601 1.00 12.80 O ATOM 1632 CB ASP A 107 9.790 -6.959 -5.655 1.00 12.61 C ATOM 1633 CG ASP A 107 9.127 -6.876 -7.014 1.00 13.52 C ATOM 1634 OD1 ASP A 107 8.829 -7.933 -7.607 1.00 13.74 O ATOM 1635 OD2 ASP A 107 8.914 -5.745 -7.503 1.00 14.12 O ATOM 0 H ASP A 107 8.790 -6.351 -3.185 1.00 11.95 H new ATOM 0 HA ASP A 107 8.347 -8.458 -5.236 1.00 12.77 H new ATOM 0 HB2 ASP A 107 9.912 -5.953 -5.254 1.00 12.61 H new ATOM 0 HB3 ASP A 107 10.789 -7.380 -5.769 1.00 12.61 H new ATOM 1640 N TYR A 108 10.596 -9.612 -4.353 1.00 14.11 N ATOM 1641 CA TYR A 108 11.629 -10.359 -3.627 1.00 14.67 C ATOM 1642 C TYR A 108 12.790 -10.633 -4.564 1.00 15.44 C ATOM 1643 O TYR A 108 12.596 -10.668 -5.778 1.00 15.72 O ATOM 1644 CB TYR A 108 11.086 -11.681 -3.073 1.00 15.38 C ATOM 1645 CG TYR A 108 9.916 -11.547 -2.121 1.00 14.91 C ATOM 1646 CD1 TYR A 108 9.962 -10.690 -1.025 1.00 14.54 C ATOM 1647 CD2 TYR A 108 8.761 -12.290 -2.320 1.00 15.00 C ATOM 1648 CE1 TYR A 108 8.889 -10.578 -0.167 1.00 14.26 C ATOM 1649 CE2 TYR A 108 7.688 -12.186 -1.461 1.00 14.74 C ATOM 1650 CZ TYR A 108 7.756 -11.327 -0.387 1.00 14.37 C ATOM 1651 OH TYR A 108 6.689 -11.226 0.472 1.00 14.27 O ATOM 0 H TYR A 108 10.441 -9.931 -5.309 1.00 14.11 H new ATOM 0 HA TYR A 108 11.959 -9.757 -2.780 1.00 14.67 H new ATOM 0 HB2 TYR A 108 10.783 -12.310 -3.910 1.00 15.38 H new ATOM 0 HB3 TYR A 108 11.895 -12.201 -2.559 1.00 15.38 H new ATOM 0 HD1 TYR A 108 10.851 -10.104 -0.844 1.00 14.54 H new ATOM 0 HD2 TYR A 108 8.702 -12.962 -3.163 1.00 15.00 H new ATOM 0 HE1 TYR A 108 8.938 -9.904 0.676 1.00 14.26 H new ATOM 0 HE2 TYR A 108 6.799 -12.775 -1.629 1.00 14.74 H new ATOM 0 HH TYR A 108 5.970 -11.821 0.172 1.00 14.27 H new ATOM 1661 N ASP A 109 13.988 -10.867 -4.027 1.00 15.88 N ATOM 1662 CA ASP A 109 15.156 -11.006 -4.882 1.00 16.70 C ATOM 1663 C ASP A 109 15.329 -12.468 -5.266 1.00 17.75 C ATOM 1664 O ASP A 109 14.939 -13.358 -4.512 1.00 17.90 O ATOM 1665 CB ASP A 109 16.412 -10.493 -4.175 1.00 16.70 C ATOM 1666 CG ASP A 109 17.688 -10.908 -4.881 1.00 17.47 C ATOM 1667 OD1 ASP A 109 17.881 -10.512 -6.047 1.00 17.54 O ATOM 1668 OD2 ASP A 109 18.513 -11.614 -4.268 1.00 18.07 O ATOM 0 H ASP A 109 14.169 -10.962 -3.028 1.00 15.88 H new ATOM 0 HA ASP A 109 15.008 -10.408 -5.781 1.00 16.70 H new ATOM 0 HB2 ASP A 109 16.372 -9.405 -4.114 1.00 16.70 H new ATOM 0 HB3 ASP A 109 16.428 -10.869 -3.152 1.00 16.70 H new ATOM 1673 N ARG A 110 15.919 -12.709 -6.424 1.00 18.56 N ATOM 1674 CA ARG A 110 16.075 -14.064 -6.943 1.00 19.67 C ATOM 1675 C ARG A 110 16.999 -14.903 -6.064 1.00 20.06 C ATOM 1676 O ARG A 110 17.012 -16.130 -6.161 1.00 20.72 O ATOM 1677 CB ARG A 110 16.629 -14.027 -8.368 1.00 20.52 C ATOM 1678 CG ARG A 110 15.750 -13.272 -9.350 1.00 20.56 C ATOM 1679 CD ARG A 110 16.537 -12.199 -10.085 1.00 20.89 C ATOM 1680 NE ARG A 110 17.828 -12.691 -10.566 1.00 21.05 N ATOM 1681 CZ ARG A 110 18.791 -11.909 -11.052 1.00 21.24 C ATOM 1682 NH1 ARG A 110 18.619 -10.593 -11.110 1.00 21.27 N ATOM 1683 NH2 ARG A 110 19.927 -12.444 -11.483 1.00 21.49 N ATOM 0 H ARG A 110 16.301 -11.982 -7.028 1.00 18.56 H new ATOM 0 HA ARG A 110 15.088 -14.526 -6.943 1.00 19.67 H new ATOM 0 HB2 ARG A 110 17.617 -13.567 -8.352 1.00 20.52 H new ATOM 0 HB3 ARG A 110 16.759 -15.049 -8.723 1.00 20.52 H new ATOM 0 HG2 ARG A 110 15.323 -13.970 -10.070 1.00 20.56 H new ATOM 0 HG3 ARG A 110 14.917 -12.814 -8.817 1.00 20.56 H new ATOM 0 HD2 ARG A 110 15.951 -11.836 -10.929 1.00 20.89 H new ATOM 0 HD3 ARG A 110 16.698 -11.350 -9.420 1.00 20.89 H new ATOM 0 HE ARG A 110 18.002 -13.695 -10.527 1.00 21.05 H new ATOM 0 HH11 ARG A 110 17.747 -10.178 -10.782 1.00 21.27 H new ATOM 0 HH12 ARG A 110 19.359 -9.998 -11.483 1.00 21.27 H new ATOM 0 HH21 ARG A 110 20.063 -13.454 -11.442 1.00 21.49 H new ATOM 0 HH22 ARG A 110 20.664 -11.845 -11.855 1.00 21.49 H new ATOM 1697 N SER A 111 17.772 -14.251 -5.208 1.00 19.71 N ATOM 1698 CA SER A 111 18.747 -14.952 -4.393 1.00 20.09 C ATOM 1699 C SER A 111 18.476 -14.738 -2.905 1.00 19.34 C ATOM 1700 O SER A 111 19.062 -15.415 -2.060 1.00 19.58 O ATOM 1701 CB SER A 111 20.154 -14.465 -4.746 1.00 20.36 C ATOM 1702 OG SER A 111 20.096 -13.340 -5.613 1.00 20.33 O ATOM 0 H SER A 111 17.742 -13.242 -5.062 1.00 19.71 H new ATOM 0 HA SER A 111 18.667 -16.019 -4.599 1.00 20.09 H new ATOM 0 HB2 SER A 111 20.691 -14.201 -3.835 1.00 20.36 H new ATOM 0 HB3 SER A 111 20.713 -15.270 -5.224 1.00 20.36 H new ATOM 0 HG SER A 111 19.615 -12.610 -5.170 1.00 20.33 H new ATOM 1708 N GLY A 112 17.586 -13.805 -2.584 1.00 18.52 N ATOM 1709 CA GLY A 112 17.315 -13.517 -1.192 1.00 17.87 C ATOM 1710 C GLY A 112 16.255 -12.454 -0.980 1.00 17.53 C ATOM 1711 O GLY A 112 16.566 -11.267 -0.871 1.00 17.59 O ATOM 0 H GLY A 112 17.054 -13.250 -3.255 1.00 18.52 H new ATOM 0 HA2 GLY A 112 17.000 -14.435 -0.696 1.00 17.87 H new ATOM 0 HA3 GLY A 112 18.239 -13.196 -0.711 1.00 17.87 H new ATOM 1715 N ARG A 113 14.996 -12.879 -0.971 1.00 17.30 N ATOM 1716 CA ARG A 113 13.890 -12.053 -0.488 1.00 