USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 697 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 71 HIS : no HD1:sc= -3! C(o=-4.1!,f=-0.66!) USER MOD Set 1.2: B 13 SER OG : rot 153:sc= -1.06 USER MOD Set 2.1: A 53 HIS : no HD1:sc= -0.334 X(o=0.88,f=1.2) USER MOD Set 2.2: A 91 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.938) USER MOD Set 3.1: A 13 LYS NZ :NH3+ -156:sc= 0.652 (180deg=0) USER MOD Set 3.2: A 16 ASN : amide:sc= 0.296 K(o=0.95,f=-6.1) USER MOD Single : A 14 ASN : amide:sc= 0.262 K(o=0.26,f=-7.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 21 SER OG : rot 24:sc= 0.0928 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.3) USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00154 USER MOD Single : A 29 SER OG : rot -130:sc= 0.328 USER MOD Single : A 32 HIS : no HD1:sc= -0.684 K(o=-0.68,f=-0.13) USER MOD Single : A 36 TYR OH : rot 180:sc= 0.0279 USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00257) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0372 X(o=-0.037,f=-0.21) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00102 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.15) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot -74:sc= 1.16 USER MOD Single : A 80 ASN : amide:sc=-0.00928 K(o=-0.0093,f=-1.1) USER MOD Single : A 81 THR OG1 : rot -104:sc= 0.243 USER MOD Single : A 83 GLN : amide:sc= -0.0751 K(o=-0.075,f=-0.76) USER MOD Single : A 86 HIS : no HD1:sc= 0.13 K(o=0.13,f=-2.4!) USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.355 5.673 -9.911 1.00 0.00 N ATOM 54 CA GLY A 4 -11.389 4.771 -9.366 1.00 0.00 C ATOM 55 C GLY A 4 -10.334 4.388 -10.347 1.00 0.00 C ATOM 56 O GLY A 4 -10.130 3.210 -10.635 1.00 0.00 O ATOM 0 HA2 GLY A 4 -10.920 5.231 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.896 3.872 -9.016 1.00 0.00 H new ATOM 60 N ASP A 5 -9.625 5.377 -10.919 1.00 0.00 N ATOM 61 CA ASP A 5 -8.649 5.171 -11.944 1.00 0.00 C ATOM 62 C ASP A 5 -7.313 4.769 -11.419 1.00 0.00 C ATOM 63 O ASP A 5 -6.952 5.072 -10.283 1.00 0.00 O ATOM 64 CB ASP A 5 -8.605 6.423 -12.837 1.00 0.00 C ATOM 65 CG ASP A 5 -8.154 6.103 -14.254 1.00 0.00 C ATOM 66 OD1 ASP A 5 -8.534 5.018 -14.767 1.00 0.00 O ATOM 67 OD2 ASP A 5 -7.410 6.924 -14.855 1.00 0.00 O ATOM 0 H ASP A 5 -9.735 6.357 -10.658 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.950 4.317 -12.550 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.594 6.881 -12.867 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.928 7.156 -12.399 1.00 0.00 H new ATOM 72 N ILE A 6 -6.522 4.040 -12.226 1.00 0.00 N ATOM 73 CA ILE A 6 -5.225 3.552 -11.871 1.00 0.00 C ATOM 74 C ILE A 6 -4.189 4.553 -12.249 1.00 0.00 C ATOM 75 O ILE A 6 -4.131 5.004 -13.392 1.00 0.00 O ATOM 76 CB ILE A 6 -4.916 2.215 -12.475 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.768 1.091 -11.862 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.439 1.829 -12.289 1.00 0.00 C ATOM 79 CD1 ILE A 6 -7.205 0.973 -12.367 1.00 0.00 C ATOM 0 H ILE A 6 -6.800 3.778 -13.172 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.219 3.407 -10.791 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.146 2.319 -13.535 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.263 0.142 -12.044 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.797 1.235 -10.782 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.258 0.854 -12.741 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.805 2.575 -12.769 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.206 1.785 -11.225 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.702 0.145 -11.861 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.741 1.899 -12.160 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.199 0.790 -13.441 1.00 0.00 H new ATOM 91 N PHE A 7 -3.293 4.931 -11.320 1.00 0.00 N ATOM 92 CA PHE A 7 -2.258 5.890 -11.552 1.00 0.00 C ATOM 93 C PHE A 7 -0.977 5.428 -10.948 1.00 0.00 C ATOM 94 O PHE A 7 -0.974 4.562 -10.075 1.00 0.00 O ATOM 95 CB PHE A 7 -2.644 7.297 -11.066 1.00 0.00 C ATOM 96 CG PHE A 7 -2.885 7.407 -9.599 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.083 7.015 -9.050 1.00 0.00 C ATOM 98 CD2 PHE A 7 -1.919 7.941 -8.779 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.312 7.141 -7.700 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.148 8.095 -7.432 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.345 7.690 -6.890 1.00 0.00 C ATOM 0 H PHE A 7 -3.289 4.555 -10.372 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.118 5.970 -12.630 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.851 7.992 -11.343 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.544 7.614 -11.593 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.853 6.604 -9.686 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.970 8.243 -9.197 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.249 6.810 -7.277 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.389 8.533 -6.801 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.526 7.803 -5.831 1.00 0.00 H new ATOM 111 N GLU A 8 0.173 5.979 -11.378 1.00 0.00 N ATOM 112 CA GLU A 8 1.434 5.661 -10.784 1.00 0.00 C ATOM 113 C GLU A 8 2.034 6.830 -10.079 1.00 0.00 C ATOM 114 O GLU A 8 1.958 7.973 -10.525 1.00 0.00 O ATOM 115 CB GLU A 8 2.436 5.034 -11.769 1.00 0.00 C ATOM 116 CG GLU A 8 3.229 5.997 -12.654 1.00 0.00 C ATOM 117 CD GLU A 8 4.140 5.242 -13.612 1.00 0.00 C ATOM 118 OE1 GLU A 8 5.076 4.540 -13.144 1.00 0.00 O ATOM 119 OE2 GLU A 8 3.935 5.363 -14.849 1.00 0.00 O ATOM 0 H GLU A 8 0.228 6.650 -12.144 1.00 0.00 H new ATOM 0 HA GLU A 8 1.215 4.896 -10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.146 4.436 -11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.891 4.348 -12.417 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.541 6.624 -13.221 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.825 6.662 -12.029 1.00 0.00 H new ATOM 126 N VAL A 9 2.654 6.576 -8.913 1.00 0.00 N ATOM 127 CA VAL A 9 3.412 7.541 -8.179 1.00 0.00 C ATOM 128 C VAL A 9 4.865 7.295 -8.394 1.00 0.00 C ATOM 129 O VAL A 9 5.326 6.155 -8.426 1.00 0.00 O ATOM 130 CB VAL A 9 3.019 7.533 -6.731 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.991 8.301 -5.819 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.622 8.167 -6.623 1.00 0.00 C ATOM 0 H VAL A 9 2.626 5.661 -8.463 1.00 0.00 H new ATOM 0 HA VAL A 9 3.194 8.545 -8.544 1.00 0.00 H new ATOM 0 HB VAL A 9 3.035 6.498 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.640 8.250 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.983 7.855 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.040 9.343 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.306 8.176 -5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.656 9.189 -7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.912 7.586 -7.212 1.00 0.00 H new ATOM 142 N GLU A 10 5.637 8.383 -8.571 1.00 0.00 N ATOM 143 CA GLU A 10 7.066 8.397 -8.564 1.00 0.00 C ATOM 144 C GLU A 10 7.511 9.325 -7.486 1.00 0.00 C ATOM 145 O GLU A 10 7.476 10.544 -7.653 1.00 0.00 O ATOM 146 CB GLU A 10 7.669 8.898 -9.887 1.00 0.00 C ATOM 147 CG GLU A 10 7.526 7.929 -11.063 1.00 0.00 C ATOM 148 CD GLU A 10 8.401 8.370 -12.227 1.00 0.00 C ATOM 149 OE1 GLU A 10 8.058 9.383 -12.895 1.00 0.00 O ATOM 150 OE2 GLU A 10 9.460 7.735 -12.482 1.00 0.00 O ATOM 0 H GLU A 10 5.237 9.308 -8.728 1.00 0.00 H new ATOM 0 HA GLU A 10 7.404 7.372 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.194 9.842 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.728 9.106 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.807 6.924 -10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.484 7.884 -11.380 1.00 0.00 H new ATOM 157 N LEU A 11 7.938 8.788 -6.330 1.00 0.00 N ATOM 158 CA LEU A 11 8.390 9.578 -5.226 1.00 0.00 C ATOM 159 C LEU A 11 9.662 9.017 -4.687 1.00 0.00 C ATOM 160 O LEU A 11 10.221 8.069 -5.237 1.00 0.00 O ATOM 161 CB LEU A 11 7.290 9.644 -4.153 1.00 0.00 C ATOM 162 CG LEU A 11 7.108 11.005 -3.461 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.577 12.077 -4.429 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.149 10.872 -2.266 1.00 0.00 C ATOM 0 H LEU A 11 7.970 7.783 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 11 8.595 10.596 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.343 9.363 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.508 8.897 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 11 8.090 11.323 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.463 13.022 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.281 12.205 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.610 11.764 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.029 11.843 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.179 10.518 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.558 10.160 -1.549 1.00 0.00 H new ATOM 176 N ALA A 12 10.184 9.582 -3.584 1.00 0.00 N ATOM 177 CA ALA A 12 11.338 9.074 -2.909 1.00 0.00 C ATOM 178 C ALA A 12 11.338 9.512 -1.485 1.00 0.00 C ATOM 179 O ALA A 12 10.481 10.278 -1.048 1.00 0.00 O ATOM 180 CB ALA A 12 12.627 9.532 -3.611 1.00 0.00 C ATOM 0 H ALA A 12 9.792 10.417 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 12 11.302 7.985 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.492 9.134 -3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.632 9.166 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.673 10.621 -3.613 1.00 0.00 H new ATOM 186 N LYS A 13 12.304 9.023 -0.688 1.00 0.00 N ATOM 187 CA LYS A 13 12.430 9.283 0.712 1.00 0.00 C ATOM 188 C LYS A 13 12.829 10.677 1.058 1.00 0.00 C ATOM 189 O LYS A 13 13.847 11.193 0.598 1.00 0.00 O ATOM 190 CB LYS A 13 13.374 8.242 1.336 1.00 0.00 C ATOM 191 CG LYS A 13 13.570 8.359 2.849 1.00 0.00 C ATOM 192 CD LYS A 13 14.098 7.101 3.540 1.00 0.00 C ATOM 193 CE LYS A 13 13.153 5.899 3.473 1.00 0.00 C ATOM 194 NZ LYS A 13 13.458 4.918 4.539 1.00 0.00 N ATOM 0 H LYS A 13 13.039 8.411 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 13 11.433 9.187 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.989 7.247 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.348 8.323 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.261 9.179 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.616 8.629 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.050 6.825 3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.298 7.333 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.122 6.238 