USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 732 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 86 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 91 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.09) USER MOD Single : A 11 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-1.7) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc=-0.00116 USER MOD Single : A 29 MET CE :methyl 166:sc= 0 (180deg=-0.225) USER MOD Single : A 31 CYS SG : rot 26:sc= 0.23 USER MOD Single : A 32 LYS NZ :NH3+ 138:sc= -0.118 (180deg=-1.71) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0562 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0529) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.551 K(o=-0.55,f=-3.3) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -2.4 X(o=-2.4,f=-2.7!) USER MOD Single : A 67 SER OG : rot 180:sc=-0.00793 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -27:sc= 1.21 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 98:sc= -1.91 USER MOD Single : A 87 ASN : amide:sc= -1.51! C(o=-1.5!,f=-5.3!) USER MOD Single : A 92 ASN : amide:sc= 0.579 K(o=0.58,f=-5.7!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.411 25.236 1.252 1.00 0.00 N ATOM 60 CA GLY A 7 2.366 23.812 0.977 1.00 0.00 C ATOM 61 C GLY A 7 3.747 23.189 0.923 1.00 0.00 C ATOM 62 O GLY A 7 4.723 23.853 0.572 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.776 23.315 1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.857 23.644 0.028 1.00 0.00 H new ATOM 66 N PHE A 8 3.831 21.909 1.273 1.00 0.00 N ATOM 67 CA PHE A 8 5.103 21.197 1.265 1.00 0.00 C ATOM 68 C PHE A 8 5.054 20.006 0.312 1.00 0.00 C ATOM 69 O PHE A 8 4.218 19.114 0.460 1.00 0.00 O ATOM 70 CB PHE A 8 5.454 20.721 2.676 1.00 0.00 C ATOM 71 CG PHE A 8 5.029 21.677 3.754 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.834 22.750 4.104 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.825 21.505 4.416 1.00 0.00 C ATOM 74 CE1 PHE A 8 5.446 23.630 5.096 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.431 22.382 5.409 1.00 0.00 C ATOM 76 CZ PHE A 8 4.242 23.447 5.748 1.00 0.00 C ATOM 0 H PHE A 8 3.033 21.345 1.565 1.00 0.00 H new ATOM 0 HA PHE A 8 5.874 21.885 0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.983 19.754 2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.531 20.567 2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.775 22.900 3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.186 20.675 4.153 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.084 24.460 5.361 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.490 22.235 5.919 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.936 24.136 6.521 1.00 0.00 H new ATOM 86 N ARG A 9 5.954 20.000 -0.665 1.00 0.00 N ATOM 87 CA ARG A 9 6.013 18.920 -1.643 1.00 0.00 C ATOM 88 C ARG A 9 5.761 17.570 -0.978 1.00 0.00 C ATOM 89 O ARG A 9 6.241 17.292 0.121 1.00 0.00 O ATOM 90 CB ARG A 9 7.373 18.910 -2.342 1.00 0.00 C ATOM 91 CG ARG A 9 7.394 18.091 -3.623 1.00 0.00 C ATOM 92 CD ARG A 9 8.761 18.132 -4.288 1.00 0.00 C ATOM 93 NE ARG A 9 8.704 17.700 -5.682 1.00 0.00 N ATOM 94 CZ ARG A 9 9.772 17.333 -6.382 1.00 0.00 C ATOM 95 NH1 ARG A 9 10.973 17.346 -5.820 1.00 0.00 N ATOM 96 NH2 ARG A 9 9.639 16.952 -7.646 1.00 0.00 N ATOM 0 H ARG A 9 6.653 20.731 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 9 5.233 19.092 -2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.661 19.936 -2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.122 18.515 -1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.127 17.058 -3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.641 18.473 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.158 19.146 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.451 17.492 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 9 7.795 17.679 -6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.078 17.638 -4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.792 17.064 -6.359 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.716 16.941 -8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.459 16.670 -8.183 1.00 0.00 H new ATOM 110 N PRO A 10 4.989 16.710 -1.659 1.00 0.00 N ATOM 111 CA PRO A 10 4.655 15.375 -1.154 1.00 0.00 C ATOM 112 C PRO A 10 5.860 14.440 -1.146 1.00 0.00 C ATOM 113 O PRO A 10 6.320 13.995 -2.199 1.00 0.00 O ATOM 114 CB PRO A 10 3.597 14.876 -2.141 1.00 0.00 C ATOM 115 CG PRO A 10 3.870 15.626 -3.399 1.00 0.00 C ATOM 116 CD PRO A 10 4.383 16.974 -2.975 1.00 0.00 C ATOM 0 HA PRO A 10 4.312 15.405 -0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.676 13.800 -2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.589 15.072 -1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.605 15.104 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.965 15.724 -3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.114 17.367 -3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.579 17.707 -2.907 1.00 0.00 H new ATOM 124 N HIS A 11 6.368 14.146 0.046 1.00 0.00 N ATOM 125 CA HIS A 11 7.519 13.262 0.190 1.00 0.00 C ATOM 126 C HIS A 11 7.199 12.100 1.126 1.00 0.00 C ATOM 127 O HIS A 11 6.579 12.286 2.173 1.00 0.00 O ATOM 128 CB HIS A 11 8.723 14.041 0.720 1.00 0.00 C ATOM 129 CG HIS A 11 9.695 13.196 1.484 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.266 12.052 0.968 1.00 0.00 N ATOM 131 CD2 HIS A 11 10.197 13.334 2.734 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.076 11.522 1.868 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.052 12.282 2.948 1.00 0.00 N ATOM 0 H HIS A 11 6.001 14.507 0.927 1.00 0.00 H new ATOM 0 HA HIS A 11 7.760 12.858 -0.793 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.241 14.508 -0.118 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.369 14.846 1.364 1.00 0.00 H new ATOM 0 HD2 HIS A 11 9.967 14.125 3.433 1.00 0.00 H new ATOM 0 HE1 HIS A 11 11.658 10.621 1.742 1.00 0.00 H new ATOM 0 HE2 HIS A 11 11.583 12.114 3.803 1.00 0.00 H new ATOM 141 N PHE A 12 7.625 10.902 0.740 1.00 0.00 N ATOM 142 CA PHE A 12 7.382 9.709 1.544 1.00 0.00 C ATOM 143 C PHE A 12 8.495 9.507 2.567 1.00 0.00 C ATOM 144 O PHE A 12 9.605 9.099 2.221 1.00 0.00 O ATOM 145 CB PHE A 12 7.270 8.477 0.644 1.00 0.00 C ATOM 146 CG PHE A 12 6.170 8.576 -0.374 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.847 8.399 -0.004 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.460 8.845 -1.702 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.833 8.490 -0.939 1.00 0.00 C ATOM 150 CE2 PHE A 12 5.450 8.937 -2.641 1.00 0.00 C ATOM 151 CZ PHE A 12 4.135 8.758 -2.259 1.00 0.00 C ATOM 0 H PHE A 12 8.140 10.731 -0.124 1.00 0.00 H new ATOM 0 HA PHE A 12 6.442 9.846 2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.219 8.326 0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.101 7.597 1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.605 8.187 1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.487 8.984 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.805 8.352 -0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.689 9.149 -3.673 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.344 8.828 -2.992 1.00 0.00 H new ATOM 161 N LEU A 13 8.192 9.795 3.828 1.00 0.00 N ATOM 162 CA LEU A 13 9.166 9.645 4.903 1.00 0.00 C ATOM 163 C LEU A 13 9.742 8.233 4.923 1.00 0.00 C ATOM 164 O LEU A 13 10.959 8.049 4.911 1.00 0.00 O ATOM 165 CB LEU A 13 8.520 9.964 6.252 1.00 0.00 C ATOM 166 CG LEU A 13 7.907 11.358 6.390 1.00 0.00 C ATOM 167 CD1 LEU A 13 7.040 11.439 7.636 1.00 0.00 C ATOM 168 CD2 LEU A 13 8.998 12.419 6.427 1.00 0.00 C ATOM 0 H LEU A 13 7.279 10.134 4.131 1.00 0.00 H new ATOM 0 HA LEU A 13 9.980 10.347 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.741 9.226 6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.273 9.841 7.031 1.00 0.00 H new ATOM 0 HG LEU A 13 7.276 11.544 5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.612 12.438 7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.237 10.705 7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.648 11.232 8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.544 13.405 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.655 12.236 7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.578 12.377 5.505 1.00 0.00 H new ATOM 180 N GLN A 14 8.860 7.240 4.952 1.00 0.00 N ATOM 181 CA GLN A 14 9.281 5.844 4.972 1.00 0.00 C ATOM 182 C GLN A 14 8.384 4.992 4.080 1.00 0.00 C ATOM 183 O GLN A 14 7.170 4.940 4.273 1.00 0.00 O ATOM 184 CB GLN A 14 9.260 5.303 6.403 1.00 0.00 C ATOM 185 CG GLN A 14 10.519 5.621 7.192 1.00 0.00 C ATOM 186 CD GLN A 14 10.478 5.070 8.603 1.00 0.00 C ATOM 187 OE1 GLN A 14 10.882 3.933 8.850 1.00 0.00 O ATOM 188 NE2 GLN A 14 9.989 5.875 9.540 1.00 0.00 N ATOM 0 H GLN A 14 7.849 7.376 4.962 1.00 0.00 H new ATOM 0 HA GLN A 14 10.299 5.792 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.399 5.718 6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.124 4.222 6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.383 5.210 6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.655 6.702 7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.665 6.810 9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.937 5.558 10.508 1.00 0.00 H new ATOM 197 N ALA A 15 8.991 4.325 3.104 1.00 0.00 N ATOM 198 CA ALA A 15 8.247 3.473 2.183 1.00 0.00 C ATOM 199 C ALA A 15 8.653 2.012 2.338 1.00 0.00 C ATOM 200 O ALA A 15 9.771 1.692 2.745 1.00 0.00 O ATOM 201 CB ALA A 15 8.462 3.933 0.749 1.00 0.00 C ATOM 0 H ALA A 15 9.996 4.358 2.930 1.00 0.00 H new ATOM 0 HA ALA A 15 7.187 3.556 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.901 3.288 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.116 4.961 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.523 3.880 0.505 1.00 0.00 H new ATOM 207 N PRO A 16 7.726 1.101 2.008 1.00 0.00 N ATOM 208 CA PRO A 16 7.964 -0.342 2.102 1.00 0.00 C ATOM 209 C PRO A 16 8.961 -0.835 1.059 1.00 0.00 C ATOM 210 O PRO A 16 9.436 -0.063 0.227 1.00 0.00 O ATOM 211 CB PRO A 16 6.581 -0.948 1.849 1.00 0.00 C ATOM 212 CG PRO A 16 5.861 0.077 1.043 1.00 0.00 C ATOM 213 CD PRO A 16 6.373 1.410 1.516 1.00 0.00 C ATOM 0 HA PRO A 16 8.397 -0.621 3.063 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.655 -1.894 1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.061 -1.153 2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.052 -0.059 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.783 -0.000 1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.397 2.141 0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.744 1.825 2.303 1.00 0.00 H new ATOM 221 N GLY A 17 9.272 -2.127 1.107 1.00 0.00 N ATOM 222 CA GLY A 17 10.211 -2.700 0.160 1.00 0.00 C ATOM 223 C GLY A 17 9.807 -4.091 -0.287 1.00 0.00 C ATOM 224 O GLY A 17 8.703 -4.291 -0.793 1.00 0.00 O ATOM 0 H GLY A 17 8.890 -2.787 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.286 -2.049 -0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.201 -2.741 0.614 1.00 0.00 H new ATOM 228 N ASP A 18 10.703 -5.053 -0.101 1.00 0.00 N ATOM 229 CA ASP A 18 10.435 -6.433 -0.490 1.00 0.00 C ATOM 230 C ASP A 18 9.955 -7.250 0.706 1.00 