17.14 C ATOM 1717 C ARG A 113 14.210 -11.435 0.877 1.00 16.20 C ATOM 1718 O ARG A 113 15.036 -11.968 1.624 1.00 16.37 O ATOM 1719 CB ARG A 113 12.614 -12.893 -0.386 1.00 17.48 C ATOM 1720 CG ARG A 113 12.566 -13.812 0.826 1.00 18.02 C ATOM 1721 CD ARG A 113 11.892 -15.132 0.497 1.00 18.53 C ATOM 1722 NE ARG A 113 12.829 -16.096 -0.078 1.00 18.76 N ATOM 1723 CZ ARG A 113 13.008 -17.329 0.388 1.00 19.39 C ATOM 1724 NH1 ARG A 113 12.298 -17.766 1.418 1.00 19.85 N ATOM 1725 NH2 ARG A 113 13.896 -18.136 -0.178 1.00 19.68 N ATOM 0 H ARG A 113 14.712 -13.803 -1.297 1.00 17.30 H new ATOM 0 HA ARG A 113 13.740 -11.244 -1.203 1.00 17.14 H new ATOM 0 HB2 ARG A 113 11.754 -12.224 -0.355 1.00 17.48 H new ATOM 0 HB3 ARG A 113 12.516 -13.496 -1.289 1.00 17.48 H new ATOM 0 HG2 ARG A 113 13.579 -13.998 1.183 1.00 18.02 H new ATOM 0 HG3 ARG A 113 12.028 -13.320 1.636 1.00 18.02 H new ATOM 0 HD2 ARG A 113 11.452 -15.550 1.402 1.00 18.53 H new ATOM 0 HD3 ARG A 113 11.075 -14.958 -0.204 1.00 18.53 H new ATOM 0 HE ARG A 113 13.379 -15.805 -0.886 1.00 18.76 H new ATOM 0 HH11 ARG A 113 11.609 -17.156 1.858 1.00 19.85 H new ATOM 0 HH12 ARG A 113 12.440 -18.713 1.770 1.00 19.85 H new ATOM 0 HH21 ARG A 113 14.445 -17.812 -0.974 1.00 19.68 H new ATOM 0 HH22 ARG A 113 14.030 -19.081 0.183 1.00 19.68 H new ATOM 1739 N SER A 114 13.564 -10.298 1.165 1.00 15.31 N ATOM 1740 CA SER A 114 13.740 -9.546 2.415 1.00 14.46 C ATOM 1741 C SER A 114 14.951 -8.624 2.279 1.00 13.60 C ATOM 1742 O SER A 114 15.597 -8.236 3.251 1.00 13.37 O ATOM 1743 CB SER A 114 13.863 -10.464 3.640 1.00 14.66 C ATOM 1744 OG SER A 114 12.762 -11.359 3.712 1.00 15.43 O ATOM 0 H SER A 114 12.894 -9.868 0.527 1.00 15.31 H new ATOM 0 HA SER A 114 12.846 -8.945 2.584 1.00 14.46 H new ATOM 0 HB2 SER A 114 14.794 -11.029 3.585 1.00 14.66 H new ATOM 0 HB3 SER A 114 13.909 -9.862 4.548 1.00 14.66 H new ATOM 0 HG SER A 114 12.860 -11.936 4.498 1.00 15.43 H new ATOM 1750 N LEU A 115 15.235 -8.303 1.027 1.00 13.29 N ATOM 1751 CA LEU A 115 16.322 -7.427 0.639 1.00 12.67 C ATOM 1752 C LEU A 115 15.870 -5.947 0.580 1.00 11.82 C ATOM 1753 O LEU A 115 16.659 -5.056 0.259 1.00 11.50 O ATOM 1754 CB LEU A 115 16.885 -7.955 -0.701 1.00 13.13 C ATOM 1755 CG LEU A 115 16.954 -6.992 -1.890 1.00 13.71 C ATOM 1756 CD1 LEU A 115 17.770 -7.622 -3.004 1.00 13.79 C ATOM 1757 CD2 LEU A 115 15.568 -6.650 -2.401 1.00 14.34 C ATOM 0 H LEU A 115 14.700 -8.655 0.233 1.00 13.29 H new ATOM 0 HA LEU A 115 17.116 -7.438 1.385 1.00 12.67 H new ATOM 0 HB2 LEU A 115 17.893 -8.326 -0.515 1.00 13.13 H new ATOM 0 HB3 LEU A 115 16.281 -8.811 -1.001 1.00 13.13 H new ATOM 0 HG LEU A 115 17.429 -6.069 -1.558 1.00 13.71 H new ATOM 0 HD11 LEU A 115 17.820 -6.937 -3.851 1.00 13.79 H new ATOM 0 HD12 LEU A 115 18.778 -7.828 -2.645 1.00 13.79 H new ATOM 0 HD13 LEU A 115 17.299 -8.554 -3.318 1.00 13.79 H new ATOM 0 HD21 LEU A 115 15.650 -5.965 -3.245 1.00 14.34 H new ATOM 0 HD22 LEU A 115 15.063 -7.561 -2.721 1.00 14.34 H new ATOM 0 HD23 LEU A 115 14.993 -6.178 -1.605 1.00 14.34 H new ATOM 1769 N GLY A 116 14.602 -5.687 0.923 1.00 11.63 N ATOM 1770 CA GLY A 116 14.118 -4.319 1.041 1.00 10.96 C ATOM 1771 C GLY A 116 13.747 -3.634 -0.269 1.00 10.62 C ATOM 1772 O GLY A 116 14.452 -2.726 -0.701 1.00 10.23 O ATOM 0 H GLY A 116 13.903 -6.403 1.121 1.00 11.63 H new ATOM 0 HA2 GLY A 116 13.243 -4.317 1.691 1.00 10.96 H new ATOM 0 HA3 GLY A 116 14.884 -3.723 1.537 1.00 10.96 H new ATOM 1776 N THR A 117 12.646 -4.055 -0.901 1.00 10.92 N ATOM 1777 CA THR A 117 12.095 -3.334 -2.068 1.00 10.75 C ATOM 1778 C THR A 117 10.608 -3.658 -2.338 1.00 10.46 C ATOM 1779 O THR A 117 10.191 -4.821 -2.281 1.00 10.80 O ATOM 1780 CB THR A 117 12.886 -3.615 -3.352 1.00 11.45 C ATOM 1781 OG1 THR A 117 14.297 -3.586 -3.102 1.00 12.11 O ATOM 1782 CG2 THR A 117 12.536 -2.602 -4.424 1.00 11.71 C ATOM 0 H THR A 117 12.118 -4.885 -0.631 1.00 10.92 H new ATOM 0 HA THR A 117 12.183 -2.281 -1.802 1.00 10.75 H new ATOM 0 HB THR A 117 12.614 -4.612 -3.700 1.00 11.45 H new ATOM 0 HG1 THR A 117 14.490 -2.937 -2.393 1.00 12.11 H new ATOM 0 HG21 THR A 117 13.106 -2.817 -5.328 1.00 11.71 H new ATOM 0 HG22 THR A 117 11.470 -2.660 -4.645 1.00 11.71 H new ATOM 0 HG23 THR A 117 12.779 -1.600 -4.071 1.00 11.71 H new ATOM 1790 N ALA A 118 9.829 -2.632 -2.704 1.00 9.99 N ATOM 1791 CA ALA A 118 8.386 -2.786 -2.902 1.00 9.78 C ATOM 1792 C ALA A 118 7.787 -1.591 -3.631 1.00 9.60 C ATOM 1793 O ALA A 118 8.442 -0.557 -3.796 1.00 9.55 O ATOM 1794 CB ALA A 118 7.662 -2.977 -1.583 1.00 9.47 C ATOM 0 H ALA A 118 10.176 -1.687 -2.868 1.00 9.99 H new ATOM 0 HA ALA A 118 8.253 -3.677 -3.515 1.00 9.78 H new ATOM 0 HB1 ALA A 118 6.593 -3.088 -1.767 1.00 9.47 H new ATOM 0 HB2 ALA A 118 8.040 -3.871 -1.087 1.00 9.47 H new ATOM 0 HB3 ALA A 118 7.832 -2.109 -0.946 1.00 9.47 H new ATOM 1800 N ASP A 119 6.546 -1.766 -4.075 1.00 9.67 N ATOM 1801 CA ASP A 119 5.754 -0.707 -4.689 1.00 9.53 C ATOM 1802 C ASP A 119 4.329 -0.734 -4.105 1.00 9.23 C ATOM 1803 O ASP A 119 