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.239 5.419 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.119 3.977 4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.486 4.883 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.984 5.203 5.419 1.00 0.00 H new ATOM 208 N ASN A 14 12.010 11.361 1.877 1.00 0.00 N ATOM 209 CA ASN A 14 12.181 12.724 2.275 1.00 0.00 C ATOM 210 C ASN A 14 12.285 12.859 3.756 1.00 0.00 C ATOM 211 O ASN A 14 13.379 12.946 4.309 1.00 0.00 O ATOM 212 CB ASN A 14 11.104 13.628 1.652 1.00 0.00 C ATOM 213 CG ASN A 14 9.699 13.046 1.631 1.00 0.00 C ATOM 214 OD1 ASN A 14 9.236 12.366 2.546 1.00 0.00 O ATOM 215 ND2 ASN A 14 8.953 13.333 0.531 1.00 0.00 N ATOM 0 H ASN A 14 11.178 10.936 2.286 1.00 0.00 H new ATOM 0 HA ASN A 14 13.135 13.073 1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.081 14.569 2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.398 13.863 0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.998 12.983 0.457 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.349 13.898 -0.220 1.00 0.00 H new ATOM 222 N ASP A 15 11.145 12.876 4.470 1.00 0.00 N ATOM 223 CA ASP A 15 11.042 12.811 5.895 1.00 0.00 C ATOM 224 C ASP A 15 11.241 11.398 6.322 1.00 0.00 C ATOM 225 O ASP A 15 12.148 11.077 7.088 1.00 0.00 O ATOM 226 CB ASP A 15 9.660 13.324 6.334 1.00 0.00 C ATOM 227 CG ASP A 15 9.720 14.832 6.529 1.00 0.00 C ATOM 228 OD1 ASP A 15 9.756 15.584 5.517 1.00 0.00 O ATOM 229 OD2 ASP A 15 9.729 15.273 7.709 1.00 0.00 O ATOM 0 H ASP A 15 10.232 12.940 4.019 1.00 0.00 H new ATOM 0 HA ASP A 15 11.803 13.437 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.911 13.073 5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.357 12.838 7.261 1.00 0.00 H new ATOM 234 N ASN A 16 10.406 10.483 5.795 1.00 0.00 N ATOM 235 CA ASN A 16 10.745 9.098 5.691 1.00 0.00 C ATOM 236 C ASN A 16 10.169 8.660 4.388 1.00 0.00 C ATOM 237 O ASN A 16 10.263 9.398 3.409 1.00 0.00 O ATOM 238 CB ASN A 16 10.312 8.303 6.934 1.00 0.00 C ATOM 239 CG ASN A 16 11.093 7.000 7.037 1.00 0.00 C ATOM 240 OD1 ASN A 16 11.788 6.592 6.106 1.00 0.00 O ATOM 241 ND2 ASN A 16 10.992 6.301 8.198 1.00 0.00 N ATOM 0 H ASN A 16 9.479 10.710 5.435 1.00 0.00 H new ATOM 0 HA ASN A 16 11.819 8.911 5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.474 8.902 7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.244 8.090 6.882 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.497 5.422 8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.411 6.655 8.958 1.00 0.00 H new ATOM 248 N SER A 17 9.561 7.465 4.274 1.00 0.00 N ATOM 249 CA SER A 17 8.999 6.998 3.045 1.00 0.00 C ATOM 250 C SER A 17 7.606 7.489 2.846 1.00 0.00 C ATOM 251 O SER A 17 7.398 8.513 2.197 1.00 0.00 O ATOM 252 CB SER A 17 9.088 5.472 2.879 1.00 0.00 C ATOM 253 OG SER A 17 8.626 4.776 4.028 1.00 0.00 O ATOM 0 H SER A 17 9.458 6.811 5.050 1.00 0.00 H new ATOM 0 HA SER A 17 9.616 7.427 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.500 5.168 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.122 5.190 2.678 1.00 0.00 H new ATOM 0 HG SER A 17 8.699 3.810 3.877 1.00 0.00 H new ATOM 259 N LEU A 18 6.580 6.805 3.383 1.00 0.00 N ATOM 260 CA LEU A 18 5.213 7.111 3.094 1.00 0.00 C ATOM 261 C LEU A 18 4.544 7.894 4.169 1.00 0.00 C ATOM 262 O LEU A 18 4.287 9.087 4.021 1.00 0.00 O ATOM 263 CB LEU A 18 4.430 5.822 2.787 1.00 0.00 C ATOM 264 CG LEU A 18 4.830 5.138 1.469 1.00 0.00 C ATOM 265 CD1 LEU A 18 4.175 3.751 1.354 1.00 0.00 C ATOM 266 CD2 LEU A 18 4.467 5.982 0.235 1.00 0.00 C ATOM 0 H LEU A 18 6.702 6.025 4.029 1.00 0.00 H new ATOM 0 HA LEU A 18 5.216 7.751 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.575 5.118 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.366 6.056 2.753 1.00 0.00 H new ATOM 0 HG LEU A 18 5.914 5.030 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.472 3.285 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.498 3.126 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.091 3.858 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.771 5.454 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.390 6.150 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.983 6.941 0.286 1.00 0.00 H new ATOM 278 N GLY A 19 4.206 7.247 5.300 1.00 0.00 N ATOM 279 CA GLY A 19 3.462 7.820 6.377 1.00 0.00 C ATOM 280 C GLY A 19 2.015 7.491 6.243 1.00 0.00 C ATOM 281 O GLY A 19 1.161 8.377 6.232 1.00 0.00 O ATOM 0 H GLY A 19 4.466 6.275 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.840 7.445 7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.596 8.902 6.385 1.00 0.00 H new ATOM 285 N ILE A 20 1.682 6.193 6.126 1.00 0.00 N ATOM 286 CA ILE A 20 0.343 5.748 5.899 1.00 0.00 C ATOM 287 C ILE A 20 0.100 4.445 6.581 1.00 0.00 C ATOM 288 O ILE A 20 1.016 3.674 6.861 1.00 0.00 O ATOM 289 CB ILE A 20 0.036 5.704 4.430 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.470 5.725 4.122 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.732 4.517 3.745 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.767 6.093 2.669 1.00 0.00 C ATOM 0 H ILE A 20 2.361 5.434 6.191 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.348 6.467 6.339 1.00 0.00 H new ATOM 0 HB ILE A 20 0.443 6.624 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.895 4.745 4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.962 6.439 4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.488 4.516 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.811 4.607 3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.391 3.585 4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.845 6.093 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.368 7.085 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.300 5.364 2.006 1.00 0.00 H new ATOM 304 N SER A 21 -1.169 4.140 6.904 1.00 0.00 N ATOM 305 CA SER A 21 -1.551 2.969 7.632 1.00 0.00 C ATOM 306 C SER A 21 -2.496 2.168 6.805 1.00 0.00 C ATOM 307 O SER A 21 -3.208 2.692 5.950 1.00 0.00 O ATOM 308 CB SER A 21 -2.202 3.334 8.978 1.00 0.00 C ATOM 309 OG SER A 21 -2.394 2.179 9.781 1.00 0.00 O ATOM 0 H SER A 21 -1.960 4.731 6.649 1.00 0.00 H new ATOM 0 HA SER A 21 -0.657 2.383 7.846 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.573 4.049 9.508 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.161 3.822 8.802 1.00 0.00 H new ATOM 0 HG SER A 21 -1.760 1.483 9.510 1.00 0.00 H new ATOM 315 N VAL A 22 -2.512 0.840 7.017 1.00 0.00 N ATOM 316 CA VAL A 22 -3.085 -0.134 6.141 1.00 0.00 C ATOM 317 C VAL A 22 -4.090 -0.958 6.870 1.00 0.00 C ATOM 318 O VAL A 22 -4.031 -1.102 8.090 1.00 0.00 O ATOM 319 CB VAL A 22 -1.974 -0.936 5.529 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.238 -2.439 5.343 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.647 -0.307 4.164 1.00 0.00 C ATOM 0 H VAL A 22 -2.100 0.422 7.851 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.632 0.342 5.327 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.148 -0.895 6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.364 -2.909 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.437 -2.896 6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.101 -2.579 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.841 -0.866 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.532 -0.336 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.336 0.728 4.305 1.00 0.00 H new ATOM 331 N THR A 23 -5.100 -1.500 6.167 1.00 0.00 N ATOM 332 CA THR A 23 -6.083 -2.352 6.758 1.00 0.00 C ATOM 333 C THR A 23 -6.383 -3.495 5.850 1.00 0.00 C ATOM 334 O THR A 23 -6.450 -3.355 4.630 1.00 0.00 O ATOM 335 CB THR A 23 -7.299 -1.588 7.190 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.183 -2.330 8.017 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.097 -1.017 6.005 1.00 0.00 C ATOM 0 H THR A 23 -5.236 -1.343 5.168 1.00 0.00 H new ATOM 0 HA THR A 23 -5.678 -2.776 7.677 1.00 0.00 H new ATOM 0 HB THR A 23 -6.889 -0.768 7.780 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.950 -1.771 8.261 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.965 -0.475 6.379 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.464 -0.339 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.428 -1.833 5.362 1.00 0.00 H new ATOM 345 N GLY A 24 -6.517 -4.708 6.417 1.00 0.00 N ATOM 346 CA GLY A 24 -6.761 -5.934 5.723 1.00 0.00 C ATOM 347 C GLY A 24 -5.559 -6.515 5.061 1.00 0.00 C ATOM 348 O GLY A 24 -4.473 -6.548 5.635 1.00 0.00 O ATOM 0 H GLY A 24 -6.450 -4.839 7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.161 -6.663 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.530 -5.764 4.969 1.00 0.00 H new ATOM 352 N GLY A 25 -5.724 -7.018 3.824 1.00 0.00 N ATOM 353 CA GLY A 25 -4.655 -7.351 2.935 1.00 0.00 C ATOM 354 C GLY A 25 -4.038 -8.701 3.072 1.00 0.00 C ATOM 355 O GLY A 25 -2.883 -8.875 2.690 1.00 0.00 O ATOM 0 H GLY A 25 -6.645 -7.201 3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.024 -7.252 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.868 -6.608 3.063 1.00 0.00 H new ATOM 359 N VAL A 26 -4.747 -9.700 3.629 1.00 0.00 N ATOM 360 CA VAL A 26 -4.187 -10.975 3.952 1.00 0.00 C ATOM 361 C VAL A 26 -4.210 -11.969 2.841 1.00 0.00 C ATOM 362 O VAL A 26 -3.588 -11.767 1.799 1.00 0.00 O ATOM 363 CB VAL A 26 -4.720 -11.506 5.250 1.00 0.00 C ATOM 364 CG1 VAL A 26 -4.129 -10.651 6.384 1.00 0.00 C ATOM 365 CG2 VAL A 26 -6.255 -11.448 5.320 1.00 0.00 C ATOM 0 H VAL A 26 -5.737 -9.618 3.861 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.122 -10.795 4.100 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.434 -12.554 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.499 -11.013 7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.041 -10.722 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.427 -9.611 6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.591 -11.844 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.585 -10.414 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.679 -12.045 4.513 1.00 0.00 H new ATOM 375 N ASN A 27 -4.881 -13.126 2.983 1.00 0.00 N ATOM 376 CA ASN A 27 -4.791 -14.230 2.078 1.00 0.00 C ATOM 377 C ASN A 27 -5.456 -13.970 0.770 1.00 0.00 C ATOM 378 O ASN A 27 -4.885 -14.203 -0.294 1.00 0.00 O ATOM 379 CB ASN A 27 -5.255 -15.533 2.752 1.00 0.00 C ATOM 380 CG ASN A 27 -6.552 -15.362 3.532 1.00 0.00 C ATOM 381 OD1 ASN A 27 -7.631 -15.257 2.952 1.00 0.00 O ATOM 382 ND2 ASN A 27 -6.450 -15.289 4.886 1.00 0.00 N ATOM 0 H ASN A 27 -5.514 -13.300 3.763 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.738 -14.359 