0.00 C ATOM 231 O ASP A 18 10.702 -7.473 1.659 1.00 0.00 O ATOM 232 CB ASP A 18 11.690 -7.070 -1.088 1.00 0.00 C ATOM 233 CG ASP A 18 12.938 -6.755 -0.286 1.00 0.00 C ATOM 234 OD1 ASP A 18 13.508 -5.662 -0.482 1.00 0.00 O ATOM 235 OD2 ASP A 18 13.343 -7.602 0.537 1.00 0.00 O ATOM 0 H ASP A 18 11.621 -4.903 0.317 1.00 0.00 H new ATOM 0 HA ASP A 18 9.647 -6.426 -1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.557 -8.151 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.821 -6.717 -2.111 1.00 0.00 H new ATOM 240 N LEU A 19 8.704 -7.694 0.649 1.00 0.00 N ATOM 241 CA LEU A 19 8.123 -8.486 1.727 1.00 0.00 C ATOM 242 C LEU A 19 7.595 -9.817 1.201 1.00 0.00 C ATOM 243 O LEU A 19 7.291 -9.953 0.016 1.00 0.00 O ATOM 244 CB LEU A 19 6.994 -7.709 2.406 1.00 0.00 C ATOM 245 CG LEU A 19 7.423 -6.677 3.450 1.00 0.00 C ATOM 246 CD1 LEU A 19 8.180 -5.534 2.791 1.00 0.00 C ATOM 247 CD2 LEU A 19 6.212 -6.150 4.207 1.00 0.00 C ATOM 0 H LEU A 19 8.073 -7.519 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 19 8.906 -8.690 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.417 -7.198 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.325 -8.424 2.885 1.00 0.00 H new ATOM 0 HG LEU A 19 8.089 -7.164 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.477 -4.809 3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.068 -5.924 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.538 -5.048 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.536 -5.417 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.522 -5.679 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.710 -6.976 4.711 1.00 0.00 H new ATOM 259 N THR A 20 7.486 -10.798 2.092 1.00 0.00 N ATOM 260 CA THR A 20 6.994 -12.118 1.719 1.00 0.00 C ATOM 261 C THR A 20 5.840 -12.549 2.617 1.00 0.00 C ATOM 262 O THR A 20 5.926 -12.459 3.842 1.00 0.00 O ATOM 263 CB THR A 20 8.111 -13.176 1.795 1.00 0.00 C ATOM 264 OG1 THR A 20 9.290 -12.691 1.144 1.00 0.00 O ATOM 265 CG2 THR A 20 7.667 -14.479 1.146 1.00 0.00 C ATOM 0 H THR A 20 7.732 -10.703 3.077 1.00 0.00 H new ATOM 0 HA THR A 20 6.642 -12.045 0.690 1.00 0.00 H new ATOM 0 HB THR A 20 8.329 -13.367 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.996 -13.369 1.198 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.472 -15.211 1.212 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.786 -14.861 1.662 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.424 -14.300 0.099 1.00 0.00 H new ATOM 273 N VAL A 21 4.760 -13.018 2.001 1.00 0.00 N ATOM 274 CA VAL A 21 3.588 -13.465 2.745 1.00 0.00 C ATOM 275 C VAL A 21 3.006 -14.737 2.141 1.00 0.00 C ATOM 276 O VAL A 21 2.656 -14.771 0.961 1.00 0.00 O ATOM 277 CB VAL A 21 2.497 -12.378 2.779 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.277 -12.871 3.542 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.039 -11.097 3.394 1.00 0.00 C ATOM 0 H VAL A 21 4.672 -13.098 0.988 1.00 0.00 H new ATOM 0 HA VAL A 21 3.918 -13.669 3.764 1.00 0.00 H new ATOM 0 HB VAL A 21 2.193 -12.161 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.517 -12.090 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.876 -13.759 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.563 -13.118 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.254 -10.341 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.372 -11.295 4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.879 -10.736 2.801 1.00 0.00 H new ATOM 289 N GLN A 22 2.904 -15.781 2.958 1.00 0.00 N ATOM 290 CA GLN A 22 2.363 -17.056 2.503 1.00 0.00 C ATOM 291 C GLN A 22 0.880 -16.930 2.167 1.00 0.00 C ATOM 292 O GLN A 22 0.082 -16.494 2.995 1.00 0.00 O ATOM 293 CB GLN A 22 2.566 -18.131 3.572 1.00 0.00 C ATOM 294 CG GLN A 22 2.369 -19.547 3.056 1.00 0.00 C ATOM 295 CD GLN A 22 1.908 -20.504 4.138 1.00 0.00 C ATOM 296 OE1 GLN A 22 2.702 -21.270 4.684 1.00 0.00 O ATOM 297 NE2 GLN A 22 0.619 -20.464 4.454 1.00 0.00 N ATOM 0 H GLN A 22 3.189 -15.769 3.937 1.00 0.00 H new ATOM 0 HA GLN A 22 2.898 -17.347 1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.572 -18.039 3.981 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.871 -17.952 4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.636 -19.537 2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.306 -19.908 2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.003 -19.813 3.975 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.251 -21.084 5.175 1.00 0.00 H new ATOM 306 N GLU A 23 0.521 -17.314 0.946 1.00 0.00 N ATOM 307 CA GLU A 23 -0.866 -17.242 0.501 1.00 0.00 C ATOM 308 C GLU A 23 -1.823 -17.545 1.651 1.00 0.00 C ATOM 309 O GLU A 23 -1.572 -18.435 2.463 1.00 0.00 O ATOM 310 CB GLU A 23 -1.107 -18.221 -0.650 1.00 0.00 C ATOM 311 CG GLU A 23 -2.496 -18.117 -1.257 1.00 0.00 C ATOM 312 CD GLU A 23 -2.847 -19.313 -2.121 1.00 0.00 C ATOM 313 OE1 GLU A 23 -2.305 -20.409 -1.866 1.00 0.00 O ATOM 314 OE2 GLU A 23 -3.663 -19.152 -3.052 1.00 0.00 O ATOM 0 H GLU A 23 1.170 -17.678 0.248 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.056 -16.227 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.365 -18.043 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.953 -19.238 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.231 -18.023 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.559 -17.209 -1.857 1.00 0.00 H new ATOM 321 N GLY A 24 -2.921 -16.798 1.712 1.00 0.00 N ATOM 322 CA GLY A 24 -3.898 -17.001 2.765 1.00 0.00 C ATOM 323 C GLY A 24 -3.432 -16.459 4.102 1.00 0.00 C ATOM 324 O GLY A 24 -3.793 -16.985 5.155 1.00 0.00 O ATOM 0 H GLY A 24 -3.151 -16.056 1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.834 -16.516 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.107 -18.066 2.862 1.00 0.00 H new ATOM 328 N LYS A 25 -2.625 -15.404 4.061 1.00 0.00 N ATOM 329 CA LYS A 25 -2.107 -14.789 5.278 1.00 0.00 C ATOM 330 C LYS A 25 -2.391 -13.291 5.293 1.00 0.00 C ATOM 331 O LYS A 25 -2.878 -12.731 4.310 1.00 0.00 O ATOM 332 CB LYS A 25 -0.601 -15.035 5.397 1.00 0.00 C ATOM 333 CG LYS A 25 -0.247 -16.453 5.811 1.00 0.00 C ATOM 334 CD LYS A 25 -0.464 -16.670 7.299 1.00 0.00 C ATOM 335 CE LYS A 25 0.409 -17.796 7.831 1.00 0.00 C ATOM 336 NZ LYS A 25 0.679 -17.647 9.288 1.00 0.00 N ATOM 0 H LYS A 25 -2.315 -14.957 3.198 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.612 -15.245 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.129 -14.817 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.184 -14.338 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.855 -17.160 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.794 -16.657 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.241 -15.749 7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.513 -16.902 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.081 -18.753 7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.353 -17.812 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.277 -18.434 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.169 -16.746 9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.220 -17.657 9.811 1.00 0.00 H new ATOM 350 N LEU A 26 -2.083 -12.647 6.413 1.00 0.00 N ATOM 351 CA LEU A 26 -2.304 -11.212 6.556 1.00 0.00 C ATOM 352 C LEU A 26 -1.153 -10.420 5.943 1.00 0.00 C ATOM 353 O LEU A 26 0.014 -10.658 6.256 1.00 0.00 O ATOM 354 CB LEU A 26 -2.460 -10.844 8.033 1.00 0.00 C ATOM 355 CG LEU A 26 -2.517 -9.350 8.351 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.122 -8.744 8.322 1.00 0.00 C ATOM 357 CD2 LEU A 26 -3.432 -8.631 7.370 1.00 0.00 C ATOM 0 H LEU A 26 -1.680 -13.095 7.235 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.221 -10.957 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.371 -11.310 8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.628 -11.281 8.585 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.924 -9.227 9.355 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.183 -7.680 8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.495 -9.239 9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.688 -8.878 7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.461 -7.568 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.054 -8.763 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.437 -9.046 7.439 1.00 0.00 H new ATOM 369 N CYS A 27 -1.490 -9.477 5.070 1.00 0.00 N ATOM 370 CA CYS A 27 -0.485 -8.649 4.414 1.00 0.00 C ATOM 371 C CYS A 27 -0.710 -7.172 4.724 1.00 0.00 C ATOM 372 O CYS A 27 -1.593 -6.535 4.151 1.00 0.00 O ATOM 373 CB CYS A 27 -0.517 -8.875 2.901 1.00 0.00 C ATOM 374 SG CYS A 27 0.335 -7.597 1.946 1.00 0.00 S ATOM 0 H CYS A 27 -2.451 -9.267 4.800 1.00 0.00 H new ATOM 0 HA CYS A 27 0.494 -8.937 4.797 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.065 -9.842 2.679 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.555 -8.926 2.574 1.00 0.00 H new ATOM 0 HG CYS A 27 0.255 -7.877 0.679 1.00 0.00 H new ATOM 380 N ARG A 28 0.094 -6.636 5.637 1.00 0.00 N ATOM 381 CA ARG A 28 -0.019 -5.236 6.026 1.00 0.00 C ATOM 382 C ARG A 28 1.017 -4.384 5.299 1.00 0.00 C ATOM 383 O ARG A 28 2.043 -4.890 4.845 1.00 0.00 O ATOM 384 CB ARG A 28 0.156 -5.089 7.539 1.00 0.00 C ATOM 385 CG ARG A 28 -1.147 -5.189 8.315 1.00 0.00 C ATOM 386 CD ARG A 28 -0.932 -4.939 9.800 1.00 0.00 C ATOM 387 NE ARG A 28 -0.101 -5.972 10.414 1.00 0.00 N ATOM 388 CZ ARG A 28 -0.013 -6.159 11.726 1.00 0.00 C ATOM 389 NH1 ARG A 28 -0.700 -5.388 12.557 1.00 0.00 N ATOM 390 NH2 ARG A 28 0.764 -7.120 12.209 1.00 0.00 N ATOM 0 H ARG A 28 0.830 -7.150 6.121 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.013 -4.887 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.840 -5.860 7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.622 -4.127 7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.862 -4.465 7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.583 -6.178 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.462 -3.965 9.939 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.897 -4.902 10.305 1.00 0.00 H new ATOM 0 HE ARG A 28 0.441 -6.582 9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.299 -4.648 12.189 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.630 -5.534 13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.294 -7.715 11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.831 -7.263 13.217 1.00 0.00 H new ATOM 404 N MET A 29 0.740 -3.089 5.191 1.00 0.00 N ATOM 405 CA MET A 29 1.648 -2.167 4.519 1.00 0.00 C ATOM 406 C MET A 29 1.380 -0.728 4.950 1.00 0.00 C ATOM 407 O MET A 29 0.296 -0.193 4.718 1.00 0.00 O ATOM 408 CB MET A 29 1.506 -2.292 3.001 1.00 0.00 C ATOM 409 CG MET A 29 2.183 -3.525 2.426 1.00 0.00 C ATOM 410 SD MET A 29 2.688 -3.304 0.710 1.00 0.00 S ATOM 411 CE MET A 29 1.435 -4.263 -0.138 1.00 0.00 C ATOM 0 H MET A 29 -0.106 -2.654 5.560 1.00 0.00 H new ATOM 0 HA MET A 29 2.667 -2.429 4.804 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.447 -2.316 2.744 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.928 -1.404 2.531 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.057 -3.769 3.029 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.502 -4.373 2.494 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.456 -4.028 -1.202 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.633 -5.326 0.003 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.453 -4.019 0.268 1.00 0.00 H new ATOM 421 N ASP A 30 2.373 -0.109 5.579 1.00 0.00 N ATOM 422 CA ASP A 30 2.244 1.268 6.041 1.00 0.00 C ATOM 423 C ASP A 30 3.220 2.182 5.307 1.00 0.00 C ATOM 424 O ASP A 30 4.343 1.784 4.993 1.00 0.00 O ATOM 425 CB ASP A 30 2.488 1.347 7.549 1.00 0.00 C ATOM 426 CG ASP A 30 3.954 1.532 7.889 1.00 0.00 C ATOM 427 OD1 ASP A 30 4.710 0.540 7.817 1.00 0.00 O ATOM 428 OD2 ASP A 30 4.346 2.668 8.227 1.00 0.00 O ATOM 0 H ASP A 30 3.276 -0.539 5.781 1.00 0.00 H new ATOM 0 HA ASP A 30 1.229 1.603 5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.914 2.176 7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.120 0.436 8.022 1.00 0.00 H new ATOM 433 N CYS A 31 2.785 3.407 5.035 1.00 0.00 N ATOM 434 CA CYS A 31 3.620 4.378 4.335 1.00 0.00 C ATOM 435 C CYS A 31 3.362 5.789 4.852 1.00 0.00 C ATOM 436 O CYS A 31 2.214 6.210 4.997 1.00 0.00 O ATOM 437 CB CYS A 31 3.357 4.317 2.830 1.00 0.00 C ATOM 438 SG CYS A 31 1.678 4.792 2.355 1.00 0.00 S ATOM 0 H CYS A 31 1.859 3.752 5.288 1.00 0.00 H new ATOM 0 HA CYS A 31 4.664 4.126 4.524 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.066 4.970 2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.549 3.303 2.479 1.00 0.00 H new ATOM 0 HG CYS A 31 1.181 5.587 3.256 1.00 0.00 H new ATOM 444 N LYS A 32 4.438 6.517 5.131 1.00 0.00 N ATOM 445 CA LYS A 32 4.331 7.882 5.633 1.00 0.00 C ATOM 446 C LYS A 32 4.609 8.892 4.525 1.00 0.00 C ATOM 447 O LYS A 32 5.557 8.738 3.754 1.00 0.00 O ATOM 448 CB LYS A 32 5.305 8.099 6.793 1.00 0.00 C ATOM 449 CG LYS A 32 4.716 7.768 8.153 1.00 0.00 C ATOM 450 CD LYS A 32 5.366 8.586 9.256 1.00 0.00 C ATOM 451 CE LYS A 32 4.408 8.819 10.415 1.00 0.00 C ATOM 452 NZ LYS A 32 3.303 9.746 10.043 1.00 0.00 N ATOM 0 H LYS A 32 5.395 6.184 5.018 1.00 0.00 H new ATOM 0 HA LYS A 32 3.312 8.033 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.191 7.486 6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.632 9.139 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.643 7.958 8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.849 6.706 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.256 8.071 9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.693 9.545 8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.989 7.866 10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.957 9.229 11.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.406 9.390 10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.497 10.691 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.233 9.805 9.007 1.00 0.00 H new ATOM 466 N VAL A 33 3.779 9.928 4.452 1.00 0.00 N ATOM 467 CA VAL A 33 3.937 10.965 3.439 1.00 0.00 C ATOM 468 C VAL A 33 3.600 12.340 4.005 1.00 0.00 C ATOM 469 O VAL A 33 2.536 12.538 4.592 1.00 0.00 O ATOM 470 CB VAL A 33 3.046 10.693 2.213 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.597 11.040 2.518 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.547 11.474 1.007 1.00 0.00 C ATOM 0 H VAL A 33 2.990 10.071 5.083 1.00 0.00 H new ATOM 0 HA VAL A 33 4.982 10.949 3.129 1.00 0.00 H new ATOM 0 HB VAL A 33 3.098 9.630 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.983 10.841 1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.245 10.433 3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.523 12.095 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.906 11.270 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.526 12.541 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.568 11.171 0.776 1.00 0.00 H new ATOM 482 N SER A 34 4.513 13.289 3.823 1.00 0.00 N ATOM 483 CA SER A 34 4.314 14.646 4.317 1.00 0.00 C ATOM 484 C SER A 34 3.803 15.559 3.207 1.00 0.00 C ATOM 485 O SER A 34 4.025 15.302 2.025 1.00 0.00 O ATOM 486 CB SER A 34 5.621 15.200 4.887 1.00 0.00 C ATOM 487 OG SER A 34 5.544 16.603 5.070 1.00 0.00 O ATOM 0 H SER A 34 5.398 13.143 3.337 1.00 0.00 H new ATOM 0 HA SER A 34 3.566 14.612 5.109 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.839 14.717 5.840 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.444 14.963 4.213 1.00 0.00 H new ATOM 0 HG SER A 34 6.391 16.932 5.437 1.00 0.00 H new ATOM 493 N GLY A 35 3.116 16.629 3.598 1.00 0.00 N ATOM 494 CA GLY A 35 2.583 17.564 2.626 1.00 0.00 C ATOM 495 C GLY A 35 1.390 18.335 3.155 1.00 0.00 C ATOM 496 O GLY A 35 0.675 17.857 4.038 1.00 0.00 O ATOM 0 H GLY A 35 2.920 16.864 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.365 18.266 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.291 17.021 1.727 1.00 0.00 H new ATOM 500 N LEU A 36 1.173 19.530 2.618 1.00 0.00 N ATOM 501 CA LEU A 36 0.058 20.369 3.043 1.00 0.00 C ATOM 502 C LEU A 36 -0.569 21.086 1.852 1.00 0.00 C ATOM 503 O LEU A 36 0.088 21.842 1.135 1.00 0.00 O ATOM 504 CB LEU A 36 0.530 21.392 4.078 1.00 0.00 C ATOM 505 CG LEU A 36 -0.546 22.320 4.644 1.00 0.00 C ATOM 506 CD1 LEU A 36 -1.279 21.648 5.794 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.069 23.636 5.097 1.00 0.00 C ATOM 0 H LEU A 36 1.754 19.940 1.887 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.697 19.726 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.990 20.854 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.308 22.005 3.624 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.268 22.532 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.041 22.323 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.753 20.733 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.570 21.405 6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.711 24.284 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.812 23.443 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.547 24.125 4.248 1.00 0.00 H new ATOM 519 N PRO A 37 -1.871 20.847 1.635 1.00 0.00 N ATOM 520 CA PRO A 37 -2.662 19.949 2.481 1.00 0.00 C ATOM 521 C PRO A 37 -2.263 18.487 2.307 1.00 0.00 C ATOM 522 O PRO A 37 -1.212 18.182 1.742 1.00 0.00 O ATOM 523 CB PRO A 37 -4.095 20.174 1.994 1.00 0.00 C ATOM 524 CG PRO A 37 -3.948 20.643 0.588 1.00 0.00 C ATOM 525 CD PRO A 37 -2.670 21.434 0.547 1.00 0.00 C ATOM 0 HA PRO A 37 -2.520 20.158 3.541 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.680 19.255 2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.610 20.914 2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.908 19.800 -0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.797 21.258 0.291 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.169 21.338 -0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.850 22.497 0.709 1.00 0.00 H new ATOM 533 N THR A 38 -3.109 17.585 2.795 1.00 0.00 N ATOM 534 CA THR A 38 -2.845 16.156 2.694 1.00 0.00 C ATOM 535 C THR A 38 -2.775 15.711 1.237 1.00 0.00 C ATOM 536 O THR A 38 -3.677 15.969 0.440 1.00 0.00 O ATOM 537 CB THR A 38 -3.926 15.332 3.419 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.125 15.841 4.742 1.00 0.00 O ATOM 539 CG2 THR A 38 -3.532 13.864 3.488 1.00 0.00 C ATOM 0 H THR A 38 -3.984 17.820 3.264 1.00 0.00 H new ATOM 0 HA THR A 38 -1.882 15.978 3.172 1.00 0.00 H new ATOM 0 HB THR A 38 -4.855 15.416 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.815 15.313 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.310 13.302 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.411 13.472 2.478 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.592 13.765 4.031 1.00 0.00 H new ATOM 547 N PRO A 39 -1.679 15.026 0.879 1.00 0.00 N ATOM 548 CA PRO A 39 -1.465 14.530 -0.484 1.00 0.00 C ATOM 549 C PRO A 39 -2.414 13.391 -0.841 1.00 0.00 C ATOM 550 O PRO A 39 -2.565 12.435 -0.080 1.00 0.00 O ATOM 551 CB PRO A 39 -0.018 14.033 -0.458 1.00 0.00 C ATOM 552 CG PRO A 39 0.244 13.703 0.971 1.00 0.00 C ATOM 553 CD PRO A 39 -0.563 14.683 1.777 1.00 0.00 C ATOM 0 HA PRO A 39 -1.651 15.300 -1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.112 13.159 -1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.670 14.797 -0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.050 12.678 1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.306 13.788 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.918 14.242 2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.023 15.563 2.044 1.00 0.00 H new ATOM 561 N ASP A 40 -3.050 13.499 -2.002 1.00 0.00 N ATOM 562 CA ASP A 40 -3.983 12.476 -2.461 1.00 0.00 C ATOM 563 C ASP A 40 -3.295 11.499 -3.409 1.00 0.00 C ATOM 564 O ASP A 40 -3.168 11.763 -4.605 1.00 0.00 O ATOM 565 CB ASP A 40 -5.181 13.124 -3.157 1.00 0.00 C ATOM 566 CG ASP A 40 -5.869 14.156 -2.285 1.00 0.00 C ATOM 567 OD1 ASP A 40 -5.395 15.310 -2.246 1.00 0.00 O ATOM 568 OD2 ASP A 40 -6.882 13.809 -1.642 1.00 0.00 O ATOM 0 H ASP A 40 -2.937 14.284 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.334 11.922 -1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.848 13.597 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.898 12.351 -3.435 1.00 0.00 H new ATOM 573 N LEU A 41 -2.851 10.370 -2.867 1.00 0.00 N ATOM 574 CA LEU A 41 -2.174 9.353 -3.664 1.00 0.00 C ATOM 575 C LEU A 41 -3.152 8.271 -4.110 1.00 0.00 C ATOM 576 O LEU A 41 -4.179 8.046 -3.469 1.00 0.00 O ATOM 577 CB LEU A 41 -1.032 8.726 -2.863 1.00 0.00 C ATOM 578 CG LEU A 41 -1.426 8.045 -1.552 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.462 6.916 -1.226 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.467 9.058 -0.417 1.00 0.00 C ATOM 0 H LEU A 41 -2.948 10.136 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.765 9.835 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.532 7.992 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.302 9.504 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.423 7.621 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.759 6.443 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.482 6.178 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.547 7.316 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.749 8.556 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.483 9.512 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.198 9.833 -0.647 1.00 0.00 H new ATOM 592 N SER A 42 -2.825 7.601 -5.210 1.00 0.00 N ATOM 593 CA SER A 42 -3.675 6.543 -5.743 1.00 0.00 C ATOM 594 C SER A 42 -2.905 5.230 -5.851 1.00 0.00 C ATOM 595 O SER A 42 -1.781 5.197 -6.352 1.00 0.00 O ATOM 596 CB SER A 42 -4.222 6.941 -7.115 1.00 0.00 C ATOM 597 OG SER A 42 -4.963 8.147 -7.038 1.00 0.00 O ATOM 0 H SER A 42 -1.977 7.772 -5.750 1.00 0.00 H new ATOM 0 HA SER A 42 -4.509 6.400 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.398 7.061 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.857 6.144 -7.502 1.00 0.00 H new ATOM 0 HG SER A 42 -5.300 8.381 -7.928 1.00 0.00 H new ATOM 603 N TRP A 43 -3.518 4.152 -5.378 1.00 0.00 N ATOM 604 CA TRP A 43 -2.891 2.836 -5.421 1.00 0.00 C ATOM 605 C TRP A 43 -2.955 2.248 -6.827 1.00 0.00 C ATOM 606 O TRP A 43 -3.938 2.437 -7.543 1.00 0.00 O ATOM 607 CB TRP A 43 -3.572 1.891 -4.429 1.00 0.00 C ATOM 608 CG TRP A 43 -3.257 2.206 -2.998 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.999 2.973 -2.146 1.00 0.00 C ATOM 610 CD2 TRP A 43 -2.118 1.763 -2.253 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.389 3.034 -0.916 1.00 0.00 N ATOM 612 CE2 TRP A 43 -2.234 2.299 -0.956 1.00 0.00 C ATOM 613 CE3 TRP A 43 -1.012 0.964 -2.555 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -1.285 2.061 0.035 1.00 0.00 C ATOM 615 CZ3 TRP A 43 -0.071 0.729 -1.571 1.00 0.00 C ATOM 616 CH2 TRP A 43 -0.212 1.276 -0.288 1.00 0.00 C ATOM 0 H TRP A 43 -4.448 4.163 -4.960 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.844 2.951 -5.142 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.651 1.938 -4.575 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.266 0.867 -4.644 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.929 3.460 -2.401 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.739 3.544 -0.105 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.895 0.538 -3.