3.556 -1.654 -4.356 1.00 9.46 O ATOM 1804 CB ASP A 119 5.751 -0.886 -6.219 1.00 10.06 C ATOM 1805 CG ASP A 119 4.438 -0.526 -6.893 1.00 10.01 C ATOM 1806 OD1 ASP A 119 4.059 0.666 -6.864 1.00 9.84 O ATOM 1807 OD2 ASP A 119 3.756 -1.428 -7.415 1.00 10.21 O ATOM 0 H ASP A 119 6.056 -2.659 -4.017 1.00 9.67 H new ATOM 0 HA ASP A 119 6.189 0.268 -4.470 1.00 9.53 H new ATOM 0 HB2 ASP A 119 6.544 -0.272 -6.645 1.00 10.06 H new ATOM 0 HB3 ASP A 119 5.992 -1.923 -6.451 1.00 10.06 H new ATOM 1812 N VAL A 120 3.997 0.258 -3.284 1.00 8.97 N ATOM 1813 CA VAL A 120 2.717 0.282 -2.588 1.00 8.93 C ATOM 1814 C VAL A 120 1.805 1.365 -3.168 1.00 8.97 C ATOM 1815 O VAL A 120 2.268 2.264 -3.868 1.00 9.03 O ATOM 1816 CB VAL A 120 2.911 0.506 -1.068 1.00 9.02 C ATOM 1817 CG1 VAL A 120 4.130 -0.251 -0.566 1.00 9.07 C ATOM 1818 CG2 VAL A 120 3.046 1.980 -0.751 1.00 9.06 C ATOM 0 H VAL A 120 4.599 1.057 -3.085 1.00 8.97 H new ATOM 0 HA VAL A 120 2.244 -0.689 -2.733 1.00 8.93 H new ATOM 0 HB VAL A 120 2.027 0.124 -0.558 1.00 9.02 H new ATOM 0 HG11 VAL A 120 4.249 -0.081 0.504 1.00 9.07 H new ATOM 0 HG12 VAL A 120 3.998 -1.317 -0.751 1.00 9.07 H new ATOM 0 HG13 VAL A 120 5.018 0.101 -1.090 1.00 9.07 H new ATOM 0 HG21 VAL A 120 3.181 2.110 0.323 1.00 9.06 H new ATOM 0 HG22 VAL A 120 3.909 2.388 -1.278 1.00 9.06 H new ATOM 0 HG23 VAL A 120 2.145 2.505 -1.070 1.00 9.06 H new ATOM 1828 N HIS A 121 0.511 1.276 -2.889 1.00 9.13 N ATOM 1829 CA HIS A 121 -0.449 2.197 -3.461 1.00 9.24 C ATOM 1830 C HIS A 121 -1.411 2.734 -2.414 1.00 9.55 C ATOM 1831 O HIS A 121 -2.061 1.964 -1.708 1.00 9.80 O ATOM 1832 CB HIS A 121 -1.243 1.480 -4.545 1.00 9.38 C ATOM 1833 CG HIS A 121 -0.750 1.772 -5.922 1.00 9.45 C ATOM 1834 ND1 HIS A 121 0.068 0.918 -6.629 1.00 9.62 N ATOM 1835 CD2 HIS A 121 -0.962 2.836 -6.724 1.00 9.62 C ATOM 1836 CE1 HIS A 121 0.335 1.443 -7.805 1.00 9.94 C ATOM 1837 NE2 HIS A 121 -0.278 2.610 -7.893 1.00 9.93 N ATOM 0 H HIS A 121 0.107 0.574 -2.269 1.00 9.13 H new ATOM 0 HA HIS A 121 0.101 3.041 -3.878 1.00 9.24 H new ATOM 0 HB2 HIS A 121 -1.197 0.405 -4.370 1.00 9.38 H new ATOM 0 HB3 HIS A 121 -2.291 1.771 -4.472 1.00 9.38 H new ATOM 0 HD2 HIS A 121 -1.559 3.705 -6.490 1.00 9.62 H new ATOM 0 HE1 HIS A 121 0.952 0.995 -8.570 1.00 9.94 H new ATOM 0 HE2 HIS A 121 -0.248 3.239 -8.696 1.00 9.93 H new ATOM 1846 N PHE A 122 -1.491 4.053 -2.307 1.00 9.77 N ATOM 1847 CA PHE A 122 -2.536 4.682 -1.519 1.00 10.32 C ATOM 1848 C PHE A 122 -3.539 5.333 -2.462 1.00 10.49 C ATOM 1849 O PHE A 122 -3.173 5.778 -3.548 1.00 10.27 O ATOM 1850 CB PHE A 122 -1.970 5.722 -0.541 1.00 10.72 C ATOM 1851 CG PHE A 122 -0.487 5.628 -0.320 1.00 10.49 C ATOM 1852 CD1 PHE A 122 0.037 4.708 0.572 1.00 10.52 C ATOM 1853 CD2 PHE A 122 0.381 6.457 -1.008 1.00 10.41 C ATOM 1854 CE1 PHE A 122 1.398 4.616 0.774 1.00 10.36 C ATOM 1855 CE2 PHE A 122 1.744 6.370 -0.812 1.00 10.34 C ATOM 1856 CZ PHE A 122 2.251 5.466 0.100 1.00 10.28 C ATOM 0 H PHE A 122 -0.846 4.704 -2.755 1.00 9.77 H new ATOM 0 HA PHE A 122 -3.027 3.915 -0.919 1.00 10.32 H new ATOM 0 HB2 PHE A 122 -2.206 6.719 -0.914 1.00 10.72 H new ATOM 0 HB3 PHE A 122 -2.475 5.612 0.419 1.00 10.72 H new ATOM 0 HD1 PHE A 122 -0.628 4.054 1.116 1.00 10.52 H new ATOM 0 HD2 PHE A 122 -0.013 7.181 -1.706 1.00 10.41 H new ATOM 0 HE1 PHE A 122 1.795 3.881 1.458 1.00 10.36 H new ATOM 0 HE2 PHE A 122 2.413 7.008 -1.371 1.00 10.34 H new ATOM 0 HZ PHE A 122 3.314 5.424 0.286 1.00 10.28 H new ATOM 1866 N GLU A 123 -4.798 5.381 -2.049 1.00 11.02 N ATOM 1867 CA GLU A 123 -5.873 5.862 -2.915 1.00 11.27 C ATOM 1868 C GLU A 123 -5.803 7.372 -3.122 1.00 11.67 C ATOM 1869 O GLU A 123 -6.383 7.903 -4.068 1.00 11.87 O ATOM 1870 CB GLU A 123 -7.232 5.482 -2.327 1.00 11.83 C ATOM 1871 CG GLU A 123 -7.258 5.486 -0.808 1.00 11.97 C ATOM 1872 CD GLU A 123 -8.611 5.857 -0.253 1.00 12.34 C ATOM 1873 OE1 GLU A 123 -8.962 7.051 -0.278 1.00 12.45 O ATOM 1874 OE2 GLU A 123 -9.332 4.954 0.215 1.00 12.67 O ATOM 0 H GLU A 123 -5.103 5.093 -1.119 1.00 11.02 H new ATOM 0 HA GLU A 123 -5.749 5.386 -3.887 1.00 11.27 H new ATOM 0 HB2 GLU A 123 -7.986 6.177 -2.697 1.00 11.83 H new ATOM 0 HB3 GLU A 123 -7.509 4.490 -2.685 1.00 11.83 H new ATOM 0 HG2 GLU A 123 -6.977 4.499 -0.441 1.00 11.97 H new ATOM 0 HG3 GLU A 123 -6.512 6.189 -0.437 1.00 11.97 H new ATOM 1881 N ARG A 124 -5.103 8.061 -2.233 1.00 11.93 N ATOM 1882 CA ARG A 124 -4.981 9.509 -2.318 1.00 12.58 C ATOM 1883 C ARG A 124 -3.541 9.903 -2.609 1.00 12.40 C ATOM 1884 O ARG A 124 -2.610 9.350 -2.023 1.00 12.05 O ATOM 1885 CB ARG A 124 -5.438 10.165 -1.021 1.00 13.34 C ATOM 1886 CG ARG A 124 -6.789 9.681 -0.515 1.00 13.64 C ATOM 1887 CD ARG A 124 -7.026 10.105 0.927 1.00 14.19 C ATOM 1888 NE ARG A 124 -6.820 9.001 1.869 1.00 14.36 N ATOM 1889 CZ ARG A 124 -5.633 8.651 2.364 1.00 14.72 C ATOM 1890 NH1 ARG A 124 -4.549 9.352 2.062 1.00 14.94 N ATOM 1891 NH2 ARG A 124 -5.527 7.620 3.195 1.00 15.04 N ATOM 0 H ARG A 124 -4.611 7.641 -1.445 1.00 11.93 H new ATOM 0 HA ARG A 124 -5.619 9.855 -3.132 1.00 12.58 H new ATOM 0 HB2 ARG A 124 -4.688 9.982 -0.251 1.00 13.34 H new ATOM 0 HB3 ARG A 124 -5.485 11.244 -1.170 1.00 13.34 H new ATOM 0 HG2 ARG A 124 -7.581 10.081 -1.148 1.00 13.64 H new ATOM 0 HG3 ARG A 124 -6.839 8.595 -0.589 1.00 13.64 H new ATOM 0 HD2 ARG A 124 -6.353 10.925 1.178 1.00 14.19 H new ATOM 0 HD3 ARG A 124 -8.043 10.484 1.030 1.00 14.19 H new ATOM 0 HE ARG A 124 -7.637 8.467 2.164 1.00 14.36 H new ATOM 0 HH11 ARG A 124 -4.621 10.163 1.448 1.00 14.94 H new ATOM 0 HH12 ARG A 124 -3.643 9.080 2.444 1.00 14.94 H new ATOM 0 HH21 ARG A 124 -6.358 7.090 3.459 1.00 15.04 H new ATOM 0 HH22 ARG A 124 -4.615 7.358 3.569 1.00 15.04 H new ATOM 1905 N ARG A 125 -3.367 10.865 -3.502 1.00 12.78 N ATOM 1906 CA ARG A 125 -2.042 11.296 -3.929 1.00 12.90 C ATOM 1907 C ARG A 125 -1.308 12.074 -2.837 1.00 13.56 C ATOM 1908 O ARG A 125 -0.081 12.039 -2.767 1.00 13.55 O ATOM 1909 CB ARG A 125 -2.153 12.158 -5.185 1.00 13.36 C ATOM 1910 CG ARG A 125 -2.801 11.446 -6.359 1.00 13.29 C ATOM 1911 CD ARG A 125 -3.547 12.421 -7.254 1.00 13.69 C ATOM 1912 NE ARG A 125 -4.972 12.108 -7.335 1.00 14.28 N ATOM 1913 CZ ARG A 125 -5.717 12.305 -8.419 1.00 14.61 C ATOM 1914 NH1 ARG A 125 -5.177 12.839 -9.509 1.00 14.43 N ATOM 1915 NH2 ARG A 125 -7.004 11.976 -8.412 1.00 15.26 N ATOM 0 H ARG A 125 -4.134 11.367 -3.950 1.00 12.78 H new ATOM 0 HA ARG A 125 -1.463 10.398 -4.143 1.00 12.90 H new ATOM 0 HB2 ARG A 125 -2.730 13.053 -4.951 1.00 13.36 H new ATOM 0 HB3 ARG A 125 -1.156 12.489 -5.477 1.00 13.36 H new ATOM 0 HG2 ARG A 125 -2.037 10.928 -6.939 1.00 13.29 H new ATOM 0 HG3 ARG A 125 -3.491 10.687 -5.991 1.00 13.29 H new ATOM 0 HD2 ARG A 125 -3.419 13.434 -6.873 1.00 13.69 H new ATOM 0 HD3 ARG A 125 -3.114 12.400 -8.254 1.00 13.69 H new ATOM 0 HE ARG A 125 -5.423 11.714 -6.509 1.00 14.28 H new ATOM 0 HH11 ARG A 125 -4.190 13.098 -9.515 1.00 14.43 H new ATOM 0 HH12 ARG A 125 -5.749 12.990 -10.340 1.00 14.43 H new ATOM 0 HH21 ARG A 125 -7.422 11.572 -7.574 1.00 15.26 H new ATOM 0 HH22 ARG A 125 -7.574 12.128 -9.244 1.00 15.26 H new ATOM 1929 N ALA A 126 -2.052 12.783 -1.994 1.00 14.24 N ATOM 1930 CA ALA A 126 -1.449 13.585 -0.928 1.00 15.01 C ATOM 1931 C ALA A 126 -0.630 12.726 0.031 1.00 14.54 C ATOM 1932 O ALA A 126 0.412 13.157 0.522 1.00 14.95 O ATOM 1933 CB ALA A 126 -2.512 14.351 -0.161 1.00 15.90 C ATOM 0 H ALA A 126 -3.071 12.821 -2.026 1.00 14.24 H new ATOM 0 HA ALA A 126 -0.774 14.296 -1.404 1.00 15.01 H new ATOM 0 HB1 ALA A 126 -2.040 14.939 0.626 1.00 15.90 H new ATOM 0 HB2 ALA A 126 -3.044 15.016 -0.842 1.00 15.90 H new ATOM 0 HB3 ALA A 126 -3.216 13.649 0.284 1.00 15.90 H new ATOM 1939 N ASP A 127 -1.110 11.517 0.297 1.00 13.75 N ATOM 1940 CA ASP A 127 -0.371 10.564 1.127 1.00 13.28 C ATOM 1941 C ASP A 127 1.013 10.306 0.536 1.00 12.77 C ATOM 1942 O ASP A 127 1.992 10.114 1.258 1.00 12.74 O ATOM 1943 CB ASP A 127 -1.136 9.246 1.270 1.00 12.65 C ATOM 1944 CG ASP A 127 -1.413 8.890 2.721 1.00 13.12 C ATOM 1945 OD1 ASP A 127 -0.652 9.341 3.606 1.00 13.24 O ATOM 1946 OD2 ASP A 127 -2.370 8.138 2.987 1.00 13.51 O ATOM 0 H ASP A 127 -2.005 11.171 -0.048 1.00 13.75 H new ATOM 0 HA ASP A 127 -0.258 11.001 2.119 1.00 13.28 H new ATOM 0 HB2 ASP A 127 -2.080 9.317 0.730 1.00 12.65 H new ATOM 0 HB3 ASP A 127 -0.562 8.444 0.805 1.00 12.65 H new ATOM 1951 N ALA A 128 1.098 10.359 -0.788 1.00 12.51 N ATOM 1952 CA ALA A 128 2.361 10.155 -1.479 1.00 12.26 C ATOM 1953 C ALA A 128 3.176 11.437 -1.471 1.00 13.19 C ATOM 1954 O ALA A 128 4.403 11.409 -1.448 1.00 13.28 O ATOM 1955 CB ALA A 128 2.128 9.692 -2.906 1.00 11.90 C ATOM 0 H ALA A 128 0.305 10.542 -1.403 1.00 12.51 H new ATOM 0 HA ALA A 128 2.916 9.378 -0.954 1.00 12.26 H new ATOM 0 HB1 ALA A 128 3.087 9.546 -3.402 1.00 11.90 H new ATOM 0 HB2 ALA A 128 1.577 8.752 -2.898 1.00 11.90 H new ATOM 0 HB3 ALA A 128 1.552 10.445 -3.444 1.00 11.90 H new ATOM 1961 N LEU A 129 2.482 12.565 -1.491 1.00 13.95 N ATOM 1962 CA LEU A 129 3.131 13.864 -1.417 1.00 15.01 C ATOM 1963 C LEU A 129 3.800 14.030 -0.059 1.00 15.35 C ATOM 1964 O LEU A 129 4.963 14.424 0.031 1.00 15.80 O ATOM 1965 CB LEU A 129 2.121 14.988 -1.649 1.00 15.79 C ATOM 1966 CG LEU A 129 2.657 16.397 -1.401 1.00 17.00 C ATOM 1967 CD1 LEU A 129 2.539 17.240 -2.657 1.00 17.52 C ATOM 1968 CD2 LEU A 129 1.918 17.049 -0.240 1.00 17.74 C ATOM 0 H LEU A 129 1.465 12.606 -1.558 1.00 13.95 H new ATOM 0 HA LEU A 129 3.889 13.920 -2.199 1.00 15.01 H new ATOM 0 HB2 LEU A 129 1.762 14.927 -2.676 1.00 15.79 H new ATOM 0 HB3 LEU A 129 1.261 14.823 -1.000 1.00 15.79 H new ATOM 0 HG LEU A 129 3.712 16.326 -1.138 1.00 17.00 H new ATOM 0 HD11 LEU A 129 2.926 18.240 -2.462 1.00 17.52 H new ATOM 0 HD12 LEU A 129 3.114 16.779 -3.460 1.00 17.52 H new ATOM 0 HD13 LEU A 129 1.492 17.307 -2.953 1.00 17.52 H new ATOM 0 HD21 LEU A 129 2.311 18.052 -0.076 1.00 17.74 H new ATOM 0 HD22 LEU A 129 0.855 17.110 -0.473 1.00 17.74 H new ATOM 0 HD23 LEU A 129 2.058 16.452 0.661 1.00 17.74 H new ATOM 1980 N LYS A 130 3.064 