1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.392 -16.302 1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.475 -15.887 3.426 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.285 -15.143 5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.538 -15.380 5.334 1.00 0.00 H new ATOM 389 N THR A 28 -6.677 -13.407 0.798 1.00 0.00 N ATOM 390 CA THR A 28 -7.173 -12.534 -0.220 1.00 0.00 C ATOM 391 C THR A 28 -7.868 -11.467 0.553 1.00 0.00 C ATOM 392 O THR A 28 -7.993 -11.576 1.772 1.00 0.00 O ATOM 393 CB THR A 28 -8.040 -13.167 -1.268 1.00 0.00 C ATOM 394 OG1 THR A 28 -8.310 -12.261 -2.329 1.00 0.00 O ATOM 395 CG2 THR A 28 -9.379 -13.670 -0.705 1.00 0.00 C ATOM 0 H THR A 28 -7.342 -13.565 1.555 1.00 0.00 H new ATOM 0 HA THR A 28 -6.358 -12.164 -0.842 1.00 0.00 H new ATOM 0 HB THR A 28 -7.476 -14.022 -1.640 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.875 -12.700 -2.998 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.965 -14.118 -1.507 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.192 -14.415 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.931 -12.833 -0.276 1.00 0.00 H new ATOM 403 N SER A 29 -8.306 -10.365 -0.081 1.00 0.00 N ATOM 404 CA SER A 29 -8.893 -9.285 0.650 1.00 0.00 C ATOM 405 C SER A 29 -9.796 -8.472 -0.214 1.00 0.00 C ATOM 406 O SER A 29 -11.013 -8.464 -0.037 1.00 0.00 O ATOM 407 CB SER A 29 -7.821 -8.401 1.310 1.00 0.00 C ATOM 408 OG SER A 29 -8.355 -7.528 2.293 1.00 0.00 O ATOM 0 H SER A 29 -8.255 -10.222 -1.090 1.00 0.00 H new ATOM 0 HA SER A 29 -9.496 -9.723 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.064 -9.037 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.319 -7.812 0.542 1.00 0.00 H new ATOM 0 HG SER A 29 -8.036 -6.616 2.128 1.00 0.00 H new ATOM 414 N VAL A 30 -9.220 -7.736 -1.182 1.00 0.00 N ATOM 415 CA VAL A 30 -9.895 -6.726 -1.935 1.00 0.00 C ATOM 416 C VAL A 30 -10.473 -7.266 -3.198 1.00 0.00 C ATOM 417 O VAL A 30 -11.663 -7.128 -3.474 1.00 0.00 O ATOM 418 CB VAL A 30 -8.957 -5.598 -2.252 1.00 0.00 C ATOM 419 CG1 VAL A 30 -9.728 -4.397 -2.827 1.00 0.00 C ATOM 420 CG2 VAL A 30 -8.218 -5.169 -0.974 1.00 0.00 C ATOM 0 H VAL A 30 -8.243 -7.850 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.716 -6.359 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.239 -5.941 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.030 -3.590 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.240 -4.697 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.461 -4.052 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.537 -4.350 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.942 -4.840 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.651 -6.013 -0.581 1.00 0.00 H new ATOM 430 N ARG A 31 -9.622 -7.876 -4.043 1.00 0.00 N ATOM 431 CA ARG A 31 -9.987 -8.265 -5.371 1.00 0.00 C ATOM 432 C ARG A 31 -9.376 -9.584 -5.702 1.00 0.00 C ATOM 433 O ARG A 31 -9.940 -10.633 -5.392 1.00 0.00 O ATOM 434 CB ARG A 31 -9.607 -7.122 -6.327 1.00 0.00 C ATOM 435 CG ARG A 31 -10.154 -7.230 -7.752 1.00 0.00 C ATOM 436 CD ARG A 31 -9.863 -6.002 -8.617 1.00 0.00 C ATOM 437 NE ARG A 31 -10.605 -4.857 -8.018 1.00 0.00 N ATOM 438 CZ ARG A 31 -10.252 -3.552 -8.198 1.00 0.00 C ATOM 439 NH1 ARG A 31 -9.271 -3.168 -9.065 1.00 0.00 N ATOM 440 NH2 ARG A 31 -10.863 -2.569 -7.475 1.00 0.00 N ATOM 0 H ARG A 31 -8.658 -8.104 -3.798 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.062 -8.419 -5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.955 -6.183 -5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.520 -7.065 -6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.725 -8.110 -8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.232 -7.385 -7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.793 -5.795 -8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.182 -6.171 -9.646 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.422 -5.060 -7.442 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.769 -3.869 -9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.040 -2.180 -9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.586 -2.809 -6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.596 -1.594 -7.612 1.00 0.00 H new ATOM 454 N HIS A 32 -8.176 -9.605 -6.307 1.00 0.00 N ATOM 455 CA HIS A 32 -7.386 -10.777 -6.524 1.00 0.00 C ATOM 456 C HIS A 32 -6.111 -10.607 -5.772 1.00 0.00 C ATOM 457 O HIS A 32 -4.998 -10.725 -6.282 1.00 0.00 O ATOM 458 CB HIS A 32 -7.201 -11.101 -8.016 1.00 0.00 C ATOM 459 CG HIS A 32 -7.131 -9.933 -8.953 1.00 0.00 C ATOM 460 ND1 HIS A 32 -5.973 -9.197 -9.092 1.00 0.00 N ATOM 461 CD2 HIS A 32 -8.103 -9.445 -9.771 1.00 0.00 C ATOM 462 CE1 HIS A 32 -6.261 -8.262 -9.978 1.00 0.00 C ATOM 463 NE2 HIS A 32 -7.541 -8.370 -10.428 1.00 0.00 N ATOM 0 H HIS A 32 -7.733 -8.759 -6.664 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.902 -11.658 -6.142 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.286 -11.682 -8.127 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.025 -11.741 -8.330 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.109 -9.822 -9.883 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.566 -7.504 -10.306 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.996 -7.772 -11.117 1.00 0.00 H new ATOM 471 N GLY A 33 -6.275 -10.289 -4.475 1.00 0.00 N ATOM 472 CA GLY A 33 -5.267 -9.797 -3.587 1.00 0.00 C ATOM 473 C GLY A 33 -5.677 -8.428 -3.166 1.00 0.00 C ATOM 474 O GLY A 33 -6.865 -8.170 -2.977 1.00 0.00 O ATOM 0 H GLY A 33 -7.180 -10.383 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.165 -10.451 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.297 -9.772 -4.083 1.00 0.00 H new ATOM 478 N GLY A 34 -4.699 -7.515 -3.026 1.00 0.00 N ATOM 479 CA GLY A 34 -4.915 -6.120 -2.795 1.00 0.00 C ATOM 480 C GLY A 34 -4.801 -5.733 -1.360 1.00 0.00 C ATOM 481 O GLY A 34 -5.139 -6.497 -0.458 1.00 0.00 O ATOM 0 H GLY A 34 -3.711 -7.762 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.193 -5.547 -3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.906 -5.848 -3.159 1.00 0.00 H new ATOM 485 N ILE A 35 -4.339 -4.495 -1.107 1.00 0.00 N ATOM 486 CA ILE A 35 -4.149 -3.943 0.199 1.00 0.00 C ATOM 487 C ILE A 35 -4.873 -2.642 0.196 1.00 0.00 C ATOM 488 O ILE A 35 -5.037 -2.029 -0.859 1.00 0.00 O ATOM 489 CB ILE A 35 -2.708 -3.737 0.565 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.757 -4.853 0.099 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.562 -3.511 2.079 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.927 -6.206 0.787 1.00 0.00 C ATOM 0 H ILE A 35 -4.085 -3.846 -1.852 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.529 -4.639 0.947 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.400 -2.845 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.891 -4.993 -0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.731 -4.516 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.510 -3.364 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.130 -2.628 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.942 -4.381 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.206 -6.914 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.760 -6.093 1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.937 -6.577 0.615 1.00 0.00 H new ATOM 504 N TYR A 36 -5.373 -2.177 1.355 1.00 0.00 N ATOM 505 CA TYR A 36 -6.238 -1.044 1.461 1.00 0.00 C ATOM 506 C TYR A 36 -5.703 -0.047 2.430 1.00 0.00 C ATOM 507 O TYR A 36 -5.146 -0.411 3.465 1.00 0.00 O ATOM 508 CB TYR A 36 -7.602 -1.546 1.962 1.00 0.00 C ATOM 509 CG TYR A 36 -8.739 -0.992 1.175 1.00 0.00 C ATOM 510 CD1 TYR A 36 -9.099 -1.617 0.005 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.469 0.085 1.621 1.00 0.00 C ATOM 512 CE1 TYR A 36 -10.197 -1.188 -0.702 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.558 0.526 0.908 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.922 -0.108 -0.257 1.00 0.00 C ATOM 515 OH TYR A 36 -12.048 0.311 -0.997 1.00 0.00 O ATOM 0 H TYR A 36 -5.166 -2.609 2.255 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.321 -0.559 0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.626 -2.635 1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.723 -1.273 3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.516 -2.449 -0.361 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.185 0.586 2.535 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.490 -1.699 -1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.129 1.371 1.263 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.458 1.085 -0.558 1.00 0.00 H new ATOM 525 N VAL A 37 -5.878 1.260 2.168 1.00 0.00 N ATOM 526 CA VAL A 37 -5.535 2.306 3.081 1.00 0.00 C ATOM 527 C VAL A 37 -6.491 2.376 4.221 1.00 0.00 C ATOM 528 O VAL A 37 -7.706 2.451 4.041 1.00 0.00 O ATOM 529 CB VAL A 37 -5.489 3.657 2.430 1.00 0.00 C ATOM 530 CG1 VAL A 37 -5.285 4.814 3.421 1.00 0.00 C ATOM 531 CG2 VAL A 37 -4.316 3.714 1.437 1.00 0.00 C ATOM 0 H VAL A 37 -6.272 1.601 1.291 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.538 2.053 3.441 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.457 3.781 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.262 5.759 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.106 4.828 4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.342 4.677 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.285 4.696 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.381 3.537 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.449 2.949 0.672 1.00 0.00 H new ATOM 541 N LYS A 38 -5.962 2.402 5.458 1.00 0.00 N ATOM 542 CA LYS A 38 -6.729 2.653 6.638 1.00 0.00 C ATOM 543 C LYS A 38 -6.926 4.121 6.804 1.00 0.00 C ATOM 544 O LYS A 38 -8.051 4.617 6.746 1.00 0.00 O ATOM 545 CB LYS A 38 -6.036 2.070 7.882 1.00 0.00 C ATOM 546 CG LYS A 38 -6.829 2.192 9.185 1.00 0.00 C ATOM 547 CD LYS A 38 -6.183 1.375 10.305 1.00 0.00 C ATOM 548 CE LYS A 38 -6.753 1.621 11.703 1.00 0.00 C ATOM 549 NZ LYS A 38 -8.204 1.336 11.739 1.00 0.00 N ATOM 0 H LYS A 38 -4.971 2.244 5.642 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.698 2.165 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.825 1.016 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.076 2.569 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.886 3.239 9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.851 1.850 9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.289 0.316 10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.115 1.593 10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.236 0.991 12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.574 2.655 11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.565 1.494 12.