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.392 2.481 1.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.788 0.113 -1.794 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.541 1.074 0.460 1.00 0.00 H new ATOM 627 N GLN A 44 -1.901 1.536 -7.214 1.00 0.00 N ATOM 628 CA GLN A 44 -1.839 0.922 -8.535 1.00 0.00 C ATOM 629 C GLN A 44 -1.143 -0.433 -8.473 1.00 0.00 C ATOM 630 O GLN A 44 -0.011 -0.541 -7.997 1.00 0.00 O ATOM 631 CB GLN A 44 -1.106 1.841 -9.514 1.00 0.00 C ATOM 632 CG GLN A 44 -1.773 3.196 -9.692 1.00 0.00 C ATOM 633 CD GLN A 44 -1.312 3.913 -10.945 1.00 0.00 C ATOM 634 OE1 GLN A 44 -0.299 3.551 -11.545 1.00 0.00 O ATOM 635 NE2 GLN A 44 -2.054 4.937 -11.348 1.00 0.00 N ATOM 0 H GLN A 44 -1.080 1.370 -6.632 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.860 0.770 -8.886 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.085 1.991 -9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.041 1.347 -10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.854 3.062 -9.731 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.560 3.818 -8.823 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.886 5.203 -10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.793 5.458 -12.185 1.00 0.00 H new ATOM 644 N LEU A 45 -1.824 -1.466 -8.956 1.00 0.00 N ATOM 645 CA LEU A 45 -1.271 -2.816 -8.955 1.00 0.00 C ATOM 646 C LEU A 45 -0.936 -3.267 -10.373 1.00 0.00 C ATOM 647 O LEU A 45 -1.748 -3.131 -11.287 1.00 0.00 O ATOM 648 CB LEU A 45 -2.260 -3.793 -8.317 1.00 0.00 C ATOM 649 CG LEU A 45 -1.865 -5.270 -8.356 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.567 -5.495 -7.595 1.00 0.00 C ATOM 651 CD2 LEU A 45 -2.978 -6.135 -7.785 1.00 0.00 C ATOM 0 H LEU A 45 -2.761 -1.395 -9.354 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.352 -2.806 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.405 -3.504 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.223 -3.682 -8.816 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.707 -5.557 -9.396 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.301 -6.551 -7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.228 -4.904 -8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.697 -5.191 -6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.679 -7.183 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.168 -5.847 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.885 -5.996 -8.373 1.00 0.00 H new ATOM 663 N ASP A 46 0.265 -3.808 -10.547 1.00 0.00 N ATOM 664 CA ASP A 46 0.707 -4.283 -11.853 1.00 0.00 C ATOM 665 C ASP A 46 0.377 -3.267 -12.942 1.00 0.00 C ATOM 666 O ASP A 46 -0.146 -3.621 -13.997 1.00 0.00 O ATOM 667 CB ASP A 46 0.054 -5.628 -12.178 1.00 0.00 C ATOM 668 CG ASP A 46 0.783 -6.374 -13.278 1.00 0.00 C ATOM 669 OD1 ASP A 46 1.374 -5.710 -14.154 1.00 0.00 O ATOM 670 OD2 ASP A 46 0.761 -7.623 -13.263 1.00 0.00 O ATOM 0 H ASP A 46 0.949 -3.928 -9.800 1.00 0.00 H new ATOM 0 HA ASP A 46 1.789 -4.412 -11.818 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.030 -6.244 -11.279 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.981 -5.463 -12.479 1.00 0.00 H new ATOM 675 N GLY A 47 0.687 -2.001 -12.676 1.00 0.00 N ATOM 676 CA GLY A 47 0.415 -0.953 -13.642 1.00 0.00 C ATOM 677 C GLY A 47 -1.064 -0.809 -13.941 1.00 0.00 C ATOM 678 O GLY A 47 -1.457 -0.622 -15.093 1.00 0.00 O ATOM 0 H GLY A 47 1.121 -1.683 -11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.800 -0.006 -13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.950 -1.168 -14.567 1.00 0.00 H new ATOM 682 N LYS A 48 -1.887 -0.899 -12.902 1.00 0.00 N ATOM 683 CA LYS A 48 -3.332 -0.779 -13.057 1.00 0.00 C ATOM 684 C LYS A 48 -3.971 -0.220 -11.790 1.00 0.00 C ATOM 685 O LYS A 48 -3.469 -0.403 -10.681 1.00 0.00 O ATOM 686 CB LYS A 48 -3.945 -2.140 -13.393 1.00 0.00 C ATOM 687 CG LYS A 48 -3.484 -2.703 -14.726 1.00 0.00 C ATOM 688 CD LYS A 48 -4.372 -3.847 -15.186 1.00 0.00 C ATOM 689 CE LYS A 48 -3.976 -5.159 -14.527 1.00 0.00 C ATOM 690 NZ LYS A 48 -2.731 -5.723 -15.118 1.00 0.00 N ATOM 0 H LYS A 48 -1.578 -1.055 -11.943 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.528 -0.088 -13.877 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.693 -2.847 -12.603 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.031 -2.047 -13.403 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.489 -1.913 -15.477 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.455 -3.053 -14.638 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.412 -3.619 -14.950 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.305 -3.948 -16.269 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.831 -4.999 -13.459 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.787 -5.879 -14.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.596 -6.697 -14.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.809 -5.725 -16.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.917 -5.141 -14.834 1.00 0.00 H new ATOM 704 N PRO A 49 -5.105 0.477 -11.955 1.00 0.00 N ATOM 705 CA PRO A 49 -5.837 1.074 -10.835 1.00 0.00 C ATOM 706 C PRO A 49 -6.496 0.024 -9.947 1.00 0.00 C ATOM 707 O PRO A 49 -7.505 -0.575 -10.321 1.00 0.00 O ATOM 708 CB PRO A 49 -6.899 1.935 -11.524 1.00 0.00 C ATOM 709 CG PRO A 49 -7.097 1.297 -12.856 1.00 0.00 C ATOM 710 CD PRO A 49 -5.760 0.734 -13.249 1.00 0.00 C ATOM 0 HA PRO A 49 -5.179 1.635 -10.171 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.827 1.953 -10.952 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.567 2.968 -11.625 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.851 0.512 -12.804 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.445 2.025 -13.589 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.865 -0.179 -13.835 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.190 1.438 -13.855 1.00 0.00 H new ATOM 718 N VAL A 50 -5.921 -0.195 -8.769 1.00 0.00 N ATOM 719 CA VAL A 50 -6.453 -1.172 -7.828 1.00 0.00 C ATOM 720 C VAL A 50 -7.614 -0.589 -7.029 1.00 0.00 C ATOM 721 O VAL A 50 -7.549 0.546 -6.557 1.00 0.00 O ATOM 722 CB VAL A 50 -5.367 -1.660 -6.851 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.887 -0.517 -5.971 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.891 -2.812 -6.005 1.00 0.00 C ATOM 0 H VAL A 50 -5.086 0.292 -8.444 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.808 -2.018 -8.417 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.517 -2.021 -7.430 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.120 -0.881 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.471 0.273 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.726 -0.122 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.111 -3.145 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.758 -2.479 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.180 -3.638 -6.654 1.00 0.00 H new ATOM 734 N ARG A 51 -8.677 -1.374 -6.882 1.00 0.00 N ATOM 735 CA ARG A 51 -9.853 -0.936 -6.140 1.00 0.00 C ATOM 736 C ARG A 51 -10.071 -1.804 -4.904 1.00 0.00 C ATOM 737 O ARG A 51 -9.776 -2.999 -4.894 1.00 0.00 O ATOM 738 CB ARG A 51 -11.093 -0.985 -7.035 1.00 0.00 C ATOM 739 CG ARG A 51 -11.188 0.180 -8.007 1.00 0.00 C ATOM 740 CD ARG A 51 -11.886 1.376 -7.377 1.00 0.00 C ATOM 741 NE ARG A 51 -13.288 1.096 -7.079 1.00 0.00 N ATOM 742 CZ ARG A 51 -14.028 1.837 -6.261 1.00 0.00 C ATOM 743 NH1 ARG A 51 -13.501 2.896 -5.663 1.00 0.00 N ATOM 744 NH2 ARG A 51 -15.297 1.518 -6.041 1.00 0.00 N ATOM 0 H ARG A 51 -8.748 -2.316 -7.267 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.686 0.091 -5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.088 -1.918 -7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.984 -0.997 -6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.188 0.469 -8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.732 -0.132 -8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.369 1.655 -6.459 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.822 2.230 -8.051 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.723 0.287 -7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.526 3.143 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.071 3.463 -5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.705 0.704 -6.500 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.864 2.087 -5.413 1.00 0.00 H new ATOM 758 N PRO A 52 -10.599 -1.189 -3.835 1.00 0.00 N ATOM 759 CA PRO A 52 -10.868 -1.886 -2.574 1.00 0.00 C ATOM 760 C PRO A 52 -12.019 -2.879 -2.694 1.00 0.00 C ATOM 761 O PRO A 52 -13.002 -2.623 -3.391 1.00 0.00 O ATOM 762 CB PRO A 52 -11.238 -0.752 -1.614 1.00 0.00 C ATOM 763 CG PRO A 52 -11.752 0.335 -2.493 1.00 0.00 C ATOM 764 CD PRO A 52 -10.975 0.234 -3.776 1.00 0.00 C ATOM 0 HA PRO A 52 -10.014 -2.479 -2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.994 -1.071 -0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.373 -0.421 -1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.820 0.218 -2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.613 1.311 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.578 0.526 -4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.098 0.881 -3.767 1.00 0.00 H new ATOM 772 N ASP A 53 -11.892 -4.011 -2.011 1.00 0.00 N ATOM 773 CA ASP A 53 -12.923 -5.042 -2.041 1.00 0.00 C ATOM 774 C ASP A 53 -13.055 -5.717 -0.679 1.00 0.00 C ATOM 775 O ASP A 53 -12.332 -5.388 0.261 1.00 0.00 O ATOM 776 CB ASP A 53 -12.601 -6.085 -3.112 1.00 0.00 C ATOM 777 CG ASP A 53 -12.365 -5.461 -4.474 1.00 0.00 C ATOM 778 OD1 ASP A 53 -13.350 -5.025 -5.106 1.00 0.00 O ATOM 779 OD2 ASP A 53 -11.195 -5.409 -4.907 1.00 0.00 O ATOM 0 H ASP A 53 -11.085 -4.238 -1.430 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.872 -4.565 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.715 -6.646 -2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.423 -6.798 -3.179 1.00 0.00 H new ATOM 784 N SER A 54 -13.983 -6.663 -0.581 1.00 0.00 N ATOM 785 CA SER A 54 -14.214 -7.382 0.667 1.00 0.00 C ATOM 786 C SER A 54 -12.893 -7.817 1.295 1.00 0.00 C ATOM 787 O SER A 54 -12.808 -8.029 2.504 1.00 0.00 O ATOM 788 CB SER A 54 -15.101 -8.604 0.420 1.00 0.00 C ATOM 789 OG SER A 54 -14.510 -9.481 -0.524 1.00 0.00 O ATOM 0 H SER A 54 -14.588 -6.950 -1.351 1.00 0.00 H new ATOM 0 HA SER A 54 -14.721 -6.708 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.266 -9.133 1.359 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.078 -8.281 0.060 1.00 0.00 H new ATOM 0 HG SER A 54 -15.095 -10.255 -0.663 1.00 0.00 H new ATOM 795 N ALA A 55 -11.864 -7.948 0.463 1.00 0.00 N ATOM 796 CA ALA A 55 -10.547 -8.355 0.936 1.00 0.00 C ATOM 797 C ALA A 55 -9.599 -7.164 1.013 1.00 0.00 C ATOM 798 O ALA A 55 -8.967 -6.926 2.043 1.00 0.00 O ATOM 799 CB ALA A 55 -9.971 -9.433 0.029 1.00 0.00 C ATOM 0 H ALA A 55 -11.918 -7.778 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.659 -8.762 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.987 -9.728 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.632 -10.299 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.880 -9.045 -0.985 1.00 0.00 H new ATOM 805 N HIS A 56 -9.503 -6.417 -0.082 1.00 0.00 N ATOM 806 CA HIS A 56 -8.631 -5.249 -0.138 1.00 0.00 C ATOM 807 C HIS A 56 -9.255 -4.070 0.601 1.00 0.00 C ATOM 808 O HIS A 56 -10.278 -3.529 0.180 1.00 0.00 O ATOM 809 CB HIS A 56 -8.350 -4.865 -1.591 1.00 0.00 C ATOM 810 CG HIS A 56 -7.924 -6.019 -2.445 1.00 0.00 C ATOM 811 ND1 HIS A 56 -8.800 -6.982 -2.900 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.706 -6.362 -2.927 1.00 0.00 C ATOM 813 CE1 HIS A 56 -8.139 -7.868 -3.624 1.00 0.00 C ATOM 814 NE2 HIS A 56 -6.867 -7.514 -3.656 1.00 0.00 N ATOM 0 H HIS A 56 -10.018 -6.600 -0.943 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.691 -5.504 0.350 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.247 -4.418 -2.020 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.572 -4.102 -1.612 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.780 -5.829 -2.768 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.566 -8.734 -4.107 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.124 -8.015 -4.143 1.00 0.00 H new ATOM 822 N LYS A 57 -8.633 -3.675 1.707 1.00 0.00 N ATOM 823 CA LYS A 57 -9.125 -2.559 2.506 1.00 0.00 C ATOM 824 C LYS A 57 -8.076 -1.457 2.607 1.00 0.00 C ATOM 825 O LYS A 57 -6.983 -1.674 3.131 1.00 0.00 O ATOM 826 CB LYS A 57 -9.513 -3.039 3.906 1.00 0.00 C ATOM 827 CG LYS A 57 -9.995 -1.926 4.820 1.00 0.00 C ATOM 828 CD LYS A 57 -10.651 -2.478 6.074 1.00 0.00 C ATOM 829 CE LYS A 57 -10.646 -1.457 7.201 1.00 0.00 C ATOM 830 NZ LYS A 57 -11.738 -0.456 7.048 1.00 0.00 N ATOM 0 H LYS A 57 -7.786 -4.112 2.071 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.007 -2.152 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.297 -3.791 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.653 -3.527 4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.153 -1.292 5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.705 -1.296 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.677 -2.770 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.126 -3.378 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.755 -1.970 8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.684 -0.945 7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.700 0.222 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.620 0.052 6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.658 -0.942 7.053 1.00 0.00 H new ATOM 844 N MET A 58 -8.415 -0.275 2.105 1.00 0.00 N ATOM 845 CA MET A 58 -7.502 0.862 2.142 1.00 0.00 C ATOM 846 C MET A 58 -7.820 1.776 3.321 1.00 0.00 C ATOM 847 O MET A 58 -8.980 2.114 3.563 1.00 0.00 O ATOM 848 CB MET A 58 -7.582 1.650 0.833 1.00 0.00 C ATOM 849 CG MET A 58 -6.665 1.116 -0.255 1.00 0.00 C ATOM 850 SD MET A 58 -7.265 1.490 -1.914 1.00 0.00 S ATOM 851 CE MET A 58 -7.434 -0.159 -2.592 1.00 0.00 C ATOM 0 H MET A 58 -9.315 -0.079 1.668 1.00 0.00 H new ATOM 0 HA MET A 58 -6.489 0.479 2.265 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.610 1.633 0.471 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.330 2.692 1.030 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.670 1.543 -0.128 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.566 0.036 -0.144 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.798 -0.095 -3.618 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.465 -0.658 -2.581 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.142 -0.729 -1.991 1.00 0.00 H new ATOM 861 N LEU A 59 -6.784 2.174 4.051 1.00 0.00 N ATOM 862 CA LEU A 59 -6.953 3.050 5.205 1.00 0.00 C ATOM 863 C LEU A 59 -6.477 4.465 4.890 1.00 0.00 C ATOM 864 O LEU A 59 -5.614 4.664 4.034 1.00 0.00 O ATOM 865 CB LEU A 59 -6.185 2.497 6.407 1.00 0.00 C ATOM 866 CG LEU A 59 -6.911 1.438 7.238 1.00 0.00 C ATOM 867 CD1 LEU A 59 -6.721 0.058 6.627 1.00 0.00 C ATOM 868 CD2 LEU A 59 -6.418 1.459 8.677 1.00 0.00 C ATOM 0 H LEU A 59 -5.818 1.904 3.864 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.015 3.090 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.248 2.070 6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.926 3.329 7.062 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.976 1.670 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.244 -0.683 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.124 0.050 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.659 -0.183 6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.946 0.699 9.253 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.348 1.253 8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.607 2.440 9.112 1.00 0.00 H new ATOM 880 N VAL A 60 -7.043 5.444 5.589 1.00 0.00 N ATOM 881 CA VAL A 60 -6.673 6.840 5.386 1.00 0.00 C ATOM 882 C VAL A 60 -6.572 7.580 6.715 1.00 0.00 C ATOM 883 O VAL A 60 -7.581 7.835 7.373 1.00 0.00 O ATOM 884 CB VAL A 60 -7.690 7.564 4.484 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.332 9.036 4.350 1.00 0.00 C ATOM 886 CG2 VAL A 60 -7.759 6.897 3.118 1.00 0.00 C ATOM 0 H VAL A 60 -7.759 5.296 6.300 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.699 6.842 4.897 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.674 7.495 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.062 9.531 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.338 9.503 5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.339 9.130 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.482 7.421 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.778 6.933 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.067 5.858 3.236 1.00 0.00 H new ATOM 896 N ARG A 61 -5.348 7.922 7.103 1.00 0.00 N ATOM 897 CA ARG A 61 -5.115 8.633 8.355 1.00 0.00 C ATOM 898 C ARG A 61 -5.211 10.142 8.149 1.00 0.00 C ATOM 899 O ARG A 61 -4.569 10.698 7.259 1.00 0.00 O ATOM 900 CB ARG A 61 -3.741 8.272 8.923 1.00 0.00 C ATOM 901 CG ARG A 61 -3.588 6.796 9.254 1.00 0.00 C ATOM 902 CD ARG A 61 -4.073 6.488 10.662 1.00 0.00 C ATOM 903 NE ARG A 61 -5.433 6.970 10.891 1.00 0.00 N ATOM 904 CZ ARG A 61 -6.516 6.368 10.412 1.00 0.00 C ATOM 905 NH1 ARG A 61 -6.399 5.267 9.683 1.00 0.00 N ATOM 906 NH2 ARG A 61 -7.719 6.868 10.664 1.00 0.00 N ATOM 0 H ARG A 61 -4.503 7.719 6.569 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.885 8.330 9.064 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.973 8.556 8.203 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.564 8.858 9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.151 6.201 8.536 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.542 6.507 9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.037 5.412 10.830 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.399 6.947 11.386 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.558 7.815 11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.476 4.880 9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.232 4.807 9.317 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.812 7.714 11.225 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.551 6.406 10.296 1.00 0.00 H new ATOM 920 N GLU A 62 -6.018 10.797 8.978 1.00 0.00 N ATOM 921 CA GLU A 62 -6.198 12.241 8.885 1.00 0.00 C ATOM 922 C GLU A 62 -4.862 12.943 8.662 1.00 0.00 C ATOM 923 O GLU A 62 -4.666 13.623 7.656 1.00 0.00 O ATOM 924 CB GLU A 62 -6.863 12.777 10.155 1.00 0.00 C ATOM 925 CG GLU A 62 -8.369 12.578 10.184 1.00 0.00 C ATOM 926 CD GLU A 62 -8.775 11.154 9.859 1.00 0.00 C ATOM 927 OE1 GLU A 62 -8.470 10.251 10.665 1.00 0.00 O ATOM 928 OE2 GLU A 62 -9.400 10.944 8.798 1.00 0.00 O ATOM 0 H GLU A 62 -6.557 10.351 9.721 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.843 12.447 8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.423 12.283 11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.644 13.841 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.748 12.844 11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.835 13.257 9.470 1.00 0.00 H new ATOM 935 N ASN A 63 -3.945 12.773 9.610 1.00 0.00 N ATOM 936 CA ASN A 63 -2.627 13.391 9.519 1.00 0.00 C ATOM 937 C ASN A 63 -2.046 13.228 8.117 1.00 0.00 C ATOM 938 O ASN A 63 -1.535 14.181 7.531 1.00 0.00 O ATOM 939 CB ASN A 63 -1.680 12.776 10.551 1.00 0.00 C ATOM 940 CG ASN A 63 -1.744 13.485 11.889 1.00 0.00 C ATOM 941 OD1 ASN A 63 -2.626 13.217 12.705 1.00 0.00 O ATOM 942 ND2 ASN A 63 -0.807 14.397 12.121 1.00 0.00 N ATOM 0 H ASN A 63 -4.091 12.212 10.450 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.737 14.455 9.726 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.930 11.724 10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.659 12.814 10.171 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.800 14.907 13.004 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.095 14.587 11.416 1.00 0.00 H new ATOM 949 N GLY A 64 -2.129 12.012 7.586 1.00 0.00 N ATOM 950 CA GLY A 64 -1.608 11.746 6.258 1.00 0.00 C ATOM 951 C GLY A 64 -0.808 10.460 6.196 1.00 0.00 C ATOM 952 O GLY A 64 0.405 10.484 5.987 1.00 0.00 O ATOM 0 H GLY A 64 -2.548 11.207 8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.436 11.690 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.977 12.578 5.945 1.00 0.00 H new ATOM 956 N VAL A 65 -1.487 9.332 6.380 1.00 0.00 N ATOM 957 CA VAL A 65 -0.832 8.030 6.344 1.00 0.00 C ATOM 958 C VAL A 65 -1.786 6.948 5.851 1.00 0.00 C ATOM 959 O VAL A 65 -2.780 6.636 6.507 1.00 0.00 O ATOM 960 CB VAL A 65 -0.297 7.633 7.733 1.00 0.00 C ATOM 961 CG1 VAL A 65 -0.006 6.141 7.787 1.00 0.00 C ATOM 962 CG2 VAL A 65 0.946 8.440 8.075 1.00 0.00 C ATOM 0 H VAL A 65 -2.491 9.294 6.556 1.00 0.00 H new ATOM 0 HA VAL A 65 0.005 8.116 5.651 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.063 7.856 8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.371 5.879 8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.922 5.584 7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.742 5.889 7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.311 8.147 9.059 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.719 8.250 7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.700 9.502 8.081 1.00 0.00 H new ATOM 972 N HIS A 66 -1.477 6.379 4.690 1.00 0.00 N ATOM 973 CA HIS A 66 -2.306 5.330 4.108 1.00 0.00 C ATOM 974 C HIS A 66 -1.754 3.949 4.448 1.00 0.00 C ATOM 975 O HIS A 66 -0.577 3.805 4.779 1.00 0.00 O ATOM 976 CB HIS A 66 -2.390 5.499 2.591 1.00 0.00 C ATOM 977 CG HIS A 66 -3.434 6.480 2.155 1.00 0.00 C ATOM 