13.697 0.993 1.00 15.21 N ATOM 1981 CA LYS A 130 3.599 13.739 2.344 1.00 15.60 C ATOM 1982 C LYS A 130 4.788 12.793 2.444 1.00 14.90 C ATOM 1983 O LYS A 130 5.807 13.111 3.054 1.00 15.34 O ATOM 1984 CB LYS A 130 2.519 13.350 3.363 1.00 15.68 C ATOM 1985 CG LYS A 130 2.990 12.368 4.432 1.00 15.55 C ATOM 1986 CD LYS A 130 2.931 12.984 5.817 1.00 15.23 C ATOM 1987 CE LYS A 130 1.800 12.393 6.639 1.00 15.09 C ATOM 1988 NZ LYS A 130 0.927 13.446 7.218 1.00 15.23 N ATOM 0 H LYS A 130 2.092 13.394 0.934 1.00 15.21 H new ATOM 0 HA LYS A 130 3.926 14.754 2.569 1.00 15.60 H new ATOM 0 HB2 LYS A 130 2.154 14.254 3.851 1.00 15.68 H new ATOM 0 HB3 LYS A 130 1.674 12.912 2.831 1.00 15.68 H new ATOM 0 HG2 LYS A 130 2.369 11.473 4.404 1.00 15.55 H new ATOM 0 HG3 LYS A 130 4.011 12.055 4.215 1.00 15.55 H new ATOM 0 HD2 LYS A 130 3.879 12.821 6.330 1.00 15.23 H new ATOM 0 HD3 LYS A 130 2.796 14.062 5.732 1.00 15.23 H new ATOM 0 HE2 LYS A 130 1.203 11.731 6.012 1.00 15.09 H new ATOM 0 HE3 LYS A 130 2.215 11.783 7.442 1.00 15.09 H new ATOM 0 HZ1 LYS A 130 0.167 13.001 7.772 1.00 15.23 H new ATOM 0 HZ2 LYS A 130 1.491 14.063 7.837 1.00 15.23 H new ATOM 0 HZ3 LYS A 130 0.511 14.012 6.451 1.00 15.23 H new ATOM 2002 N ALA A 131 4.651 11.637 1.813 1.00 13.87 N ATOM 2003 CA ALA A 131 5.700 10.635 1.828 1.00 13.19 C ATOM 2004 C ALA A 131 6.909 11.086 1.011 1.00 13.49 C ATOM 2005 O ALA A 131 8.038 10.734 1.330 1.00 13.49 O ATOM 2006 CB ALA A 131 5.171 9.308 1.326 1.00 12.14 C ATOM 0 H ALA A 131 3.821 11.371 1.284 1.00 13.87 H new ATOM 0 HA ALA A 131 6.030 10.506 2.859 1.00 13.19 H new ATOM 0 HB1 ALA A 131 5.971 8.567 1.344 1.00 12.14 H new ATOM 0 HB2 ALA A 131 4.354 8.976 1.967 1.00 12.14 H new ATOM 0 HB3 ALA A 131 4.807 9.424 0.305 1.00 12.14 H new ATOM 2012 N MET A 132 6.683 11.870 -0.040 1.00 13.87 N ATOM 2013 CA MET A 132 7.783 12.435 -0.813 1.00 14.40 C ATOM 2014 C MET A 132 8.499 13.523 -0.011 1.00 15.49 C ATOM 2015 O MET A 132 9.647 13.857 -0.289 1.00 16.00 O ATOM 2016 CB MET A 132 7.272 12.986 -2.156 1.00 14.59 C ATOM 2017 CG MET A 132 7.097 14.500 -2.196 1.00 15.65 C ATOM 2018 SD MET A 132 6.940 15.147 -3.874 1.00 16.00 S ATOM 2019 CE MET A 132 5.352 14.467 -4.356 1.00 15.55 C ATOM 0 H MET A 132 5.754 12.127 -0.374 1.00 13.87 H new ATOM 0 HA MET A 132 8.501 11.643 -1.024 1.00 14.40 H new ATOM 0 HB2 MET A 132 7.968 12.693 -2.942 1.00 14.59 H new ATOM 0 HB3 MET A 132 6.315 12.517 -2.386 1.00 14.59 H new ATOM 0 HG2 MET A 132 6.211 14.773 -1.623 1.00 15.65 H new ATOM 0 HG3 MET A 132 7.950 14.972 -1.709 1.00 15.65 H new ATOM 0 HE1 MET A 132 5.264 14.483 -5.442 1.00 15.55 H new ATOM 0 HE2 MET A 132 5.273 13.440 -4.000 1.00 15.55 H new ATOM 0 HE3 MET A 132 4.552 15.065 -3.919 1.00 15.55 H new ATOM 2029 N LYS A 133 7.816 14.085 0.975 1.00 15.95 N ATOM 2030 CA LYS A 133 8.438 15.056 1.865 1.00 17.04 C ATOM 2031 C LYS A 133 9.109 14.360 3.048 1.00 16.95 C ATOM 2032 O LYS A 133 10.131 14.820 3.553 1.00 17.55 O ATOM 2033 CB LYS A 133 7.397 16.051 2.378 1.00 17.76 C ATOM 2034 CG LYS A 133 7.294 17.307 1.536 1.00 18.70 C ATOM 2035 CD LYS A 133 6.063 17.275 0.648 1.00 18.27 C ATOM 2036 CE LYS A 133 5.314 18.596 0.682 1.00 18.99 C ATOM 2037 NZ LYS A 133 4.715 18.870 2.019 1.00 19.60 N ATOM 0 H LYS A 133 6.836 13.887 1.179 1.00 15.95 H new ATOM 0 HA LYS A 133 9.199 15.592 1.298 1.00 17.04 H new ATOM 0 HB2 LYS A 133 6.423 15.562 2.408 1.00 17.76 H new ATOM 0 HB3 LYS A 133 7.646 16.329 3.402 1.00 17.76 H new ATOM 0 HG2 LYS A 133 7.254 18.181 2.186 1.00 18.70 H new ATOM 0 HG3 LYS A 133 8.187 17.409 0.920 1.00 18.70 H new ATOM 0 HD2 LYS A 133 6.359 17.050 -0.377 1.00 18.27 H new ATOM 0 HD3 LYS A 133 5.401 16.472 0.972 1.00 18.27 H new ATOM 0 HE2 LYS A 133 5.996 19.405 0.419 1.00 18.99 H new ATOM 0 HE3 LYS A 133 4.526 18.585 -0.072 1.00 18.99 H new ATOM 0 HZ1 LYS A 133 3.933 19.547 1.917 1.00 19.60 H new ATOM 0 HZ2 LYS A 133 4.354 17.984 2.426 1.00 19.60 H new ATOM 0 HZ3 LYS A 133 5.440 19.270 2.649 1.00 19.60 H new ATOM 2051 N GLN A 134 8.518 13.259 3.489 1.00 16.27 N ATOM 2052 CA GLN A 134 9.009 12.538 4.659 1.00 16.27 C ATOM 2053 C GLN A 134 9.964 11.414 4.273 1.00 15.45 C ATOM 2054 O GLN A 134 11.151 11.462 4.596 1.00 15.79 O ATOM 2055 CB GLN A 134 7.829 11.969 5.454 1.00 16.14 C ATOM 2056 CG GLN A 134 7.601 12.660 6.789 1.00 17.25 C ATOM 2057 CD GLN A 134 6.756 13.913 6.663 1.00 18.04 C ATOM 2058 OE1 GLN A 134 5.698 14.031 7.283 1.00 18.75 O ATOM 2059 NE2 GLN A 134 7.216 14.857 5.858 1.00 18.01 N ATOM 0 H GLN A 134 7.695 12.843 3.054 1.00 16.27 H new ATOM 0 HA GLN A 134 9.562 13.246 5.276 1.00 16.27 H new ATOM 0 HB2 GLN A 134 6.924 12.052 4.853 1.00 16.14 H new ATOM 0 HB3 GLN A 134 7.999 10.907 5.629 1.00 16.14 H new ATOM 0 HG2 GLN A 134 7.114 11.966 7.474 1.00 17.25 H new ATOM 0 HG3 GLN A 134 8.564 12.919 7.229 1.00 17.25 H new ATOM 0 HE21 GLN A 134 8.097 14.720 5.363 1.00 18.01 H new ATOM 0 HE22 GLN A 134 6.690 15.722 5.733 1.00 18.01 H new ATOM 2068 N TYR A 135 9.445 10.414 3.569 1.00 14.42 N ATOM 2069 CA