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.698 1.967 11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.370 0.347 11.465 1.00 0.00 H new ATOM 563 N ALA A 39 -5.816 4.858 6.984 1.00 0.00 N ATOM 564 CA ALA A 39 -5.807 6.284 7.085 1.00 0.00 C ATOM 565 C ALA A 39 -4.399 6.753 6.946 1.00 0.00 C ATOM 566 O ALA A 39 -3.456 5.964 6.978 1.00 0.00 O ATOM 567 CB ALA A 39 -6.414 6.772 8.412 1.00 0.00 C ATOM 0 H ALA A 39 -4.887 4.444 7.062 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.426 6.700 6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.387 7.861 8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.447 6.432 8.486 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.839 6.369 9.245 1.00 0.00 H new ATOM 573 N VAL A 40 -4.210 8.071 6.756 1.00 0.00 N ATOM 574 CA VAL A 40 -2.936 8.697 6.584 1.00 0.00 C ATOM 575 C VAL A 40 -2.398 9.163 7.893 1.00 0.00 C ATOM 576 O VAL A 40 -3.116 9.709 8.730 1.00 0.00 O ATOM 577 CB VAL A 40 -3.014 9.821 5.594 1.00 0.00 C ATOM 578 CG1 VAL A 40 -1.645 10.480 5.355 1.00 0.00 C ATOM 579 CG2 VAL A 40 -3.539 9.258 4.262 1.00 0.00 C ATOM 0 H VAL A 40 -4.985 8.733 6.721 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.245 7.956 6.182 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.681 10.584 5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.752 11.288 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.266 10.882 6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.946 9.738 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.603 10.061 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.858 8.488 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.528 8.826 4.414 1.00 0.00 H new ATOM 589 N ILE A 41 -1.097 8.946 8.153 1.00 0.00 N ATOM 590 CA ILE A 41 -0.424 9.439 9.315 1.00 0.00 C ATOM 591 C ILE A 41 0.009 10.842 9.066 1.00 0.00 C ATOM 592 O ILE A 41 0.755 11.036 8.109 1.00 0.00 O ATOM 593 CB ILE A 41 0.755 8.585 9.677 1.00 0.00 C ATOM 594 CG1 ILE A 41 0.380 7.105 9.862 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.465 9.125 10.930 1.00 0.00 C ATOM 596 CD1 ILE A 41 -0.593 6.818 11.004 1.00 0.00 C ATOM 0 H ILE A 41 -0.492 8.408 7.533 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.115 9.407 10.157 1.00 0.00 H new ATOM 0 HB ILE A 41 1.445 8.636 8.835 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.057 6.739 8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.293 6.534 10.032 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.316 8.487 11.170 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.815 10.140 10.741 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.769 9.131 11.769 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.793 5.748 11.051 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.155 7.147 11.946 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.526 7.355 10.831 1.00 0.00 H new ATOM 608 N PRO A 42 -0.363 11.870 9.771 1.00 0.00 N ATOM 609 CA PRO A 42 0.046 13.210 9.464 1.00 0.00 C ATOM 610 C PRO A 42 1.420 13.531 9.944 1.00 0.00 C ATOM 611 O PRO A 42 1.603 14.367 10.827 1.00 0.00 O ATOM 612 CB PRO A 42 -1.026 14.072 10.124 1.00 0.00 C ATOM 613 CG PRO A 42 -1.459 13.261 11.356 1.00 0.00 C ATOM 614 CD PRO A 42 -1.357 11.819 10.831 1.00 0.00 C ATOM 0 HA PRO A 42 0.119 13.381 8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.633 15.048 10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.864 14.250 9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.804 13.433 12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.471 13.510 11.675 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.055 11.132 11.622 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.318 11.468 10.454 1.00 0.00 H new ATOM 622 N GLN A 43 2.440 12.856 9.387 1.00 0.00 N ATOM 623 CA GLN A 43 3.822 13.057 9.699 1.00 0.00 C ATOM 624 C GLN A 43 4.706 12.960 8.504 1.00 0.00 C ATOM 625 O GLN A 43 5.917 13.135 8.632 1.00 0.00 O ATOM 626 CB GLN A 43 4.329 12.059 10.753 1.00 0.00 C ATOM 627 CG GLN A 43 3.691 12.222 12.134 1.00 0.00 C ATOM 628 CD GLN A 43 4.422 11.404 13.189 1.00 0.00 C ATOM 629 OE1 GLN A 43 3.996 10.333 13.616 1.00 0.00 O ATOM 630 NE2 GLN A 43 5.615 11.909 13.605 1.00 0.00 N ATOM 0 H GLN A 43 2.294 12.133 8.683 1.00 0.00 H new ATOM 0 HA GLN A 43 3.873 14.071 10.096 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.142 11.046 10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.409 12.168 10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.700 13.274 12.418 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.647 11.912 12.092 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.948 12.800 13.237 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.176 11.397 14.285 1.00 0.00 H new ATOM 639 N GLY A 44 4.186 12.679 7.296 1.00 0.00 N ATOM 640 CA GLY A 44 5.012 12.402 6.162 1.00 0.00 C ATOM 641 C GLY A 44 4.513 12.960 4.873 1.00 0.00 C ATOM 642 O GLY A 44 3.697 13.880 4.830 1.00 0.00 O ATOM 0 H GLY A 44 3.185 12.644 7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.009 12.799 6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.113 11.322 6.059 1.00 0.00 H new ATOM 646 N ALA A 45 5.041 12.404 3.769 1.00 0.00 N ATOM 647 CA ALA A 45 4.838 12.834 2.420 1.00 0.00 C ATOM 648 C ALA A 45 3.445 12.743 1.902 1.00 0.00 C ATOM 649 O ALA A 45 3.001 13.616 1.158 1.00 0.00 O ATOM 650 CB ALA A 45 5.748 12.017 1.486 1.00 0.00 C ATOM 0 H ALA A 45 5.656 11.592 3.824 1.00 0.00 H new ATOM 0 HA ALA A 45 5.079 13.897 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.597 12.341 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.790 12.172 1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.502 10.959 1.573 1.00 0.00 H new ATOM 656 N ALA A 46 2.691 11.694 2.280 1.00 0.00 N ATOM 657 CA ALA A 46 1.348 11.469 1.844 1.00 0.00 C ATOM 658 C ALA A 46 0.410 12.561 2.230 1.00 0.00 C ATOM 659 O ALA A 46 -0.416 13.006 1.435 1.00 0.00 O ATOM 660 CB ALA A 46 0.839 10.116 2.371 1.00 0.00 C ATOM 0 H ALA A 46 3.032 10.973 2.916 1.00 0.00 H new ATOM 0 HA ALA A 46 1.373 11.456 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.185 9.956 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.476 9.316 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.865 10.117 3.461 1.00 0.00 H new ATOM 666 N GLU A 47 0.563 13.084 3.460 1.00 0.00 N ATOM 667 CA GLU A 47 -0.064 14.288 3.909 1.00 0.00 C ATOM 668 C GLU A 47 0.465 15.505 3.233 1.00 0.00 C ATOM 669 O GLU A 47 -0.292 16.272 2.641 1.00 0.00 O ATOM 670 CB GLU A 47 0.111 14.457 5.428 1.00 0.00 C ATOM 671 CG GLU A 47 -0.720 15.605 6.006 1.00 0.00 C ATOM 672 CD GLU A 47 -0.230 16.109 7.356 1.00 0.00 C ATOM 673 OE1 GLU A 47 0.954 15.869 7.716 1.00 0.00 O ATOM 674 OE2 GLU A 47 -1.021 16.818 8.031 1.00 0.00 O ATOM 0 H GLU A 47 1.149 12.649 4.172 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.119 14.189 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.169 13.528 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.164 14.632 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.717 16.434 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.754 15.276 6.107 1.00 0.00 H new ATOM 681 N SER A 48 1.789 15.736 3.293 1.00 0.00 N ATOM 682 CA SER A 48 2.439 16.937 2.868 1.00 0.00 C ATOM 683 C SER A 48 2.240 17.284 1.433 1.00 0.00 C ATOM 684 O SER A 48 1.734 18.355 1.098 1.00 0.00 O ATOM 685 CB SER A 48 3.947 16.896 3.166 1.00 0.00 C ATOM 686 OG SER A 48 4.576 18.159 3.006 1.00 0.00 O ATOM 0 H SER A 48 2.443 15.044 3.659 1.00 0.00 H new ATOM 0 HA SER A 48 1.954 17.720 3.451 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.101 16.546 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.423 16.172 2.505 1.00 0.00 H new ATOM 0 HG SER A 48 5.531 18.077 3.209 1.00 0.00 H new ATOM 692 N ASP A 49 2.602 16.381 0.504 1.00 0.00 N ATOM 693 CA ASP A 49 2.483 16.616 -0.902 1.00 0.00 C ATOM 694 C ASP A 49 1.086 16.368 -1.358 1.00 0.00 C ATOM 695 O ASP A 49 0.542 17.092 -2.190 1.00 0.00 O ATOM 696 CB ASP A 49 3.505 15.731 -1.633 1.00 0.00 C ATOM 697 CG ASP A 49 3.832 16.188 -3.048 1.00 0.00 C ATOM 698 OD1 ASP A 49 3.454 17.314 -3.470 1.00 0.00 O ATOM 699 OD2 ASP A 49 4.516 15.407 -3.760 1.00 0.00 O ATOM 0 H ASP A 49 2.987 15.465 0.736 1.00 0.00 H new ATOM 0 HA ASP A 49 2.701 17.659 -1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.426 15.703 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.122 14.711 -1.673 1.00 0.00 H new ATOM 704 N GLY A 50 0.416 15.342 -0.803 1.00 0.00 N ATOM 705 CA GLY A 50 -0.938 15.030 -1.138 1.00 0.00 C ATOM 706 C GLY A 50 -1.009 14.060 -2.266 1.00 0.00 C ATOM 707 O GLY A 50 -1.033 14.440 -3.437 1.00 0.00 O ATOM 0 H GLY A 50 0.823 14.717 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.444 14.614 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.467 15.944 -1.408 1.00 0.00 H new ATOM 711 N ARG A 51 -1.028 12.753 -1.953 1.00 0.00 N ATOM 712 CA ARG A 51 -0.911 11.727 -2.944 1.00 0.00 C ATOM 713 C ARG A 51 -1.875 10.621 -2.690 1.00 0.00 C ATOM 714 O ARG A 51 -2.491 10.108 -3.623 1.00 0.00 O ATOM 715 CB ARG A 51 0.513 11.147 -2.983 1.00 0.00 C ATOM 716 CG ARG A 51 1.615 12.119 -3.408 1.00 0.00 C ATOM 717 CD ARG A 51 1.521 12.597 -4.859 1.00 0.00 C ATOM 718 NE ARG A 51 2.661 13.529 -5.087 1.00 0.00 N ATOM 719 CZ ARG A 51 2.954 14.096 -6.294 1.00 0.00 C ATOM 720 NH1 ARG A 51 2.249 13.836 -7.433 1.00 0.00 N ATOM 721 NH2 ARG A 51 3.996 14.978 -6.331 1.00 0.00 N ATOM 0 H ARG A 51 -1.126 12.402 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.137 12.189 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.756 10.762 -1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.521 10.297 -3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.587 12.988 -2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.582 11.638 -3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.570 11.753 -5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.571 13.100 -5.038 1.00 0.00 H new ATOM 0 HE ARG A 51 3.259 13.757 -4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.460 13.190 -7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.511 14.288 -8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.517 15.187 -5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.253 15.427 -7.210 1.00 0.00 H new ATOM 735 N ILE A 52 -2.054 10.198 -1.425 1.00 0.00 N ATOM 736 CA ILE A 52 -2.875 9.082 -1.075 1.00 0.00 C ATOM 737 C ILE A 52 -3.793 9.551 0.000 1.00 0.00 C