978 ND1 HIS A 66 -3.622 7.702 2.766 1.00 0.00 N ATOM 979 CD2 HIS A 66 -4.350 6.414 1.160 1.00 0.00 C ATOM 980 CE1 HIS A 66 -4.608 8.344 2.167 1.00 0.00 C ATOM 981 NE2 HIS A 66 -5.067 7.585 1.188 1.00 0.00 N ATOM 0 H HIS A 66 -0.659 6.627 4.134 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.307 5.416 4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.419 5.823 2.215 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.601 4.531 2.137 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.491 5.593 0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.977 9.324 2.432 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.830 7.829 0.556 1.00 0.00 H new ATOM 989 N SER A 67 -2.611 2.937 4.365 1.00 0.00 N ATOM 990 CA SER A 67 -2.210 1.568 4.668 1.00 0.00 C ATOM 991 C SER A 67 -3.062 0.568 3.893 1.00 0.00 C ATOM 992 O SER A 67 -4.274 0.481 4.093 1.00 0.00 O ATOM 993 CB SER A 67 -2.328 1.300 6.170 1.00 0.00 C ATOM 994 OG SER A 67 -1.450 2.133 6.907 1.00 0.00 O ATOM 0 H SER A 67 -3.588 3.039 4.090 1.00 0.00 H new ATOM 0 HA SER A 67 -1.170 1.445 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.355 1.472 6.494 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.100 0.254 6.375 1.00 0.00 H new ATOM 0 HG SER A 67 -1.546 1.944 7.864 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.420 -0.186 3.008 1.00 0.00 N ATOM 1001 CA LEU A 68 -3.117 -1.182 2.201 1.00 0.00 C ATOM 1002 C LEU A 68 -3.191 -2.519 2.931 1.00 0.00 C ATOM 1003 O LEU A 68 -2.194 -3.232 3.043 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.413 -1.360 0.855 1.00 0.00 C ATOM 1005 CG LEU A 68 -3.076 -2.328 -0.126 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.429 -1.795 -0.569 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.175 -2.569 -1.328 1.00 0.00 C ATOM 0 H LEU A 68 -1.417 -0.127 2.831 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.133 -0.827 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.336 -0.384 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.396 -1.704 1.042 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.233 -3.280 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.886 -2.497 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.075 -1.675 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.297 -0.830 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.663 -3.260 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.986 -1.624 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.229 -2.996 -0.994 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.379 -2.853 3.424 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.583 -4.106 4.140 1.00 0.00 C ATOM 1021 C ILE A 69 -5.273 -5.139 3.255 1.00 0.00 C ATOM 1022 O ILE A 69 -6.406 -4.937 2.816 1.00 0.00 O ATOM 1023 CB ILE A 69 -5.422 -3.897 5.414 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.716 -2.924 6.361 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.676 -5.227 6.106 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -5.358 -2.838 7.728 1.00 0.00 C ATOM 0 H ILE A 69 -5.214 -2.274 3.341 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.596 -4.472 4.421 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.383 -3.468 5.132 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.676 -3.231 6.475 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.708 -1.932 5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.270 -5.062 7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.216 -5.891 5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.724 -5.683 6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.805 -2.130 8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.390 -2.501 7.625 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.342 -3.821 8.200 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.584 -6.245 2.998 1.00 0.00 N ATOM 1039 CA ILE A 70 -5.132 -7.311 2.168 1.00 0.00 C ATOM 1040 C ILE A 70 -5.296 -8.600 2.965 1.00 0.00 C ATOM 1041 O ILE A 70 -4.330 -9.125 3.519 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.239 -7.587 0.944 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -3.909 -6.280 0.221 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.923 -8.563 -0.001 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.705 -6.380 -0.689 1.00 0.00 C ATOM 0 H ILE A 70 -3.645 -6.427 3.352 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.110 -6.972 1.825 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.307 -8.036 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.774 -5.971 -0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.731 -5.500 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.280 -8.748 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.112 -9.502 0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.869 -8.139 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.530 -5.417 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.829 -6.659 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.887 -7.137 -1.452 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.524 -9.106 3.018 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.813 -10.335 3.747 1.00 0.00 C ATOM 1059 C GLU A 71 -8.177 -10.893 3.354 1.00 0.00 C ATOM 1060 O GLU A 71 -9.203 -10.219 3.448 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.769 -10.082 5.256 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.440 -11.321 6.072 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.471 -12.420 5.906 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.667 -12.094 5.758 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.081 -13.606 5.924 1.00 0.00 O ATOM 0 H GLU A 71 -7.334 -8.684 2.565 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.051 -11.069 3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.027 -9.312 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.734 -9.691 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.462 -11.698 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.370 -11.050 7.125 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.192 -12.156 2.901 1.00 0.00 N ATOM 1073 CA PRO A 72 -6.977 -12.968 2.784 1.00 0.00 C ATOM 1074 C PRO A 72 -6.056 -12.476 1.673 1.00 0.00 C ATOM 1075 O PRO A 72 -6.352 -11.491 0.997 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.514 -14.363 2.454 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.835 -14.118 1.811 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.394 -12.887 2.468 1.00 0.00 C ATOM 0 HA PRO A 72 -6.373 -12.932 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.841 -14.898 1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.618 -14.970 3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.725 -13.971 0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.500 -14.970 1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.994 -12.298 1.774 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.037 -13.138 3.311 1.00 0.00 H new ATOM 1086 N VAL A 73 -4.936 -13.169 1.488 1.00 0.00 N ATOM 1087 CA VAL A 73 -3.972 -12.803 0.458 1.00 0.00 C ATOM 1088 C VAL A 73 -3.950 -13.834 -0.665 1.00 0.00 C ATOM 1089 O VAL A 73 -3.916 -15.040 -0.417 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.553 -12.665 1.041 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.514 -12.696 -0.070 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.435 -11.388 1.858 1.00 0.00 C ATOM 0 H VAL A 73 -4.675 -13.987 2.039 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.287 -11.840 0.057 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.367 -13.511 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.518 -12.597 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.585 -13.641 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.694 -11.872 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.426 -11.307 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.641 -10.528 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.153 -11.413 2.677 1.00 0.00 H new ATOM 1102 N THR A 74 -3.969 -13.352 -1.904 1.00 0.00 N ATOM 1103 CA THR A 74 -3.952 -14.231 -3.067 1.00 0.00 C ATOM 1104 C THR A 74 -2.706 -13.999 -3.913 1.00 0.00 C ATOM 1105 O THR A 74 -1.992 -13.014 -3.727 1.00 0.00 O ATOM 1106 CB THR A 74 -5.201 -14.024 -3.945 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.333 -12.641 -4.292 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.455 -14.493 -3.222 1.00 0.00 C ATOM 0 H THR A 74 -3.996 -12.357 -2.128 1.00 0.00 H new ATOM 0 HA THR A 74 -3.947 -15.254 -2.691 1.00 0.00 H new ATOM 0 HB THR A 74 -5.082 -14.616 -4.853 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.128 -12.519 -4.851 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.324 -14.337 -3.862 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.364 -15.553 -2.986 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.577 -13.925 -2.300 1.00 0.00 H new ATOM 1116 N SER A 75 -2.450 -14.913 -4.844 1.00 0.00 N ATOM 1117 CA SER A 75 -1.287 -14.809 -5.717 1.00 0.00 C ATOM 1118 C SER A 75 -1.396 -13.588 -6.624 1.00 0.00 C ATOM 1119 O SER A 75 -0.436 -13.214 -7.298 1.00 0.00 O ATOM 1120 CB SER A 75 -1.144 -16.076 -6.563 1.00 0.00 C ATOM 1121 OG SER A 75 -0.805 -17.192 -5.758 1.00 0.00 O ATOM 0 H SER A 75 -3.032 -15.733 -5.013 1.00 0.00 H new ATOM 0 HA SER A 75 -0.402 -14.696 -5.091 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.078 -16.273 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.377 -15.925 -7.322 1.00 0.00 H new ATOM 0 HG SER A 75 -0.721 -17.989 -6.322 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.573 -12.970 -6.636 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.809 -11.792 -7.461 1.00 0.00 C ATOM 1129 C ARG A 76 -2.363 -10.524 -6.739 1.00 0.00 C ATOM 1130 O ARG A 76 -2.224 -9.465 -7.351 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.291 -11.688 -7.827 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.573 -10.708 -8.954 1.00 0.00 C ATOM 1133 CD ARG A 76 -6.002 -10.191 -8.898 1.00 0.00 C ATOM 1134 NE ARG A 76 -6.179 -9.182 -7.856 1.00 0.00 N ATOM 1135 CZ ARG A 76 -7.355 -8.654 -7.537 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -8.453 -9.037 -8.174 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -7.435 -7.741 -6.577 1.00 0.00 N ATOM 0 H ARG A 76 -3.378 -13.266 -6.083 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.222 -11.896 -8.374 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.655 -12.674 -8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.854 -11.385 -6.944 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.879 -9.870 -8.891 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.398 -11.195 -9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.271 -9.765 -9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.682 -11.023 -8.716 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.354 -8.866 -7.346 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.396 -9.739 -8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.355 -8.629 -7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.593 -7.444 -6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.339 -7.336 -6.333 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.140 -10.640 -5.434 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.708 -9.504 -4.628 1.00 0.00 C ATOM 1153 C ASP A 77 -0.230 -9.206 -4.857 1.00 0.00 C ATOM 1154 O ASP A 77 0.219 -8.072 -4.687 1.00 0.00 O ATOM 1155 CB ASP A 77 -1.962 -9.778 -3.145 1.00 0.00 C ATOM 1156 CG ASP A 77 -3.392 -9.483 -2.739 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -3.902 -8.402 -3.103 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -4.002 -10.332 -2.056 1.00 0.00 O ATOM 0 H ASP A 77 -2.251 -11.509 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.287 -8.632 -4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.733 -10.821 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.284 -9.171 -2.545 1.00 0.00 H new ATOM 1163 N ALA A 78 0.523 -10.231 -5.243 1.00 0.00 N ATOM 1164 CA ALA A 78 1.950 -10.078 -5.497 1.00 0.00 C ATOM 1165 C ALA A 78 2.199 -9.349 -6.812 1.00 0.00 C ATOM 1166 O ALA A 78 1.899 -9.867 -7.887 1.00 0.00 O ATOM 1167 CB ALA A 78 2.633 -11.438 -5.507 1.00 0.00 C ATOM 0 H ALA A 78 0.168 -11.176 -5.387 1.00 0.00 H new ATOM 0 HA ALA A 78 2.374 -9.476 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.698 -11.309 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.494 -11.922 -4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.197 -12.058 -6.290 1.00 0.00 H new ATOM 1173 N GLY A 79 2.751 -8.143 -6.720 1.00 0.00 N ATOM 1174 CA GLY A 79 3.030 -7.361 -7.911 1.00 0.00 C ATOM 1175 C GLY A 79 3.831 -6.110 -7.609 1.00 0.00 C ATOM 1176 O GLY A 79 4.565 -6.059 -6.622 1.00 0.00 O ATOM 0 H GLY A 79 3.010 -7.693 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.578 -7.976 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.090 -7.081 -8.386 1.00 0.00 H new ATOM 1180 N ILE A 80 3.691 -5.100 -8.460 1.00 0.00 N ATOM 1181 CA ILE A 80 4.408 -3.844 -8.280 1.00 0.00 C ATOM 1182 C ILE A 80 3.454 -2.716 -7.901 1.00 0.00 C ATOM 1183 O ILE A 80 2.839 -2.093 -8.767 1.00 0.00 O ATOM 1184 CB ILE A 80 5.177 -3.446 -9.553 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.266 -4.475 -9.860 1.00 0.00 C ATOM 1186 CG2 ILE A 80 5.780 -2.059 -9.396 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.318 -4.583 -8.778 1.00 0.00 C ATOM 0 H ILE A 80 3.087 -5.127 -9.282 1.00 0.00 H new ATOM 0 HA ILE A 80 5.121 -4.001 -7.470 1.00 0.00 H new ATOM 0 HB ILE A 80 4.478 -3.424 -10.389 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.802 -5.451 -10.003 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.750 -4.211 -10.800 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.320 -1.792 -10.304 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.985 -1.334 -9.221 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.468 -2.055 -8.550 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.058 -5.331 -9.063 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.809 -3.618 -8.650 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.847 -4.878 -7.840 1.00 0.00 H new ATOM 1199 N TYR A 81 3.337 -2.458 -6.604 1.00 0.00 N ATOM 1200 CA TYR A 81 2.457 -1.405 -6.110 1.00 0.00 C ATOM 1201 C TYR A 81 3.085 -0.030 -6.316 1.00 0.00 C ATOM 1202 O TYR A 81 4.125 0.284 -5.737 1.00 0.00 O ATOM 1203 CB TYR A 81 2.150 -1.621 -4.628 1.00 0.00 C ATOM 1204 CG TYR A 81 1.234 -2.795 -4.364 1.00 0.00 C ATOM 1205 CD1 TYR A 81 1.745 -4.077 -4.199 1.00 0.00 C ATOM 1206 CD2 TYR A 81 -0.142 -2.623 -4.278 1.00 0.00 C ATOM 1207 CE1 TYR A 81 0.912 -5.152 -3.959 1.00 0.00 C ATOM 1208 CE2 TYR A 81 -0.982 -3.692 -4.037 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.451 -4.955 -3.878 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.284 -6.023 -3.638 1.00 0.00 O ATOM 0 H TYR A 81 3.840 -2.963 -5.875 1.00 0.00 H new ATOM 0 HA TYR A 81 1.527 -1.448 -6.676 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.086 -1.773 -4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.694 -0.717 -4.225 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.812 -4.235 -4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.562 -1.636 -4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.326 -6.142 -3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.049 -3.540 -3.973 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.866 -6.845 -3.970 1.00 0.00 H new ATOM 1220 N THR A 82 2.444 0.788 -7.146 1.00 0.00 N ATOM 1221 CA THR A 82 2.939 2.129 -7.429 1.00 0.00 C ATOM 1222 C THR A 82 1.961 3.191 -6.938 1.00 0.00 C ATOM 1223 O THR A 82 0.828 3.273 -7.415 1.00 0.00 O ATOM 1224 CB THR A 82 3.182 2.331 -8.937 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.026 1.289 -9.441 1.00 0.00 O ATOM 1226 CG2 THR A 82 3.824 3.684 -9.205 1.00 0.00 C ATOM 0 H THR A 82 1.582 0.545 -7.633 1.00 0.00 H new ATOM 0 HA THR A 82 3.885 2.236 -6.898 1.00 0.00 H new ATOM 0 HB THR A 82 2.219 2.296 -9.446 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.174 1.423 -10.400 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.986 3.804 -10.276 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.167 4.476 -8.846 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.780 3.743 -8.685 1.00 0.00 H new ATOM 1234 N CYS A 83 2.405 4.000 -5.983 1.00 0.00 N ATOM 1235 CA CYS A 83 1.568 5.058 -5.427 1.00 0.00 C ATOM 1236 C CYS A 83 2.067 6.432 -5.863 1.00 0.00 C ATOM 1237 O CYS A 83 3.242 6.758 -5.695 1.00 0.00 O ATOM 1238 CB CYS A 83 1.548 4.970 -3.900 1.00 0.00 C ATOM 1239 SG CYS A 83 0.255 3.892 -3.240 1.00 0.00 S ATOM 0 H CYS A 83 3.339 3.944 -5.577 1.00 0.00 H new ATOM 0 HA CYS A 83 0.555 4.923 -5.805 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.517 4.610 -3.555 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.415 5.971 -3.491 1.00 0.00 H new ATOM 0 HG CYS A 83 0.758 2.723 -2.976 1.00 0.00 H new ATOM 1245 N ILE A 84 1.166 7.231 -6.425 1.00 0.00 N ATOM 1246 CA ILE A 84 1.515 8.569 -6.885 1.00 0.00 C ATOM 1247 C ILE A 84 0.778 9.636 -6.083 1.00 0.00 C ATOM 1248 O ILE A 84 -0.381 9.944 -6.359 1.00 0.00 O ATOM 1249 CB ILE A 84 1.192 8.752 -8.380 1.00 0.00 C ATOM 1250 CG1 ILE A 84 2.067 7.828 -9.230 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.390 10.204 -8.791 1.00 0.00 C ATOM 1252 CD1 ILE A 84 1.411 7.394 -10.521 1.00 0.00 C ATOM 0 H ILE A 84 0.190 6.975 -6.573 1.00 0.00 H new ATOM 0 HA ILE A 84 2.589 8.684 -6.737 1.00 0.00 H new ATOM 0 HB ILE A 84 0.148 8.487 -8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.002 8.338 -9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.322 6.944 -8.646 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.158 10.317 -9.850 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.729 10.842 -8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.425 10.494 -8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.088 6.741 -11.072 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.490 6.856 -10.298 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.181 8.272 -11.125 1.00 0.00 H new ATOM 1264 N ALA A 85 1.459 10.198 -5.090 1.00 0.00 N ATOM 1265 CA ALA A 85 0.870 11.234 -4.250 1.00 0.00 C ATOM 1266 C ALA A 85 1.118 12.621 -4.834 1.00 0.00 C ATOM 1267 O ALA A 85 2.235 13.137 -4.782 1.00 0.00 O ATOM 1268 CB ALA A 85 1.426 11.147 -2.837 1.00 0.00 C ATOM 0 H ALA A 85 2.419 9.953 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.207 11.070 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.978 11.926 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.192 10.170 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.507 11.282 -2.863 1.00 0.00 H new ATOM 1274 N THR A 86 0.070 13.220 -5.390 1.00 0.00 N ATOM 1275 CA THR A 86 0.175 14.547 -5.985 1.00 0.00 C ATOM 1276 C THR A 86 -0.530 15.591 -5.127 1.00 0.00 C ATOM 1277 O THR A 86 -1.758 15.633 -5.067 1.00 0.00 O ATOM 1278 CB THR A 86 -0.425 14.575 -7.403 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.016 13.411 -8.131 1.00 0.00 O ATOM 1280 CG2 THR A 86 0.012 15.826 -8.150 1.00 0.00 C ATOM 0 H THR A 86 -0.861 12.807 -5.441 1.00 0.00 H new ATOM 0 HA THR A 86 1.237 14.785 -6.043 1.00 0.00 H new ATOM 0 HB THR A 86 -1.511 14.584 -7.314 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.403 13.435 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.424 15.824 -9.149 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.326 16.710 -7.608 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.099 15.842 -8.228 1.00 0.00 H new ATOM 1288 N ASN A 87 0.256 16.434 -4.465 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.294 17.480 -3.610 1.00 0.00 C ATOM 1290 C ASN A 87 -0.171 18.848 -4.275 1.00 0.00 C ATOM 1291 O ASN A 87 0.494 18.992 -5.301 1.00 0.00 O ATOM 1292 CB ASN A 87 0.424 17.492 -2.258 1.00 0.00 C ATOM 1293 CG ASN A 87 -0.126 18.551 -1.322 1.00 0.00 C ATOM 1294 OD1 ASN A 87 -1.331 18.797 -1.284 1.00 0.00 O ATOM 1295 ND2 ASN A 87 0.759 19.184 -0.560 1.00 0.00 N ATOM 0 H ASN A 87 1.275 16.413 -4.504 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.351 17.266 -3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.329 16.512 -1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.488 17.668 -2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.448 19.906 0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.749 18.948 -0.624 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.817 19.847 -3.684 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.781 21.203 -4.220 1.00 0.00 C ATOM 1304 C ARG A 88 0.655 21.644 -4.488 1.00 0.00 C ATOM 1305 O ARG A 88 0.930 22.334 -5.468 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.452 22.176 -3.249 1.00 0.00 C ATOM 1307 CG ARG A 88 -2.939 21.924 -3.064 1.00 0.00 C ATOM 1308 CD ARG A 88 -3.759 22.611 -4.145 1.00 0.00 C ATOM 1309 NE ARG A 88 -5.164 22.738 -3.768 1.00 0.00 N ATOM 1310 CZ ARG A 88 -6.138 22.988 -4.636 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -5.861 23.136 -5.924 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -7.393 23.090 -4.217 1.00 0.00 N ATOM 0 H ARG A 88 -1.372 19.744 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.326 21.208 -5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.957 22.108 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.307 23.194 -3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.133 20.852 -3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.251 22.285 -2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.345 23.600 -4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.682 22.045 -5.073 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.411 22.629 -2.784 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.898 23.058 -6.251 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.611 23.328 -6.588 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.611 22.976 -3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.140 23.282 -4.885 1.00 0.00 H new ATOM 1326 N ALA A 89 1.566 21.240 -3.608 1.00 0.00 N ATOM 1327 CA ALA A 89 2.974 21.592 -3.751 1.00 0.00 C ATOM 1328 C ALA A 89 3.605 20.864 -4.933 1.00 0.00 C ATOM 1329 O ALA A 89 4.098 21.491 -5.869 1.00 0.00 O ATOM 1330 CB ALA A 89 3.729 21.275 -2.468 1.00 0.00 C ATOM 0 H ALA A 89 1.354 20.669 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 89 3.038 22.663 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.779 21.542 