TYR A 135 10.222 9.220 3.241 1.00 13.63 C ATOM 2070 C TYR A 135 11.317 9.513 2.220 1.00 13.70 C ATOM 2071 O TYR A 135 12.381 8.904 2.260 1.00 13.69 O ATOM 2072 CB TYR A 135 9.311 8.105 2.726 1.00 12.62 C ATOM 2073 CG TYR A 135 9.320 6.863 3.592 1.00 12.47 C ATOM 2074 CD1 TYR A 135 10.269 6.699 4.590 1.00 12.60 C ATOM 2075 CD2 TYR A 135 8.383 5.851 3.408 1.00 12.42 C ATOM 2076 CE1 TYR A 135 10.288 5.563 5.379 1.00 12.68 C ATOM 2077 CE2 TYR A 135 8.394 4.715 4.194 1.00 12.52 C ATOM 2078 CZ TYR A 135 9.323 4.584 5.188 1.00 12.67 C ATOM 2079 OH TYR A 135 9.369 3.441 5.954 1.00 12.97 O ATOM 0 H TYR A 135 8.489 10.405 3.213 1.00 14.42 H new ATOM 0 HA TYR A 135 10.704 8.891 4.161 1.00 13.63 H new ATOM 0 HB2 TYR A 135 8.291 8.483 2.659 1.00 12.62 H new ATOM 0 HB3 TYR A 135 9.618 7.835 1.716 1.00 12.62 H new ATOM 0 HD1 TYR A 135 11.006 7.471 4.754 1.00 12.60 H new ATOM 0 HD2 TYR A 135 7.634 5.955 2.637 1.00 12.42 H new ATOM 0 HE1 TYR A 135 11.047 5.439 6.137 1.00 12.68 H new ATOM 0 HE2 TYR A 135 7.670 3.932 4.023 1.00 12.52 H new ATOM 0 HH TYR A 135 8.627 2.851 5.706 1.00 12.97 H new ATOM 2089 N LYS A 136 11.059 10.428 1.298 1.00 13.88 N ATOM 2090 CA LYS A 136 12.084 10.818 0.339 1.00 14.15 C ATOM 2091 C LYS A 136 13.189 11.578 1.057 1.00 15.09 C ATOM 2092 O LYS A 136 12.919 12.393 1.940 1.00 15.85 O ATOM 2093 CB LYS A 136 11.499 11.668 -0.783 1.00 14.36 C ATOM 2094 CG LYS A 136 11.481 10.964 -2.128 1.00 14.69 C ATOM 2095 CD LYS A 136 12.045 11.844 -3.231 1.00 15.46 C ATOM 2096 CE LYS A 136 11.139 11.847 -4.451 1.00 15.93 C ATOM 2097 NZ LYS A 136 11.869 12.215 -5.693 1.00 16.56 N ATOM 0 H LYS A 136 10.165 10.908 1.193 1.00 13.88 H new ATOM 0 HA LYS A 136 12.497 9.915 -0.112 1.00 14.15 H new ATOM 0 HB2 LYS A 136 10.481 11.955 -0.518 1.00 14.36 H new ATOM 0 HB3 LYS A 136 12.077 12.588 -0.871 1.00 14.36 H new ATOM 0 HG2 LYS A 136 12.061 10.043 -2.065 1.00 14.69 H new ATOM 0 HG3 LYS A 136 10.458 10.680 -2.376 1.00 14.69 H new ATOM 0 HD2 LYS A 136 12.165 12.862 -2.861 1.00 15.46 H new ATOM 0 HD3 LYS A 136 13.036 11.488 -3.512 1.00 15.46 H new ATOM 0 HE2 LYS A 136 10.693 10.860 -4.573 1.00 15.93 H new ATOM 0 HE3 LYS A 136 10.320 12.549 -4.292 1.00 15.93 H new ATOM 0 HZ1 LYS A 136 11.211 12.204 -6.499 1.00 16.56 H new ATOM 0 HZ2 LYS A 136 12.273 13.168 -5.589 1.00 16.56 H new ATOM 0 HZ3 LYS A 136 12.634 11.531 -5.861 1.00 16.56 H new ATOM 2111 N GLY A 137 14.428 11.308 0.683 1.00 15.10 N ATOM 2112 CA GLY A 137 15.551 11.870 1.400 1.00 15.97 C ATOM 2113 C GLY A 137 15.882 11.079 2.650 1.00 15.85 C ATOM 2114 O GLY A 137 16.784 11.447 3.404 1.00 16.53 O ATOM 0 H GLY A 137 14.677 10.709 -0.105 1.00 15.10 H new ATOM 0 HA2 GLY A 137 16.423 11.895 0.746 1.00 15.97 H new ATOM 0 HA3 GLY A 137 15.327 12.901 1.673 1.00 15.97 H new ATOM 2118 N VAL A 138 15.154 9.992 2.876 1.00 15.06 N ATOM 2119 CA VAL A 138 15.390 9.147 4.037 1.00 15.00 C ATOM 2120 C VAL A 138 16.372 8.023 3.693 1.00 14.61 C ATOM 2121 O VAL A 138 16.335 7.455 2.595 1.00 13.92 O ATOM 2122 CB VAL A 138 14.056 8.575 4.599 1.00 14.53 C ATOM 2123 CG1 VAL A 138 13.998 7.053 4.529 1.00 14.37 C ATOM 2124 CG2 VAL A 138 13.835 9.052 6.026 1.00 14.92 C ATOM 0 H VAL A 138 14.396 9.676 2.270 1.00 15.06 H new ATOM 0 HA VAL A 138 15.837 9.762 4.818 1.00 15.00 H new ATOM 0 HB VAL A 138 13.253 8.953 3.966 1.00 14.53 H new ATOM 0 HG11 VAL A 138 13.047 6.706 4.933 1.00 14.37 H new ATOM 0 HG12 VAL A 138 14.089 6.733 3.491 1.00 14.37 H new ATOM 0 HG13 VAL A 138 14.816 6.631 5.112 1.00 14.37 H new ATOM 0 HG21 VAL A 138 12.898 8.644 6.405 1.00 14.92 H new ATOM 0 HG22 VAL A 138 14.659 8.714 6.654 1.00 14.92 H new ATOM 0 HG23 VAL A 138 13.789 10.141 6.043 1.00 14.92 H new ATOM 2134 N PRO A 139 17.296 7.724 4.614 1.00 15.15 N ATOM 2135 CA PRO A 139 18.269 6.660 4.431 1.00 14.91 C ATOM 2136 C PRO A 139 17.736 5.296 4.858 1.00 14.45 C ATOM 2137 O PRO A 139 16.609 5.175 5.344 1.00 14.71 O ATOM 2138 CB PRO A 139 19.416 7.098 5.338 1.00 15.76 C ATOM 2139 CG PRO A 139 18.760 7.843 6.452 1.00 16.48 C ATOM 2140 CD PRO A 139 17.478 8.419 5.902 1.00 16.12 C ATOM 0 HA PRO A 139 18.549 6.529 3.386 1.00 14.91 H new ATOM 0 HB2 PRO A 139 19.974 6.240 5.711 1.00 15.76 H new ATOM 0 HB3 PRO A 139 20.124 7.730 4.802 1.00 15.76 H new ATOM 0 HG2 PRO A 139 18.555 7.179 7.292 1.00 16.48 H new ATOM 0 HG3 PRO A 139 19.411 8.635 6.822 1.00 16.48 H new ATOM 0 HD2 PRO A 139 16.639 8.239 6.574 1.00 16.12 H new ATOM 0 HD3 PRO A 139 17.552 9.498 5.766 1.00 16.12 H new ATOM 2148 N LEU A 140 18.557 4.280 4.666 1.00 13.94 N ATOM 2149 CA LEU A 140 18.227 2.928 5.072 1.00 13.62 C ATOM 2150 C LEU A 140 19.507 2.179 5.400 1.00 13.69 C ATOM 2151 O LEU A 140 20.131 1.588 4.518 1.00 13.37 O ATOM 2152 CB LEU A 140 17.454 2.194 3.970 1.00 12.88 C ATOM 2153 CG LEU A 140 16.174 1.488 4.432 1.00 12.84 C ATOM 2154 CD1 LEU A 140 15.486 0.812 3.257 1.00 13.08 C ATOM 2155 CD2 LEU A 140 16.484 0.470 5.522 1.00 12.35 C ATOM 0 H LEU A 140 19.472 4.370 4.224 1.00 13.94 H new ATOM 0 HA LEU A 140 17.589 2.972 5.954 1.00 