ATOM 738 O ILE A 52 -3.400 10.363 0.837 1.00 0.00 O ATOM 739 CB ILE A 52 -2.074 7.911 -0.587 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.813 7.660 -1.433 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.973 6.664 -0.592 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.056 6.505 -0.937 1.00 0.00 C ATOM 0 H ILE A 52 -1.614 10.647 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.415 8.736 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.730 8.134 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.113 7.458 -2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.213 8.570 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.404 5.804 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.827 6.828 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.326 6.474 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.923 6.396 -1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.390 6.712 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.524 5.582 -0.948 1.00 0.00 H new ATOM 754 N HIS A 53 -5.060 9.103 0.032 1.00 0.00 N ATOM 755 CA HIS A 53 -5.925 9.351 1.142 1.00 0.00 C ATOM 756 C HIS A 53 -6.654 8.115 1.543 1.00 0.00 C ATOM 757 O HIS A 53 -6.380 7.020 1.054 1.00 0.00 O ATOM 758 CB HIS A 53 -6.854 10.561 0.946 1.00 0.00 C ATOM 759 CG HIS A 53 -8.019 10.437 0.009 1.00 0.00 C ATOM 760 ND1 HIS A 53 -8.887 11.501 -0.110 1.00 0.00 N ATOM 761 CD2 HIS A 53 -8.421 9.409 -0.786 1.00 0.00 C ATOM 762 CE1 HIS A 53 -9.806 11.109 -0.973 1.00 0.00 C ATOM 763 NE2 HIS A 53 -9.574 9.842 -1.409 1.00 0.00 N ATOM 0 H HIS A 53 -5.489 8.563 -0.720 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.284 9.635 1.976 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.246 10.837 1.925 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.241 11.394 0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.937 8.451 -0.905 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.638 11.719 -1.293 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -10.143 9.313 -2.070 1.00 0.00 H new ATOM 771 N LYS A 54 -7.604 8.223 2.489 1.00 0.00 N ATOM 772 CA LYS A 54 -8.368 7.128 3.002 1.00 0.00 C ATOM 773 C LYS A 54 -9.107 6.337 1.978 1.00 0.00 C ATOM 774 O LYS A 54 -9.788 6.875 1.106 1.00 0.00 O ATOM 775 CB LYS A 54 -9.317 7.635 4.101 1.00 0.00 C ATOM 776 CG LYS A 54 -10.190 6.574 4.774 1.00 0.00 C ATOM 777 CD LYS A 54 -11.114 7.146 5.851 1.00 0.00 C ATOM 778 CE LYS A 54 -10.397 7.572 7.134 1.00 0.00 C ATOM 779 NZ LYS A 54 -11.339 8.300 8.014 1.00 0.00 N ATOM 0 H LYS A 54 -7.851 9.116 2.916 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.646 6.424 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.721 8.128 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.970 8.393 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.793 6.075 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.548 5.815 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.642 8.007 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.868 6.399 6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.005 6.696 7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.545 8.208 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.849 8.588 8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.693 9.144 7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.138 7.680 8.256 1.00 0.00 H new ATOM 793 N GLY A 55 -9.002 4.998 2.046 1.00 0.00 N ATOM 794 CA GLY A 55 -9.642 4.076 1.159 1.00 0.00 C ATOM 795 C GLY A 55 -9.057 3.881 -0.197 1.00 0.00 C ATOM 796 O GLY A 55 -9.665 3.211 -1.031 1.00 0.00 O ATOM 0 H GLY A 55 -8.440 4.533 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.670 3.104 1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.675 4.399 1.032 1.00 0.00 H new ATOM 800 N ASP A 56 -7.853 4.409 -0.481 1.00 0.00 N ATOM 801 CA ASP A 56 -7.141 4.145 -1.692 1.00 0.00 C ATOM 802 C ASP A 56 -6.548 2.778 -1.709 1.00 0.00 C ATOM 803 O ASP A 56 -6.310 2.159 -0.673 1.00 0.00 O ATOM 804 CB ASP A 56 -6.061 5.219 -1.904 1.00 0.00 C ATOM 805 CG ASP A 56 -6.633 6.557 -2.347 1.00 0.00 C ATOM 806 OD1 ASP A 56 -7.785 6.612 -2.856 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.918 7.587 -2.220 1.00 0.00 O ATOM 0 H ASP A 56 -7.360 5.039 0.152 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.853 4.185 -2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.506 5.357 -0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.350 4.869 -2.652 1.00 0.00 H new ATOM 812 N ARG A 57 -6.304 2.212 -2.904 1.00 0.00 N ATOM 813 CA ARG A 57 -5.926 0.842 -3.070 1.00 0.00 C ATOM 814 C ARG A 57 -4.647 0.736 -3.828 1.00 0.00 C ATOM 815 O ARG A 57 -4.396 1.516 -4.744 1.00 0.00 O ATOM 816 CB ARG A 57 -7.014 0.054 -3.818 1.00 0.00 C ATOM 817 CG ARG A 57 -8.449 0.407 -3.421 1.00 0.00 C ATOM 818 CD ARG A 57 -9.487 -0.514 -4.066 1.00 0.00 C ATOM 819 NE ARG A 57 -10.845 0.072 -3.882 1.00 0.00 N ATOM 820 CZ ARG A 57 -11.315 1.083 -4.668 1.00 0.00 C ATOM 821 NH1 ARG A 57 -10.684 1.471 -5.815 1.00 0.00 N ATOM 822 NH2 ARG A 57 -12.430 1.765 -4.274 1.00 0.00 N ATOM 0 H ARG A 57 -6.372 2.724 -3.784 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.797 0.418 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.896 0.224 -4.888 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.856 -1.011 -3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.545 0.352 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.657 1.438 -3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.272 -0.637 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.441 -1.505 -3.615 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.444 -0.296 -3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.829 1.000 -6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.067 2.232 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.899 1.516 -3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.794 2.524 -4.850 1.00 0.00 H new ATOM 836 N VAL A 58 -3.765 -0.229 -3.511 1.00 0.00 N ATOM 837 CA VAL A 58 -2.540 -0.428 -4.222 1.00 0.00 C ATOM 838 C VAL A 58 -2.614 -1.564 -5.184 1.00 0.00 C ATOM 839 O VAL A 58 -3.383 -2.510 -5.027 1.00 0.00 O ATOM 840 CB VAL A 58 -1.345 -0.649 -3.343 1.00 0.00 C ATOM 841 CG1 VAL A 58 -0.943 0.693 -2.709 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.643 -1.718 -2.277 1.00 0.00 C ATOM 0 H VAL A 58 -3.906 -0.886 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.406 0.513 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.510 -1.021 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.075 0.546 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.697 1.407 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.772 1.078 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.763 -1.862 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.479 -1.392 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.899 -2.658 -2.766 1.00 0.00 H new ATOM 852 N LEU A 59 -1.775 -1.493 -6.233 1.00 0.00 N ATOM 853 CA LEU A 59 -1.621 -2.501 -7.235 1.00 0.00 C ATOM 854 C LEU A 59 -0.197 -2.940 -7.236 1.00 0.00 C ATOM 855 O LEU A 59 0.189 -3.863 -6.520 1.00 0.00 O ATOM 856 CB LEU A 59 -2.028 -1.978 -8.623 1.00 0.00 C ATOM 857 CG LEU A 59 -3.495 -2.198 -9.028 1.00 0.00 C ATOM 858 CD1 LEU A 59 -4.513 -1.502 -8.110 1.00 0.00 C ATOM 859 CD2 LEU A 59 -3.710 -1.723 -10.476 1.00 0.00 C ATOM 0 H LEU A 59 -1.171 -0.686 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.275 -3.343 -7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.819 -0.909 -8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.392 -2.454 -9.369 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.675 -3.269 -8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.523 -1.707 -8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.402 -1.878 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.336 -0.426 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.751 -1.880 -10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.470 -0.662 -10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.062 -2.289 -11.145 1.00 0.00 H new ATOM 871 N ALA A 60 0.654 -2.302 -8.058 1.00 0.00 N ATOM 872 CA ALA A 60 1.963 -2.783 -8.377 1.00 0.00 C ATOM 873 C ALA A 60 3.049 -2.151 -7.578 1.00 0.00 C ATOM 874 O ALA A 60 2.975 -0.981 -7.206 1.00 0.00 O ATOM 875 CB ALA A 60 2.244 -2.579 -9.876 1.00 0.00 C ATOM 0 H ALA A 60 0.424 -1.421 -8.517 1.00 0.00 H new ATOM 0 HA ALA A 60 1.967 -3.843 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.242 -2.947 -10.112 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.507 -3.127 -10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.182 -1.518 -10.117 1.00 0.00 H new ATOM 881 N VAL A 61 4.124 -2.912 -7.307 1.00 0.00 N ATOM 882 CA VAL A 61 5.282 -2.474 -6.590 1.00 0.00 C ATOM 883 C VAL A 61 6.425 -2.443 -7.546 1.00 0.00 C ATOM 884 O VAL A 61 6.999 -3.475 -7.886 1.00 0.00 O ATOM 885 CB VAL A 61 5.604 -3.356 -5.420 1.00 0.00 C ATOM 886 CG1 VAL A 61 6.861 -2.869 -4.679 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.416 -3.361 -4.446 1.00 0.00 C ATOM 0 H VAL A 61 4.189 -3.886 -7.604 1.00 0.00 H new ATOM 0 HA VAL A 61 5.087 -1.484 -6.179 1.00 0.00 H new ATOM 0 HB VAL A 61 5.795 -4.362 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 61 7.066 -3.530 -3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.711 -2.876 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.698 -1.855 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.646 -4.001 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.228 -2.346 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.530 -3.740 -4.955 1.00 0.00 H new ATOM 897 N ASN A 62 6.776 -1.243 -8.042 1.00 0.00 N ATOM 898 CA ASN A 62 7.827 -0.989 -8.978 1.00 0.00 C ATOM 899 C ASN A 62 7.666 -1.768 -10.237 1.00 0.00 C ATOM 900 O ASN A 62 8.481 -2.617 -10.596 1.00 0.00 O ATOM 901 CB ASN A 62 9.204 -1.064 -8.296 1.00 0.00 C ATOM 902 CG ASN A 62 10.356 -0.689 -9.217 1.00 0.00 C ATOM 903 OD1 ASN A 62 10.298 0.267 -9.990 1.00 0.00 O ATOM 904 ND2 ASN A 62 11.463 -1.477 -9.154 1.00 0.00 N ATOM 0 H ASN A 62 6.289 -0.389 -7.768 1.00 0.00 H new ATOM 0 HA ASN A 62 7.755 0.042 -9.325 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.209 -0.401 -7.431 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.362 -2.076 -7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.264 -1.280 -9.754 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.492 -2.265 -8.507 1.00 0.00 H new ATOM 911 N GLY A 63 6.552 -1.533 -10.953 1.00 0.00 N ATOM 912 CA GLY A 63 6.202 -2.239 -12.146 1.00 0.00 C ATOM 913 C GLY A 63 