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.301 21.846 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.648 20.210 -2.252 1.00 0.00 H new ATOM 1336 N GLY A 90 3.586 19.535 -4.882 1.00 0.00 N ATOM 1337 CA GLY A 90 4.161 18.744 -5.954 1.00 0.00 C ATOM 1338 C GLY A 90 3.605 17.334 -5.997 1.00 0.00 C ATOM 1339 O GLY A 90 2.452 17.104 -5.633 1.00 0.00 O ATOM 0 H GLY A 90 3.183 18.993 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.969 19.236 -6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.243 18.701 -5.829 1.00 0.00 H new ATOM 1343 N GLN A 91 4.426 16.389 -6.443 1.00 0.00 N ATOM 1344 CA GLN A 91 4.008 14.995 -6.534 1.00 0.00 C ATOM 1345 C GLN A 91 5.215 14.072 -6.660 1.00 0.00 C ATOM 1346 O GLN A 91 6.255 14.464 -7.188 1.00 0.00 O ATOM 1347 CB GLN A 91 3.073 14.798 -7.728 1.00 0.00 C ATOM 1348 CG GLN A 91 3.796 14.741 -9.064 1.00 0.00 C ATOM 1349 CD GLN A 91 2.951 15.266 -10.208 1.00 0.00 C ATOM 1350 OE1 GLN A 91 3.142 16.391 -10.670 1.00 0.00 O ATOM 1351 NE2 GLN A 91 2.009 14.453 -10.671 1.00 0.00 N ATOM 0 H GLN A 91 5.384 16.563 -6.747 1.00 0.00 H new ATOM 0 HA GLN A 91 3.474 14.741 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.510 13.875 -7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.349 15.613 -7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.716 15.322 -9.000 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.084 13.711 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.885 13.528 -10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.409 14.753 -11.439 1.00 0.00 H new ATOM 1360 N ASN A 92 5.069 12.844 -6.172 1.00 0.00 N ATOM 1361 CA ASN A 92 6.148 11.865 -6.230 1.00 0.00 C ATOM 1362 C ASN A 92 5.606 10.477 -6.556 1.00 0.00 C ATOM 1363 O ASN A 92 4.394 10.272 -6.621 1.00 0.00 O ATOM 1364 CB ASN A 92 6.906 11.831 -4.901 1.00 0.00 C ATOM 1365 CG ASN A 92 8.353 11.413 -5.071 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.752 10.935 -6.134 1.00 0.00 O ATOM 1367 ND2 ASN A 92 9.147 11.590 -4.022 1.00 0.00 N ATOM 0 H ASN A 92 4.214 12.504 -5.732 1.00 0.00 H new ATOM 0 HA ASN A 92 6.833 12.163 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.868 12.817 -4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.409 11.140 -4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 92 10.131 11.326 -4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.773 11.990 -3.161 1.00 0.00 H new ATOM 1374 N SER A 93 6.513 9.526 -6.758 1.00 0.00 N ATOM 1375 CA SER A 93 6.127 8.157 -7.080 1.00 0.00 C ATOM 1376 C SER A 93 7.139 7.161 -6.521 1.00 0.00 C ATOM 1377 O SER A 93 8.338 7.436 -6.480 1.00 0.00 O ATOM 1378 CB SER A 93 6.004 7.982 -8.594 1.00 0.00 C ATOM 1379 OG SER A 93 7.184 8.405 -9.254 1.00 0.00 O ATOM 0 H SER A 93 7.520 9.679 -6.704 1.00 0.00 H new ATOM 0 HA SER A 93 5.159 7.961 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.808 6.935 -8.827 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.153 8.555 -8.961 1.00 0.00 H new ATOM 0 HG SER A 93 7.080 8.281 -10.221 1.00 0.00 H new ATOM 1385 N PHE A 94 6.646 6.004 -6.093 1.00 0.00 N ATOM 1386 CA PHE A 94 7.506 4.966 -5.536 1.00 0.00 C ATOM 1387 C PHE A 94 6.950 3.578 -5.839 1.00 0.00 C ATOM 1388 O PHE A 94 5.748 3.340 -5.721 1.00 0.00 O ATOM 1389 CB PHE A 94 7.651 5.151 -4.024 1.00 0.00 C ATOM 1390 CG PHE A 94 6.592 4.443 -3.229 1.00 0.00 C ATOM 1391 CD1 PHE A 94 6.707 3.091 -2.948 1.00 0.00 C ATOM 1392 CD2 PHE A 94 5.482 5.128 -2.763 1.00 0.00 C ATOM 1393 CE1 PHE A 94 5.733 2.436 -2.218 1.00 0.00 C ATOM 1394 CE2 PHE A 94 4.505 4.479 -2.032 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.632 3.131 -1.758 1.00 0.00 C ATOM 0 H PHE A 94 5.656 5.761 -6.121 1.00 0.00 H new ATOM 0 HA PHE A 94 8.488 5.054 -6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.631 4.787 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.618 6.215 -3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.567 2.543 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.379 6.182 -2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.833 1.381 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.644 5.025 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.871 2.622 -1.185 1.00 0.00 H new ATOM 1405 N SER A 95 7.834 2.666 -6.231 1.00 0.00 N ATOM 1406 CA SER A 95 7.432 1.302 -6.555 1.00 0.00 C ATOM 1407 C SER A 95 7.978 0.316 -5.528 1.00 0.00 C ATOM 1408 O SER A 95 8.928 0.617 -4.804 1.00 0.00 O ATOM 1409 CB SER A 95 7.921 0.923 -7.954 1.00 0.00 C ATOM 1410 OG SER A 95 9.322 1.107 -8.072 1.00 0.00 O ATOM 0 H SER A 95 8.833 2.847 -6.332 1.00 0.00 H new ATOM 0 HA SER A 95 6.343 1.255 -6.533 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.669 -0.117 -8.161 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.407 1.530 -8.699 1.00 0.00 H new ATOM 0 HG SER A 95 9.610 0.856 -8.975 1.00 0.00 H new ATOM 1416 N LEU A 96 7.371 -0.865 -5.469 1.00 0.00 N ATOM 1417 CA LEU A 96 7.795 -1.898 -4.531 1.00 0.00 C ATOM 1418 C LEU A 96 7.413 -3.284 -5.038 1.00 0.00 C ATOM 1419 O LEU A 96 6.515 -3.426 -5.867 1.00 0.00 O ATOM 1420 CB LEU A 96 7.169 -1.654 -3.157 1.00 0.00 C ATOM 1421 CG LEU A 96 5.794 -2.283 -2.925 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.928 -3.773 -2.651 1.00 0.00 C ATOM 1423 CD2 LEU A 96 5.078 -1.589 -1.775 1.00 0.00 C ATOM 0 H LEU A 96 6.583 -1.130 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 96 8.880 -1.851 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.852 -2.032 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.085 -0.578 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 96 5.199 -2.153 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.940 -4.203 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.399 -4.259 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.541 -3.926 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.102 -2.049 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.670 -1.687 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.949 -0.533 -2.011 1.00 0.00 H new ATOM 1435 N GLU A 97 8.100 -4.304 -4.532 1.00 0.00 N ATOM 1436 CA GLU A 97 7.831 -5.680 -4.934 1.00 0.00 C ATOM 1437 C GLU A 97 7.325 -6.502 -3.752 1.00 0.00 C ATOM 1438 O GLU A 97 7.777 -6.326 -2.620 1.00 0.00 O ATOM 1439 CB GLU A 97 9.093 -6.322 -5.513 1.00 0.00 C ATOM 1440 CG GLU A 97 8.901 -7.767 -5.939 1.00 0.00 C ATOM 1441 CD GLU A 97 8.396 -7.893 -7.363 1.00 0.00 C ATOM 1442 OE1 GLU A 97 9.208 -7.729 -8.298 1.00 0.00 O ATOM 1443 OE2 GLU A 97 7.189 -8.157 -7.543 1.00 0.00 O ATOM 0 H GLU A 97 8.846 -4.203 -3.844 1.00 0.00 H new ATOM 0 HA GLU A 97 7.057 -5.663 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.425 -5.740 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.889 -6.274 -4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.848 -8.298 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.196 -8.250 -5.263 1.00 0.00 H new ATOM 1450 N LEU A 98 6.385 -7.400 -4.024 1.00 0.00 N ATOM 1451 CA LEU A 98 5.816 -8.251 -2.984 1.00 0.00 C ATOM 1452 C LEU A 98 5.837 -9.716 -3.407 1.00 0.00 C ATOM 1453 O LEU A 98 5.253 -10.089 -4.424 1.00 0.00 O ATOM 1454 CB LEU A 98 4.382 -7.819 -2.673 1.00 0.00 C ATOM 1455 CG LEU A 98 3.493 -8.872 -2.009 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.804 -8.973 -0.524 1.00 0.00 C ATOM 1457 CD2 LEU A 98 2.023 -8.543 -2.227 1.00 0.00 C ATOM 0 H LEU A 98 6.000 -7.558 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 98 6.425 -8.143 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.420 -6.943 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.908 -7.507 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 98 3.701 -9.838 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.162 -9.727 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.848 -9.256 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.625 -8.009 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.405 -9.303 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.800 -7.568 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.809 -8.523 -3.296 1.00 0.00 H new ATOM 1469 N VAL A 99 6.514 -10.545 -2.618 1.00 0.00 N ATOM 1470 CA VAL A 99 6.609 -11.970 -2.908 1.00 0.00 C ATOM 1471 C VAL A 99 5.543 -12.757 -2.154 1.00 0.00 C ATOM 1472 O VAL A 99 5.211 -12.437 -1.012 1.00 0.00 O ATOM 1473 CB VAL A 99 7.998 -12.526 -2.541 1.00 0.00 C ATOM 1474 CG1 VAL A 99 8.053 -14.027 -2.781 1.00 0.00 C ATOM 1475 CG2 VAL A 99 9.084 -11.812 -3.331 1.00 0.00 C ATOM 0 H VAL A 99 7.005 -10.253 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 99 6.451 -12.086 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 99 8.173 -12.345 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.042 -14.402 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.301 -14.522 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.856 -14.235 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.058 -12.218 -3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.915 -11.959 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.058 -10.746 -3.104 1.00 0.00 H new ATOM 1485 N VAL A 100 5.010 -13.789 -2.799 1.00 0.00 N ATOM 1486 CA VAL A 100 3.982 -14.624 -2.189 1.00 0.00 C ATOM 1487 C VAL A 100 4.289 -16.105 -2.385 1.00 0.00 C ATOM 1488 O VAL A 100 4.695 -16.527 -3.467 1.00 0.00 O ATOM 1489 CB VAL A 100 2.590 -14.318 -2.774 1.00 0.00 C ATOM 1490 CG1 VAL A 100 2.652 -14.249 -4.292 1.00 0.00 C ATOM 1491 CG2 VAL A 100 1.581 -15.361 -2.319 1.00 0.00 C ATOM 0 H VAL A 100 5.273 -14.067 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 100 3.979 -14.394 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 100 2.265 -13.346 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.660 -14.032 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.343 -13.461 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.998 -15.205 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.603 -15.130 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.899 -16.347 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.517 -15.355 -1.231 1.00 0.00 H new ATOM 1501 N ALA A 101 4.091 -16.889 -1.330 1.00 0.00 N ATOM 1502 CA ALA A 101 4.344 -18.323 -1.387 1.00 0.00 C ATOM 1503 C ALA A 101 3.042 -19.114 -1.308 1.00 0.00 C ATOM 1504 O ALA A 101 2.265 -18.955 -0.368 1.00 0.00 O ATOM 1505 CB ALA A 101 5.284 -18.738 -0.265 1.00 0.00 C ATOM 0 H ALA A 101 3.756 -16.555 -0.426 1.00 0.00 H new ATOM 0 HA ALA A 101 4.817 -18.546 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.464 -19.812 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.230 -18.206 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.832 -18.494 0.697 1.00 0.00 H new ATOM 1511 N ALA A 102 2.811 -19.965 -2.302 1.00 0.00 N ATOM 1512 CA ALA A 102 1.604 -20.781 -2.344 1.00 0.00 C ATOM 1513 C ALA A 102 1.447 -21.595 -1.065 1.00 0.00 C ATOM 1514 O ALA A 102 2.433 -21.969 -0.429 1.00 0.00 O ATOM 1515 CB ALA A 102 1.630 -21.699 -3.557 1.00 0.00 C ATOM 0 H ALA A 102 3.444 -20.107 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 102 0.746 -20.113 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.723 -22.303 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.686 -21.100 -4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.500 -22.353 -3.500 1.00 0.00 H new