13.62 H new ATOM 0 HB2 LEU A 140 17.194 2.911 3.191 1.00 12.88 H new ATOM 0 HB3 LEU A 140 18.114 1.455 3.516 1.00 12.88 H new ATOM 0 HG LEU A 140 15.500 2.239 4.845 1.00 12.84 H new ATOM 0 HD11 LEU A 140 14.579 0.316 3.603 1.00 13.08 H new ATOM 0 HD12 LEU A 140 15.227 1.560 2.508 1.00 13.08 H new ATOM 0 HD13 LEU A 140 16.158 0.075 2.817 1.00 13.08 H new ATOM 0 HD21 LEU A 140 15.562 -0.019 5.836 1.00 12.35 H new ATOM 0 HD22 LEU A 140 17.178 -0.277 5.136 1.00 12.35 H new ATOM 0 HD23 LEU A 140 16.934 0.977 6.376 1.00 12.35 H new ATOM 2167 N ASP A 141 19.881 2.221 6.676 1.00 14.24 N ATOM 2168 CA ASP A 141 21.103 1.587 7.170 1.00 14.50 C ATOM 2169 C ASP A 141 22.333 2.027 6.376 1.00 14.65 C ATOM 2170 O ASP A 141 22.704 1.408 5.375 1.00 14.60 O ATOM 2171 CB ASP A 141 20.970 0.061 7.135 1.00 14.25 C ATOM 2172 CG ASP A 141 22.025 -0.640 7.969 1.00 14.67 C ATOM 2173 OD1 ASP A 141 22.574 -0.011 8.903 1.00 15.08 O ATOM 2174 OD2 ASP A 141 22.308 -1.827 7.705 1.00 14.68 O ATOM 0 H ASP A 141 19.344 2.697 7.400 1.00 14.24 H new ATOM 0 HA ASP A 141 21.241 1.909 8.202 1.00 14.50 H new ATOM 0 HB2 ASP A 141 19.981 -0.221 7.496 1.00 14.25 H new ATOM 0 HB3 ASP A 141 21.042 -0.282 6.103 1.00 14.25 H new ATOM 2179 N GLY A 142 22.957 3.114 6.797 1.00 14.99 N ATOM 2180 CA GLY A 142 24.192 3.527 6.173 1.00 15.30 C ATOM 2181 C GLY A 142 23.984 4.559 5.090 1.00 15.13 C ATOM 2182 O GLY A 142 24.499 5.671 5.179 1.00 15.53 O ATOM 0 H GLY A 142 22.632 3.714 7.555 1.00 14.99 H new ATOM 0 HA2 GLY A 142 24.859 3.934 6.933 1.00 15.30 H new ATOM 0 HA3 GLY A 142 24.688 2.655 5.747 1.00 15.30 H new ATOM 2186 N ARG A 143 23.224 4.203 4.069 1.00 14.64 N ATOM 2187 CA ARG A 143 23.047 5.081 2.917 1.00 14.58 C ATOM 2188 C ARG A 143 21.576 5.401 2.679 1.00 14.18 C ATOM 2189 O ARG A 143 20.700 4.635 3.078 1.00 13.64 O ATOM 2190 CB ARG A 143 23.646 4.430 1.666 1.00 14.55 C ATOM 2191 CG ARG A 143 22.905 3.182 1.207 1.00 14.62 C ATOM 2192 CD ARG A 143 22.494 3.284 -0.253 1.00 15.01 C ATOM 2193 NE ARG A 143 23.022 2.179 -1.053 1.00 15.55 N ATOM 2194 CZ ARG A 143 23.096 2.191 -2.384 1.00 16.06 C ATOM 2195 NH1 ARG A 143 22.669 3.244 -3.070 1.00 16.09 N ATOM 2196 NH2 ARG A 143 23.597 1.146 -3.030 1.00 16.66 N ATOM 0 H ARG A 143 22.721 3.318 4.010 1.00 14.64 H new ATOM 0 HA ARG A 143 23.566 6.016 3.127 1.00 14.58 H new ATOM 0 HB2 ARG A 143 23.649 5.158 0.855 1.00 14.55 H new ATOM 0 HB3 ARG A 143 24.686 4.171 1.865 1.00 14.55 H new ATOM 0 HG2 ARG A 143 23.541 2.308 1.347 1.00 14.62 H new ATOM 0 HG3 ARG A 143 22.020 3.035 1.826 1.00 14.62 H new ATOM 0 HD2 ARG A 143 21.406 3.294 -0.323 1.00 15.01 H new ATOM 0 HD3 ARG A 143 22.848 4.230 -0.663 1.00 15.01 H new ATOM 0 HE ARG A 143 23.354 1.349 -0.562 1.00 15.55 H new ATOM 0 HH11 ARG A 143 22.282 4.050 -2.579 1.00 16.09 H new ATOM 0 HH12 ARG A 143 22.728 3.247 -4.088 1.00 16.09 H new ATOM 0 HH21 ARG A 143 23.926 0.333 -2.508 1.00 16.66 H new ATOM 0 HH22 ARG A 143 23.654 1.155 -4.048 1.00 16.66 H new ATOM 2210 N PRO A 144 21.285 6.552 2.046 1.00 14.56 N ATOM 2211 CA PRO A 144 19.928 6.900 1.613 1.00 14.25 C ATOM 2212 C PRO A 144 19.394 5.877 0.619 1.00 13.50 C ATOM 2213 O PRO A 144 20.141 5.371 -0.217 1.00 13.51 O ATOM 2214 CB PRO A 144 20.090 8.270 0.943 1.00 15.09 C ATOM 2215 CG PRO A 144 21.545 8.387 0.639 1.00 15.66 C ATOM 2216 CD PRO A 144 22.254 7.611 1.709 1.00 15.41 C ATOM 0 HA PRO A 144 19.219 6.916 2.441 1.00 14.25 H new ATOM 0 HB2 PRO A 144 19.491 8.337 0.035 1.00 15.09 H new ATOM 0 HB3 PRO A 144 19.760 9.072 1.603 1.00 15.09 H new ATOM 0 HG2 PRO A 144 21.771 7.986 -0.349 1.00 15.66 H new ATOM 0 HG3 PRO A 144 21.861 9.430 0.639 1.00 15.66 H new ATOM 0 HD2 PRO A 144 23.196 7.197 1.350 1.00 15.41 H new ATOM 0 HD3 PRO A 144 22.488 8.234 2.572 1.00 15.41 H new ATOM 2224 N MET A 145 18.111 5.570 0.701 1.00 12.97 N ATOM 2225 CA MET A 145 17.550 4.499 -0.113 1.00 12.29 C ATOM 2226 C MET A 145 16.838 5.045 -1.349 1.00 12.48 C ATOM 2227 O MET A 145 16.953 6.225 -1.684 1.00 13.04 O ATOM 2228 CB MET A 145 16.602 3.627 0.725 1.00 11.64 C ATOM 2229 CG MET A 145 15.255 4.269 1.030 1.00 11.69 C ATOM 2230 SD MET A 145 13.891 3.094 0.921 1.00 11.33 S ATOM 2231 CE MET A 145 12.888 3.617 2.310 1.00 11.40 C ATOM 0 H MET A 145 17.443 6.038 1.314 1.00 12.97 H new ATOM 0 HA MET A 145 18.376 3.878 -0.461 1.00 12.29 H new ATOM 0 HB2 MET A 145 16.431 2.688 0.198 1.00 11.64 H new ATOM 0 HB3 MET A 145 17.093 3.380 1.666 1.00 11.64 H new ATOM 0 HG2 MET A 145 15.280 4.700 2.031 1.00 11.69 H new ATOM 0 HG3 MET A 145 15.081 5.089 0.333 1.00 11.69 H new ATOM 0 HE1 MET A 145 12.070 2.911 2.454 1.00 11.40 H new ATOM 0 HE2 MET A 145 13.502 3.650 3.210 1.00 11.40 H new ATOM 0 HE3 MET A 145 12.481 4.609 2.112 1.00 11.40 H new ATOM 2241 N ASP A 146 16.113 4.165 -2.021 1.00 12.13 N ATOM 2242 CA ASP A 146 15.346 4.548 -3.198 1.00 12.38 C ATOM 2243 C ASP A 146 13.884 4.665 -2.833 1.00 11.73 C ATOM 2244 O ASP A 146 13.185 3.666 -2.679 1.00 11.11 O ATOM 2245 CB ASP A 146 15.508 3.536 -4.331 1.00 12.64 C ATOM 2246 CG