5.485 -3.527 -11.937 1.00 0.00 C ATOM 914 O GLY A 63 4.582 -3.873 -12.699 1.00 0.00 O ATOM 0 H GLY A 63 5.868 -0.823 -10.690 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.578 -1.591 -12.762 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.113 -2.437 -12.712 1.00 0.00 H new ATOM 918 N VAL A 64 5.860 -4.322 -10.919 1.00 0.00 N ATOM 919 CA VAL A 64 5.446 -5.683 -10.770 1.00 0.00 C ATOM 920 C VAL A 64 4.128 -5.809 -10.088 1.00 0.00 C ATOM 921 O VAL A 64 3.898 -5.253 -9.014 1.00 0.00 O ATOM 922 CB VAL A 64 6.459 -6.483 -10.007 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.099 -7.978 -10.011 1.00 0.00 C ATOM 924 CG2 VAL A 64 7.851 -6.294 -10.634 1.00 0.00 C ATOM 0 H VAL A 64 6.476 -4.004 -10.170 1.00 0.00 H new ATOM 0 HA VAL A 64 5.352 -6.074 -11.783 1.00 0.00 H new ATOM 0 HB VAL A 64 6.464 -6.129 -8.976 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.850 -8.535 -9.451 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.123 -8.118 -9.547 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.069 -8.342 -11.038 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.584 -6.877 -10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.832 -6.631 -11.670 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.125 -5.240 -10.600 1.00 0.00 H new ATOM 934 N SER A 65 3.186 -6.554 -10.696 1.00 0.00 N ATOM 935 CA SER A 65 1.888 -6.807 -10.153 1.00 0.00 C ATOM 936 C SER A 65 1.928 -7.842 -9.081 1.00 0.00 C ATOM 937 O SER A 65 2.392 -8.962 -9.286 1.00 0.00 O ATOM 938 CB SER A 65 0.898 -7.266 -11.238 1.00 0.00 C ATOM 939 OG SER A 65 -0.430 -7.361 -10.746 1.00 0.00 O ATOM 0 H SER A 65 3.336 -6.997 -11.602 1.00 0.00 H new ATOM 0 HA SER A 65 1.550 -5.861 -9.729 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.925 -6.565 -12.072 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.210 -8.236 -11.626 1.00 0.00 H new ATOM 0 HG SER A 65 -1.026 -7.654 -11.467 1.00 0.00 H new ATOM 945 N LEU A 66 1.427 -7.511 -7.878 1.00 0.00 N ATOM 946 CA LEU A 66 1.382 -8.406 -6.764 1.00 0.00 C ATOM 947 C LEU A 66 0.133 -9.218 -6.797 1.00 0.00 C ATOM 948 O LEU A 66 -0.816 -9.023 -6.038 1.00 0.00 O ATOM 949 CB LEU A 66 1.548 -7.653 -5.434 1.00 0.00 C ATOM 950 CG LEU A 66 3.003 -7.509 -4.959 1.00 0.00 C ATOM 951 CD1 LEU A 66 3.910 -6.762 -5.952 1.00 0.00 C ATOM 952 CD2 LEU A 66 3.054 -6.817 -3.586 1.00 0.00 C ATOM 0 H LEU A 66 1.040 -6.590 -7.674 1.00 0.00 H new ATOM 0 HA LEU A 66 2.224 -9.094 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.113 -6.659 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.978 -8.172 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 66 3.393 -8.524 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.920 -6.700 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.931 -7.299 -6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.522 -5.756 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.091 -6.723 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.606 -5.826 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.501 -7.411 -2.858 1.00 0.00 H new ATOM 964 N GLU A 67 0.078 -10.202 -7.712 1.00 0.00 N ATOM 965 CA GLU A 67 -0.971 -11.171 -7.788 1.00 0.00 C ATOM 966 C GLU A 67 -0.974 -12.127 -6.645 1.00 0.00 C ATOM 967 O GLU A 67 -0.203 -13.085 -6.608 1.00 0.00 O ATOM 968 CB GLU A 67 -0.962 -11.930 -9.125 1.00 0.00 C ATOM 969 CG GLU A 67 -1.107 -11.010 -10.339 1.00 0.00 C ATOM 970 CD GLU A 67 -1.527 -11.770 -11.588 1.00 0.00 C ATOM 971 OE1 GLU A 67 -0.731 -12.571 -12.146 1.00 0.00 O ATOM 972 OE2 GLU A 67 -2.702 -11.599 -12.011 1.00 0.00 O ATOM 0 H GLU A 67 0.793 -10.328 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.896 -10.597 -7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.031 -12.491 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.774 -12.657 -9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.844 -10.237 -10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.160 -10.504 -10.525 1.00 0.00 H new ATOM 979 N GLY A 68 -1.847 -11.896 -5.649 1.00 0.00 N ATOM 980 CA GLY A 68 -2.092 -12.798 -4.567 1.00 0.00 C ATOM 981 C GLY A 68 -1.137 -12.706 -3.427 1.00 0.00 C ATOM 982 O GLY A 68 -0.981 -13.660 -2.666 1.00 0.00 O ATOM 0 H GLY A 68 -2.406 -11.044 -5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.099 -12.621 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.071 -13.817 -4.954 1.00 0.00 H new ATOM 986 N ALA A 69 -0.464 -11.555 -3.254 1.00 0.00 N ATOM 987 CA ALA A 69 0.476 -11.342 -2.198 1.00 0.00 C ATOM 988 C ALA A 69 -0.186 -11.101 -0.884 1.00 0.00 C ATOM 989 O ALA A 69 -1.158 -10.352 -0.799 1.00 0.00 O ATOM 990 CB ALA A 69 1.395 -10.156 -2.538 1.00 0.00 C ATOM 0 H ALA A 69 -0.577 -10.748 -3.867 1.00 0.00 H new ATOM 0 HA ALA A 69 1.064 -12.255 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.107 -10.003 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.936 -10.368 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.794 -9.256 -2.668 1.00 0.00 H new ATOM 996 N THR A 70 0.327 -11.731 0.188 1.00 0.00 N ATOM 997 CA THR A 70 -0.192 -11.626 1.516 1.00 0.00 C ATOM 998 C THR A 70 0.238 -10.382 2.214 1.00 0.00 C ATOM 999 O THR A 70 1.086 -9.627 1.739 1.00 0.00 O ATOM 1000 CB THR A 70 0.171 -12.803 2.371 1.00 0.00 C ATOM 1001 OG1 THR A 70 1.571 -13.045 2.364 1.00 0.00 O ATOM 1002 CG2 THR A 70 -0.531 -14.061 1.832 1.00 0.00 C ATOM 0 H THR A 70 1.141 -12.342 0.125 1.00 0.00 H new ATOM 0 HA THR A 70 -1.273 -11.598 1.383 1.00 0.00 H new ATOM 0 HB THR A 70 -0.145 -12.579 3.390 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.772 -13.817 2.932 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.268 -14.918 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.611 -13.913 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.212 -14.244 0.806 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.322 -10.108 3.406 1.00 0.00 N ATOM 1011 CA HIS A 71 -0.026 -8.942 4.179 1.00 0.00 C ATOM 1012 C HIS A 71 1.402 -8.858 4.593 1.00 0.00 C ATOM 1013 O HIS A 71 2.027 -7.804 4.480 1.00 0.00 O ATOM 1014 CB HIS A 71 -0.984 -8.726 5.363 1.00 0.00 C ATOM 1015 CG HIS A 71 -0.949 -7.340 5.934 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.600 -6.258 5.152 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.214 -6.830 7.167 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.628 -5.161 5.955 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -0.981 -5.471 7.189 1.00 0.00 N ATOM 0 H HIS A 71 -1.007 -10.722 3.848 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.200 -8.110 3.497 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.001 -8.948 5.039 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.737 -9.438 6.151 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.559 -7.409 8.011 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.391 -4.160 5.625 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.064 -4.841 7.987 1.00 0.00 H new ATOM 1027 N LYS A 72 2.005 -9.987 5.006 1.00 0.00 N ATOM 1028 CA LYS A 72 3.406 -10.117 5.264 1.00 0.00 C ATOM 1029 C LYS A 72 4.280 -9.815 4.096 1.00 0.00 C ATOM 1030 O LYS A 72 5.285 -9.119 4.239 1.00 0.00 O ATOM 1031 CB LYS A 72 3.683 -11.523 5.821 1.00 0.00 C ATOM 1032 CG LYS A 72 5.124 -11.844 6.222 1.00 0.00 C ATOM 1033 CD LYS A 72 5.762 -10.838 7.182 1.00 0.00 C ATOM 1034 CE LYS A 72 6.941 -11.380 7.992 1.00 0.00 C ATOM 1035 NZ LYS A 72 7.995 -11.961 7.130 1.00 0.00 N ATOM 0 H LYS A 72 1.490 -10.852 5.168 1.00 0.00 H new ATOM 0 HA LYS A 72 3.666 -9.357 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.048 -11.672 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.370 -12.251 5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.146 -12.831 6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.733 -11.901 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.100 -9.975 6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.998 -10.482 7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.367 -10.576 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.583 -12.140 8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.841 -12.160 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.648 -12.845 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.237 -11.287 6.376 1.00 0.00 H new ATOM 1049 N GLN A 73 3.915 -10.236 2.872 1.00 0.00 N ATOM 1050 CA GLN A 73 4.651 -9.957 1.679 1.00 0.00 C ATOM 1051 C GLN A 73 4.569 -8.518 1.303 1.00 0.00 C ATOM 1052 O GLN A 73 5.559 -7.891 0.928 1.00 0.00 O ATOM 1053 CB GLN A 73 4.103 -10.789 0.507 1.00 0.00 C ATOM 1054 CG GLN A 73 4.692 -12.196 0.389 1.00 0.00 C ATOM 1055 CD GLN A 73 6.099 -12.159 -0.190 1.00 0.00 C ATOM 1056 OE1 GLN A 73 7.103 -12.122 0.519 1.00 0.00 O ATOM 1057 NE2 GLN A 73 6.190 -12.175 -1.547 1.00 0.00 N ATOM 0 H GLN A 73 3.076 -10.792 2.707 1.00 0.00 H new ATOM 0 HA GLN A 73 5.691 -10.215 1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.021 -10.871 0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.293 -10.252 -0.422 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.713 -12.667 1.372 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.051 -12.809 -0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.343 -12.206 -2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.105 -12.156 -1.997 1.00 0.00 H new ATOM 1066 N ALA A 74 3.376 -7.909 1.423 1.00 0.00 N ATOM 1067 CA ALA A 74 3.162 -6.517 1.178 1.00 0.00 C ATOM 1068 C ALA A 74 3.892 -5.616 2.113 1.00 0.00 C ATOM 1069 O ALA A 74 4.482 -4.620 1.698 1.00 0.00 O ATOM 1070 CB ALA A 74 1.653 -6.222 1.231 1.00 0.00 C ATOM 0 H ALA A 74 2.529 -8.405 1.701 1.00 0.00 H new ATOM 0 HA ALA A 74 3.567 -6.307 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.483 -5.162 1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.140 -6.811 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.265 -6.484 2.215 1.00 0.00 H new ATOM 1076 N VAL A 75 3.912 -5.923 3.422 1.00 0.00 N ATOM 1077 CA VAL A 75 4.607 -5.168 4.418 1.00 0.00 C ATOM 1078 C VAL A 75 6.089 -5.285 4.312 1.00 0.00 C ATOM 1079 O VAL A 75 6.807 -4.288 4.368 1.00 0.00 O ATOM 1080 CB VAL A 75 4.086 -5.501 5.786 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.976 -4.950 6.913 1.00 0.00 C ATOM 1082 CG2 VAL A 75 2.663 -4.922 5.873 1.00 0.00 C ATOM 0 H VAL A 75 3.422 -6.733 3.803 1.00 0.00 H new ATOM 0 HA VAL A 75 4.402 -4.113 4.235 1.00 0.00 H new ATOM 0 HB VAL A 75 4.085 -6.582 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.550 -5.222 7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.977 -5.373 6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.033 -3.864 6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.241 -5.140 6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.700 -3.843 5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.039 -5.373 5.101 1.00 0.00 H new ATOM 1092 N GLU A 76 6.624 -6.498 4.085 1.00 0.00 N ATOM 1093 CA GLU A 76 8.024 -6.735 3.918 1.00 0.00 C ATOM 1094 C GLU A 76 8.614 -6.038 2.740 1.00 0.00 C ATOM 1095 O GLU A 76 9.669 -5.413 2.826 1.00 0.00 O ATOM 1096 CB GLU A 76 8.269 -8.253 3.884 1.00 0.00 C ATOM 1097 CG GLU A 76 9.739 -8.675 3.942 1.00 0.00 C ATOM 1098 CD GLU A 76 9.881 -10.135 4.350 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.526 -10.470 5.511 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.377 -10.952 3.530 1.00 0.00 O ATOM 0 H GLU A 76 6.060 -7.345 4.015 1.00 0.00 H new ATOM 0 HA GLU A 76 8.544 -6.301 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.743 -8.709 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.827 -8.656 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.202 -8.521 2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.273 -8.043 4.652 1.00 0.00 H new ATOM 1107 N THR A 77 7.917 -6.036 1.590 1.00 0.00 N ATOM 1108 CA THR A 77 8.319 -5.324 0.416 1.00 0.00 C ATOM 1109 C THR A 77 8.220 -3.840 0.513 1.00 0.00 C ATOM 1110 O THR A 77 8.851 -3.125 -0.263 1.00 0.00 O ATOM 1111 CB THR A 77 7.640 -5.777 -0.842 1.00 0.00 C ATOM 1112 OG1 THR A 77 6.224 -5.769 -0.738 1.00 0.00 O ATOM 1113 CG2 THR A 77 8.053 -7.220 -1.173 1.00 0.00 C ATOM 0 H THR A 77 7.043 -6.548 1.473 1.00 0.00 H new ATOM 0 HA THR A 77 9.376 -5.583 0.354 1.00 0.00 H new ATOM 0 HB THR A 77 7.947 -5.075 -1.617 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.932 -6.523 -0.184 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.555 -7.540 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.133 -7.266 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.764 -7.878 -0.353 1.00 0.00 H new ATOM 1121 N LEU A 78 7.464 -3.293 1.481 1.00 0.00 N ATOM 1122 CA LEU A 78 7.431 -1.893 1.777 1.00 0.00 C ATOM 1123 C LEU A 78 8.578 -1.436 2.611 1.00 0.00 C ATOM 1124 O LEU A 78 9.087 -0.337 2.398 1.00 0.00 O ATOM 1125 CB LEU A 78 6.142 -1.478 2.503 1.00 0.00 C ATOM 1126 CG LEU A 78 4.913 -1.389 1.584 1.00 0.00 C ATOM 1127 CD1 LEU A 78 3.627 -1.376 2.428 1.00 0.00 C ATOM 1128 CD2 LEU A 78 4.948 -0.159 0.661 1.00 0.00 C ATOM 0 H LEU A 78 6.852 -3.846 2.081 1.00 0.00 H new ATOM 0 HA LEU A 78 7.486 -1.417 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.938 -2.194 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.299 -0.510 2.978 1.00 0.00 H new ATOM 0 HG LEU A 78 4.929 -2.270 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.760 -1.313 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.569 -2.291 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.639 -0.515 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.056 -0.148 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.979 0.748 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.834 -0.204 0.028 1.00 0.00 H new ATOM 1140 N ARG A 79 9.030 -2.215 3.609 1.00 0.00 N ATOM 1141 CA ARG A 79 10.110 -1.808 4.454 1.00 0.00 C ATOM 1142 C ARG A 79 11.458 -2.146 3.917 1.00 0.00 C ATOM 1143 O ARG A 79 12.431 -1.435 4.166 1.00 0.00 O ATOM 1144 CB ARG A 79 9.904 -2.295 5.899 1.00 0.00 C ATOM 1145 CG ARG A 79 8.798 -1.495 6.591 1.00 0.00 C ATOM 1146 CD ARG A 79 8.608 -1.833 8.070 1.00 0.00 C ATOM 1147 NE ARG A 79 7.614 -0.872 8.628 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.922 0.315 9.226 1.00 0.00 C ATOM 1149 NH1 ARG A 79 9.197 0.725 9.487 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.916 1.158 9.603 1.00 0.00 N ATOM 0 H ARG A 79 8.645 -3.133 3.832 1.00 0.00 H new ATOM 0 HA ARG A 79 10.089 -0.718 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.646 -3.354 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.835 -2.195 6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.023 -0.432 6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.858 -1.669 6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.256 -2.858 8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.555 -1.758 8.605 1.00 0.00 H new ATOM 0 HE ARG A 79 6.627 -1.121 8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.986 0.131 9.232 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.361 1.625 9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.944 0.898 9.437 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.137 2.047 10.051 1.00 0.00 H new ATOM 1164 N ASN A 80 11.597 -3.201 3.093 1.00 0.00 N ATOM 1165 CA ASN A 80 12.823 -3.513 2.427 1.00 0.00 C ATOM 1166 C ASN A 80 13.004 -2.735 1.169 1.00 0.00 C ATOM 1167 O ASN A 80 13.126 -3.289 0.078 1.00 0.00 O ATOM 1168 CB ASN A 80 12.921 -5.015 2.116 1.00 0.00 C ATOM 1169 CG ASN A 80 13.063 -5.819 3.400 1.00 0.00 C ATOM 1170 OD1 ASN A 80 13.470 -5.336 4.456 1.00 0.00 O ATOM 1171 ND2 ASN A 80 12.777 -7.144 3.286 1.00 0.00 N ATOM 0 H ASN A 80 10.839 -3.852 2.885 1.00 0.00 H new ATOM 0 HA ASN A 80 13.620 -3.232 3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.032 -5.339 1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.776 -5.203 1.467 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.899 -7.763 4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.441 -7.519 2.399 1.00 0.00 H new ATOM 1178 N THR A 81 13.046 -1.394 1.263 1.00 0.00 N ATOM 1179 CA THR A 81 13.159 -0.484 0.166 1.00 0.00 C ATOM 1180 C THR A 81 14.492 0.178 0.109 1.00 0.00 C ATOM 1181 O THR A 81 15.425 -0.299 -0.537 1.00 0.00 O ATOM 1182 CB THR A 81 12.067 0.545 0.140 1.00 0.00 C ATOM 1183 OG1 THR A 81 11.864 1.201 1.382 1.00 0.00 O ATOM 1184 CG2 THR A 81 10.757 -0.185 -0.203 1.00 0.00 C ATOM 0 H THR A 81 12.998 -0.916 2.163 1.00 0.00 H new ATOM 0 HA THR A 81 13.048 -1.102 -0.725 1.00 0.00 H new ATOM 0 HB THR A 81 12.357 1.303 -0.587 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.058 0.846 1.812 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.937 0.533 -0.231 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.852 -0.665 -1.177 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.552 -0.940 0.556 1.00 0.00 H new ATOM 1192 N GLY A 82 14.623 1.334 0.783 1.00 0.00 N ATOM 1193 CA GLY A 82 15.708 2.256 0.645 1.00 0.00 C ATOM 1194 C GLY A 82 15.139 3.545 0.161 1.00 0.00 C ATOM 1195 O GLY A 82 14.189 4.065 0.744 1.00 0.00 O ATOM 0 H GLY A 82 13.930 1.643 1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.217 2.395 1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.448 1.875 -0.059 1.00 0.00 H new ATOM 1199 N GLN A 83 15.698 4.131 -0.912 1.00 0.00 N ATOM 1200 CA GLN A 83 15.429 5.492 -1.257 1.00 0.00 C ATOM 1201 C GLN A 83 14.158 5.726 -1.999 1.00 0.00 C ATOM 1202 O GLN A 83 13.358 6.583 -1.627 1.00 0.00 O ATOM 1203 CB GLN A 83 16.621 6.084 -2.027 1.00 0.00 C ATOM 1204 CG GLN A 83 16.742 7.605 -1.907 1.00 0.00 C ATOM 1205 CD GLN A 83 17.146 8.025 -0.501 1.00 0.00 C ATOM 1206 OE1 GLN A 83 17.633 7.255 0.325 1.00 0.00 O ATOM 1207 NE2 GLN A 83 16.959 9.338 -0.200 1.00 0.00 N ATOM 0 H GLN A 83 16.342 3.657 -1.546 1.00 0.00 H new ATOM 0 HA GLN A 83 15.290 6.007 -0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.540 5.626 -1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.529 5.818 -3.080 1.00 0.00 H new ATOM 0 HG2 GLN A 83 17.479 7.970 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 83 15.790 8.068 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 83 16.554 9.967 -0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 83 17.224 9.693 0.719 1.00 0.00 H new ATOM 1216 N VAL A 84 13.912 4.990 -3.097 1.00 0.00 N ATOM 1217 CA VAL A 84 12.979 5.392 -4.105 1.00 0.00 C ATOM 1218 C VAL A 84 11.688 4.649 -4.059 1.00 0.00 C ATOM 1219 O VAL A 84 11.626 3.475 -3.700 1.00 0.00 O ATOM 1220 CB VAL A 84 13.608 5.325 -5.465 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.675 3.895 -6.027 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.894 6.250 -6.463 1.00 0.00 C ATOM 0 H VAL A 84 14.369 4.099 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 84 12.721 6.429 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 84 14.633 5.671 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.140 3.913 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.266 3.269 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.667 3.489 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.377 6.176 -7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.849 5.952 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.949 7.279 -6.109 1.00 0.00 H new ATOM 1232 N VAL A 85 10.582 5.333 -4.402 1.00 0.00 N ATOM 1233 CA VAL A 85 9.249 4.819 -4.346 1.00 0.00 C ATOM 1234 C VAL A 85 8.622 4.874 -5.696 1.00 0.00 C ATOM 1235 O VAL A 85 8.227 5.934 -6.176 1.00 0.00 O ATOM 1236 CB VAL A 85 8.407 5.588 -3.369 1.00 0.00 C ATOM 1237 CG1 VAL A 85 7.001 4.975 -3.260 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.072 5.585 -1.982 1.00 0.00 C ATOM 0 H VAL A 85 10.620 6.296 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 85 9.305 3.784 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 85 8.319 6.613 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.409 5.548 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.517 4.999 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.080 3.943 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.454 6.145 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.179 4.558 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.056 6.049 -2.049 1.00 0.00 H new ATOM 1248 N HIS A 86 8.484 3.717 -6.369 1.00 0.00 N ATOM 1249 CA HIS A 86 7.703 3.565 -7.557 1.00 0.00 C ATOM 1250 C HIS A 86 6.593 2.610 -7.278 1.00 0.00 C ATOM 1251 O HIS A 86 6.836 1.467 -6.897 1.00 0.00 O ATOM 1252 CB HIS A 86 8.534 3.013 -8.727 1.00 0.00 C ATOM 1253 CG HIS A 86 9.317 4.046 -9.482 1.00 0.00 C ATOM 1254 ND1 HIS A 86 10.501 4.563 -8.996 1.00 0.00 N ATOM 1255 CD2 HIS A 86 9.039 4.572 -10.706 1.00 0.00 C ATOM 1256 CE1 HIS A 86 10.923 5.396 -9.928 1.00 0.00 C ATOM 1257 NE2 HIS A 86 10.070 5.444 -10.987 1.00 0.00 N ATOM 0 H HIS A 86 8.936 2.852 -6.073 1.00 0.00 H new ATOM 0 HA HIS A 86 7.327 4.548 -7.840 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.225 2.263 -8.342 1.00 0.00 H new ATOM 0 HB3 HIS A 86 7.865 2.504 -9.421 1.00 0.00 H new ATOM 0 HD2 HIS A 86 8.185 4.352 -11.330 1.00 0.00 H new ATOM 0 HE1 HIS A 86 11.835 5.970 -9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.173 6.014 -11.826 1.00 0.00 H new ATOM 1265 N LEU A 87 5.322 3.022 -7.434 1.00 0.00 N ATOM 1266 CA LEU A 