ASP A 146 15.096 4.107 -5.681 1.00 13.31 C ATOM 2247 OD1 ASP A 146 14.708 5.293 -5.734 1.00 13.51 O ATOM 2248 OD2 ASP A 146 15.149 3.373 -6.691 1.00 13.71 O ATOM 0 H ASP A 146 16.039 3.179 -1.772 1.00 12.13 H new ATOM 0 HA ASP A 146 15.725 5.509 -3.547 1.00 12.38 H new ATOM 0 HB2 ASP A 146 16.547 3.211 -4.379 1.00 12.64 H new ATOM 0 HB3 ASP A 146 14.907 2.653 -4.114 1.00 12.64 H new ATOM 2253 N ILE A 147 13.437 5.894 -2.692 1.00 11.99 N ATOM 2254 CA ILE A 147 12.067 6.177 -2.320 1.00 11.55 C ATOM 2255 C ILE A 147 11.462 7.119 -3.342 1.00 12.03 C ATOM 2256 O ILE A 147 11.913 8.252 -3.494 1.00 12.66 O ATOM 2257 CB ILE A 147 11.958 6.808 -0.910 1.00 11.54 C ATOM 2258 CG1 ILE A 147 13.292 6.723 -0.162 1.00 12.01 C ATOM 2259 CG2 ILE A 147 10.870 6.113 -0.109 1.00 10.85 C ATOM 2260 CD1 ILE A 147 14.122 7.983 -0.238 1.00 11.93 C ATOM 0 H ILE A 147 14.012 6.725 -2.832 1.00 11.99 H new ATOM 0 HA ILE A 147 11.526 5.231 -2.297 1.00 11.55 H new ATOM 0 HB ILE A 147 11.701 7.860 -1.030 1.00 11.54 H new ATOM 0 HG12 ILE A 147 13.095 6.493 0.885 1.00 12.01 H new ATOM 0 HG13 ILE A 147 13.872 5.894 -0.567 1.00 12.01 H new ATOM 0 HG21 ILE A 147 10.802 6.565 0.881 1.00 10.85 H new ATOM 0 HG22 ILE A 147 9.915 6.220 -0.623 1.00 10.85 H new ATOM 0 HG23 ILE A 147 11.111 5.055 -0.009 1.00 10.85 H new ATOM 0 HD11 ILE A 147 15.050 7.841 0.316 1.00 11.93 H new ATOM 0 HD12 ILE A 147 14.352 8.205 -1.280 1.00 11.93 H new ATOM 0 HD13 ILE A 147 13.564 8.813 0.195 1.00 11.93 H new ATOM 2272 N GLN A 148 10.460 6.647 -4.055 1.00 11.86 N ATOM 2273 CA GLN A 148 9.860 7.441 -5.111 1.00 12.36 C ATOM 2274 C GLN A 148 8.359 7.304 -5.064 1.00 11.92 C ATOM 2275 O GLN A 148 7.834 6.195 -4.962 1.00 11.28 O ATOM 2276 CB GLN A 148 10.387 7.019 -6.485 1.00 12.71 C ATOM 2277 CG GLN A 148 11.827 7.434 -6.740 1.00 13.36 C ATOM 2278 CD GLN A 148 12.349 6.946 -8.076 1.00 13.82 C ATOM 2279 OE1 GLN A 148 11.866 7.356 -9.133 1.00 14.37 O ATOM 2280 NE2 GLN A 148 13.344 6.072 -8.041 1.00 13.78 N ATOM 0 H GLN A 148 10.045 5.724 -3.925 1.00 11.86 H new ATOM 0 HA GLN A 148 10.131 8.485 -4.953 1.00 12.36 H new ATOM 0 HB2 GLN A 148 10.308 5.936 -6.578 1.00 12.71 H new ATOM 0 HB3 GLN A 148 9.751 7.452 -7.257 1.00 12.71 H new ATOM 0 HG2 GLN A 148 11.900 8.521 -6.701 1.00 13.36 H new ATOM 0 HG3 GLN A 148 12.460 7.044 -5.943 1.00 13.36 H new ATOM 0 HE21 GLN A 148 13.716 5.758 -7.145 1.00 13.78 H new ATOM 0 HE22 GLN A 148 13.739 5.713 -8.911 1.00 13.78 H new ATOM 2289 N LEU A 149 7.671 8.426 -5.122 1.00 12.38 N ATOM 2290 CA LEU A 149 6.234 8.422 -5.031 1.00 12.11 C ATOM 2291 C LEU A 149 5.618 9.098 -6.236 1.00 12.57 C ATOM 2292 O LEU A 149 5.754 10.305 -6.446 1.00 13.35 O ATOM 2293 CB LEU A 149 5.794 9.074 -3.731 1.00 12.48 C ATOM 2294 CG LEU A 149 6.148 8.257 -2.495 1.00 12.21 C ATOM 2295 CD1 LEU A 149 7.199 8.967 -1.660 1.00 11.94 C ATOM 2296 CD2 LEU A 149 4.906 7.963 -1.677 1.00 12.16 C ATOM 0 H LEU A 149 8.088 9.350 -5.232 1.00 12.38 H new ATOM 0 HA LEU A 149 5.881 7.391 -5.026 1.00 12.11 H new ATOM 0 HB2 LEU A 149 6.256 10.058 -3.652 1.00 12.48 H new ATOM 0 HB3 LEU A 149 4.716 9.230 -3.758 1.00 12.48 H new ATOM 0 HG LEU A 149 6.570 7.306 -2.821 1.00 12.21 H new ATOM 0 HD11 LEU A 149 7.435 8.364 -0.783 1.00 11.94 H new ATOM 0 HD12 LEU A 149 8.101 9.111 -2.255 1.00 11.94 H new ATOM 0 HD13 LEU A 149 6.816 9.937 -1.341 1.00 11.94 H new ATOM 0 HD21 LEU A 149 5.179 7.379 -0.798 1.00 12.16 H new ATOM 0 HD22 LEU A 149 4.448 8.900 -1.361 1.00 12.16 H new ATOM 0 HD23 LEU A 149 4.197 7.398 -2.282 1.00 12.16 H new ATOM 2308 N VAL A 150 4.939 8.290 -7.016 1.00 12.18 N ATOM 2309 CA VAL A 150 4.321 8.731 -8.242 1.00 12.66 C ATOM 2310 C VAL A 150 2.825 8.886 -8.013 1.00 12.39 C ATOM 2311 O VAL A 150 2.087 7.905 -7.927 1.00 11.73 O ATOM 2312 CB VAL A 150 4.597 7.733 -9.389 1.00 12.72 C ATOM 2313 CG1 VAL A 150 3.813 8.104 -10.637 1.00 13.21 C ATOM 2314 CG2 VAL A 150 6.086 7.675 -9.694 1.00 12.72 C ATOM 0 H VAL A 150 4.799 7.300 -6.815 1.00 12.18 H new ATOM 0 HA VAL A 150 4.746 9.691 -8.534 1.00 12.66 H new ATOM 0 HB VAL A 150 4.267 6.746 -9.065 1.00 12.72 H new ATOM 0 HG11 VAL A 150 4.026 7.385 -11.428 1.00 13.21 H new ATOM 0 HG12 VAL A 150 2.746 8.092 -10.414 1.00 13.21 H new ATOM 0 HG13 VAL A 150 4.103 9.102 -10.966 1.00 13.21 H new ATOM 0 HG21 VAL A 150 6.264 6.968 -10.504 1.00 12.72 H new ATOM 0 HG22 VAL A 150 6.435 8.664 -9.992 1.00 12.72 H new ATOM 0 HG23 VAL A 150 6.627 7.352 -8.805 1.00 12.72 H new ATOM 2324 N ALA A 151 2.396 10.129 -7.908 1.00 13.01 N ATOM 2325 CA ALA A 151 1.026 10.445 -7.545 1.00 12.96 C ATOM 2326 C ALA A 151 0.460 11.482 -8.499 1.00 13.33 C ATOM 2327 O ALA A 151 -0.166 12.461 -8.088 1.00 13.35 O ATOM 2328 CB ALA A 151 0.968 10.939 -6.110 1.00 12.65 C ATOM 0 H ALA A 151 2.984 10.946 -8.071 1.00 13.01 H new ATOM 0 HA ALA A 151 0.419 9.543 -7.621 1.00 12.96 H new ATOM 0 HB1 ALA A 151 -0.064 11.173 -5.847 1.00 12.65 H new ATOM 0 HB2 ALA A 151 1.345 10.164 -5.443 1.00 12.65 H new ATOM 0 HB3 ALA A 151 1.581 11.835 -6.009 1.00 12.65 H new