87 4.207 2.141 -7.271 1.00 0.00 C ATOM 1267 C LEU A 87 3.059 2.531 -8.137 1.00 0.00 C ATOM 1268 O LEU A 87 3.001 3.651 -8.641 1.00 0.00 O ATOM 1269 CB LEU A 87 3.739 1.980 -5.814 1.00 0.00 C ATOM 1270 CG LEU A 87 2.941 3.133 -5.183 1.00 0.00 C ATOM 1271 CD1 LEU A 87 2.196 2.647 -3.928 1.00 0.00 C ATOM 1272 CD2 LEU A 87 3.815 4.342 -4.805 1.00 0.00 C ATOM 0 H LEU A 87 5.065 3.979 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 87 4.579 1.167 -7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.127 1.080 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.621 1.806 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 87 2.235 3.461 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.636 3.475 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.508 1.847 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.916 2.274 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.190 5.119 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.571 4.033 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.303 4.731 -5.698 1.00 0.00 H new ATOM 1284 N LEU A 88 2.065 1.635 -8.276 1.00 0.00 N ATOM 1285 CA LEU A 88 0.837 1.899 -8.961 1.00 0.00 C ATOM 1286 C LEU A 88 -0.272 1.711 -7.985 1.00 0.00 C ATOM 1287 O LEU A 88 -0.290 0.767 -7.195 1.00 0.00 O ATOM 1288 CB LEU A 88 0.528 0.964 -10.142 1.00 0.00 C ATOM 1289 CG LEU A 88 1.121 1.362 -11.504 1.00 0.00 C ATOM 1290 CD1 LEU A 88 2.657 1.291 -11.563 1.00 0.00 C ATOM 1291 CD2 LEU A 88 0.527 0.481 -12.616 1.00 0.00 C ATOM 0 H LEU A 88 2.119 0.690 -7.896 1.00 0.00 H new ATOM 0 HA LEU A 88 0.933 2.908 -9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.889 -0.034 -9.891 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.555 0.894 -10.248 1.00 0.00 H new ATOM 0 HG LEU A 88 0.851 2.408 -11.652 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.997 1.586 -12.556 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.081 1.965 -10.819 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.982 0.271 -11.357 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.953 0.771 -13.576 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.761 -0.565 -12.416 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.555 0.612 -12.645 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.246 2.637 -8.025 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.365 2.699 -7.136 1.00 0.00 C ATOM 1305 C LEU A 89 -3.611 2.720 -7.951 1.00 0.00 C ATOM 1306 O LEU A 89 -3.607 3.141 -9.107 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.367 3.975 -6.277 1.00 0.00 C ATOM 1308 CG LEU A 89 -1.073 4.260 -5.495 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -0.059 5.078 -6.311 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -1.402 5.058 -4.222 1.00 0.00 C ATOM 0 H LEU A 89 -1.253 3.386 -8.718 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.305 1.834 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.571 4.826 -6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.191 3.910 -5.567 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.631 3.292 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.835 5.251 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.209 4.529 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.501 6.035 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.483 5.258 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.874 6.002 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.082 4.480 -3.596 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.746 2.303 -7.361 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.055 2.522 -7.894 1.00 0.00 C ATOM 1324 C GLU A 90 -6.741 3.447 -6.950 1.00 0.00 C ATOM 1325 O GLU A 90 -6.697 3.270 -5.735 1.00 0.00 O ATOM 1326 CB GLU A 90 -6.861 1.217 -8.007 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.225 1.367 -8.686 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.042 0.090 -8.557 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -9.357 -0.305 -7.402 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -9.373 -0.559 -9.585 1.00 0.00 O ATOM 0 H GLU A 90 -4.752 1.793 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.980 2.933 -8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.271 0.488 -8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.010 0.810 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.769 2.198 -8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.086 1.609 -9.740 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.390 4.506 -7.469 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.052 5.455 -6.628 1.00 0.00 C ATOM 1339 C LYS A 91 -9.255 4.887 -5.956 1.00 0.00 C ATOM 1340 O LYS A 91 -10.020 4.119 -6.537 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.381 6.744 -7.398 1.00 0.00 C ATOM 1342 CG LYS A 91 -8.699 7.957 -6.522 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.487 8.427 -5.715 1.00 0.00 C ATOM 1344 CE LYS A 91 -7.835 9.404 -4.589 1.00 0.00 C ATOM 1345 NZ LYS A 91 -6.628 9.623 -3.762 1.00 0.00 N ATOM 0 H LYS A 91 -7.456 4.704 -8.467 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.354 5.712 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.536 6.991 -8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.233 6.552 -8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.052 8.774 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.511 7.706 -5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.988 7.558 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.776 8.903 -6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.186 10.349 -5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.644 9.004 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.671 10.567 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.583 8.901 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.780 9.555 -4.360 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.448 5.204 -4.662 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.470 4.610 -3.858 1.00 0.00 C ATOM 1361 C GLY A 92 -11.841 5.137 -4.106 1.00 0.00 C ATOM 1362 O GLY A 92 -12.596 4.598 -4.914 1.00 0.00 O ATOM 0 H GLY A 92 -8.880 5.889 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.472 3.534 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.221 4.762 -2.808 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.475 -8.788 11.328 1.00 0.00 N ATOM 1561 CA GLN B 11 -3.104 -7.655 11.934 1.00 0.00 C ATOM 1562 C GLN B 11 -2.877 -6.462 11.071 1.00 0.00 C ATOM 1563 O GLN B 11 -3.275 -6.472 9.907 1.00 0.00 O ATOM 1564 CB GLN B 11 -2.671 -7.471 13.398 1.00 0.00 C ATOM 1565 CG GLN B 11 -3.575 -6.522 14.189 1.00 0.00 C ATOM 1566 CD GLN B 11 -3.211 -6.471 15.665 1.00 0.00 C ATOM 1567 OE1 GLN B 11 -3.448 -7.426 16.404 1.00 0.00 O ATOM 1568 NE2 GLN B 11 -2.626 -5.330 16.120 1.00 0.00 N ATOM 0 HA GLN B 11 -4.181 -7.813 11.997 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -2.660 -8.444 13.890 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -1.650 -7.091 13.421 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -3.505 -5.520 13.765 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -4.612 -6.841 14.084 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -2.445 -4.559 15.478 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -2.369 -5.246 17.103 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.263 -5.377 11.577 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.265 -4.075 10.988 1.00 0.00 C ATOM 1579 C VAL B 12 -0.862 -3.583 10.877 1.00 0.00 C ATOM 1580 O VAL B 12 -0.018 -3.865 11.725 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.101 -3.139 11.810 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.047 -1.689 11.301 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -4.574 -3.581 11.770 1.00 0.00 C ATOM 0 H VAL B 12 -1.734 -5.412 12.449 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.699 -4.123 9.989 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.693 -3.174 12.820 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.670 -1.058 11.934 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.018 -1.331 11.332 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.414 -1.649 10.275 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.175 -2.897 12.369 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.929 -3.570 10.740 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.662 -4.590 12.173 1.00 0.00 H new ATOM 1593 N SER B 13 -0.549 -2.813 9.820 1.00 0.00 N ATOM 1594 CA SER B 13 0.743 -2.264 9.547 1.00 0.00 C ATOM 1595 C SER B 13 0.687 -0.787 9.348 1.00 0.00 C ATOM 1596 O SER B 13 -0.367 -0.209 9.088 1.00 0.00 O ATOM 1597 CB SER B 13 1.361 -2.845 8.264 1.00 0.00 C ATOM 1598 OG SER B 13 0.406 -2.866 7.212 1.00 0.00 O ATOM 0 H SER B 13 -1.240 -2.559 9.114 1.00 0.00 H new ATOM 0 HA SER B 13 1.347 -2.520 10.417 1.00 0.00 H new ATOM 0 HB2 SER B 13 2.223 -2.248 7.967 1.00 0.00 H new ATOM 0 HB3 SER B 13 1.723 -3.856 8.454 1.00 0.00 H new ATOM 0 HG SER B 13 0.868 -2.813 6.349 1.00 0.00 H new ATOM 1604 N ALA B 14 1.852 -0.121 9.430 1.00 0.00 N ATOM 1605 CA ALA B 14 2.045 1.198 8.912 1.00 0.00 C ATOM 1606 C ALA B 14 3.441 1.338 8.410 1.00 0.00 C ATOM 1607 O ALA B 14 4.330 0.574 8.784 1.00 0.00 O ATOM 1608 CB ALA B 14 1.753 2.280 9.966 1.00 0.00 C ATOM 0 H ALA B 14 2.685 -0.512 9.870 1.00 0.00 H new ATOM 0 HA ALA B 14 1.340 1.342 8.093 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.912 3.266 9.529 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.719 2.194 10.299 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.421 2.148 10.817 1.00 0.00 H new ATOM 1614 N VAL B 15 3.687 2.316 7.520 1.00 0.00 N ATOM 1615 CA VAL B 15 4.982 2.605 6.985 1.00 0.00 C ATOM 1616 C VAL B 15 5.031 4.068 6.568 1.00 0.00 C ATOM 1617 O VAL B 15 3.998 4.603 6.082 1.00 0.00 O ATOM 1618 CB VAL B 15 5.404 1.661 5.898 1.00 0.00 C ATOM 1619 CG1 VAL B 15 4.484 1.764 4.671 1.00 0.00 C ATOM 1620 CG2 VAL B 15 6.875 1.888 5.510 1.00 0.00 C ATOM 1621 OXT VAL B 15 6.089 4.722 6.764 1.00 0.00 O ATOM 0 H VAL B 15 2.956 2.929 7.159 1.00 0.00 H new ATOM 0 HA VAL B 15 5.723 2.442 7.767 1.00 0.00 H new ATOM 0 HB VAL B 15 5.312 0.648 6.289 1.00 0.00 H new ATOM 0 HG11 VAL B 15 4.820 1.066 3.904 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.462 1.520 4.961 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.516 2.779 4.276 1.00 0.00 H new ATOM 0 HG21 VAL B 15 7.155 1.191 4.720 1.00 0.00 H new ATOM 0 HG22 VAL B 15 7.004 2.910 5.154 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.510 1.724 6.380 1.00 0.00 H new