USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 548 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 49 GLN : amide:sc= 0.806 K(o=2.9,f=-0.00074) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.945 K(o=2.9,f=-0.00074!) USER MOD Set 1.3: A 61 HIS : no HE2:sc= 1.19 K(o=2.9,f=-2.6!) USER MOD Set 2.1: A 39 HIS : no HE2:sc= -1.07! C(o=-0.91!,f=-6.3!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.158 K(o=-0.91,f=-5.4!) USER MOD Set 3.1: A 14 LYS NZ :NH3+ -173:sc= 0.0873! (180deg=-1.51!) USER MOD Set 3.2: A 15 HIS : no HE2:sc= 1.24 K(o=1.3,f=-12!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 133:sc= 1.23 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0684 USER MOD Single : A 13 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.014) USER MOD Single : A 16 ASN : amide:sc= -0.221 K(o=-0.22,f=-2!) USER MOD Single : A 20 SER OG : rot 29:sc= 0.0375 USER MOD Single : A 21 THR OG1 : rot -140:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 0.721 K(o=0.72,f=-5!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 0.923 (180deg=0.771) USER MOD Single : A 30 TYR OH : rot 15:sc= 0 USER MOD Single : A 33 THR OG1 : rot 86:sc= 2.14 USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0.805 (180deg=-0.555!) USER MOD Single : A 55 THR OG1 : rot 54:sc= 0.684 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00304 USER MOD Single : A 65 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 71 SER OG : rot 81:sc= 0.081 USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= 0.615 (180deg=-3.02!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -7.273 12.940 -0.756 1.00 10.00 N ATOM 52 CA TYR A 6 -8.243 11.876 -0.811 1.00 10.00 C ATOM 53 C TYR A 6 -8.470 11.314 -2.216 1.00 10.00 C ATOM 54 O TYR A 6 -8.399 11.979 -3.253 1.00 10.00 O ATOM 55 CB TYR A 6 -9.556 12.147 -0.058 1.00 10.00 C ATOM 56 CG TYR A 6 -9.519 12.316 1.448 1.00 10.00 C ATOM 57 CD1 TYR A 6 -8.534 13.044 2.132 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.345 11.471 2.186 1.00 10.00 C ATOM 59 CE1 TYR A 6 -8.294 12.768 3.494 1.00 10.00 C ATOM 60 CE2 TYR A 6 -9.942 11.007 3.439 1.00 10.00 C ATOM 61 CZ TYR A 6 -8.979 11.732 4.148 1.00 10.00 C ATOM 62 OH TYR A 6 -8.563 11.291 5.369 1.00 10.00 O ATOM 0 HA TYR A 6 -7.764 11.079 -0.243 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.996 13.051 -0.480 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.238 11.326 -0.280 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -7.966 13.807 1.621 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -11.303 11.173 1.786 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.575 13.361 4.040 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.366 10.104 3.854 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.153 10.571 5.675 1.00 10.00 H new ATOM 72 N TYR A 7 -8.673 10.006 -2.189 1.00 10.00 N ATOM 73 CA TYR A 7 -8.544 9.046 -3.243 1.00 10.00 C ATOM 74 C TYR A 7 -9.641 8.004 -3.052 1.00 10.00 C ATOM 75 O TYR A 7 -9.867 7.492 -1.956 1.00 10.00 O ATOM 76 CB TYR A 7 -7.159 8.429 -3.046 1.00 10.00 C ATOM 77 CG TYR A 7 -5.996 8.940 -3.883 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.114 10.023 -4.780 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.714 8.471 -3.554 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.969 10.716 -5.208 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.575 9.175 -3.967 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.705 10.338 -4.735 1.00 10.00 C ATOM 83 OH TYR A 7 -2.654 11.191 -4.872 1.00 10.00 O ATOM 0 H TYR A 7 -8.965 9.554 -1.323 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.641 9.467 -4.244 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.889 8.555 -1.997 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.248 7.358 -3.226 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.088 10.320 -5.139 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.605 7.563 -2.980 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.063 11.539 -5.901 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.593 8.819 -3.692 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.166 11.248 -4.024 1.00 10.00 H new ATOM 93 N THR A 8 -10.366 7.743 -4.129 1.00 10.00 N ATOM 94 CA THR A 8 -11.596 6.982 -4.122 1.00 10.00 C ATOM 95 C THR A 8 -11.286 5.491 -4.229 1.00 10.00 C ATOM 96 O THR A 8 -10.280 5.118 -4.824 1.00 10.00 O ATOM 97 CB THR A 8 -12.447 7.472 -5.300 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.626 7.539 -6.452 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.991 8.876 -5.009 1.00 10.00 C ATOM 0 H THR A 8 -10.102 8.067 -5.059 1.00 10.00 H new ATOM 0 HA THR A 8 -12.146 7.127 -3.192 1.00 10.00 H new ATOM 0 HB THR A 8 -13.279 6.785 -5.454 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.157 7.849 -7.215 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.594 9.215 -5.852 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.607 8.848 -4.110 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.159 9.564 -4.858 1.00 10.00 H new ATOM 107 N LEU A 9 -12.149 4.628 -3.686 1.00 10.00 N ATOM 108 CA LEU A 9 -11.999 3.184 -3.840 1.00 10.00 C ATOM 109 C LEU A 9 -11.875 2.799 -5.314 1.00 10.00 C ATOM 110 O LEU A 9 -11.031 1.976 -5.651 1.00 10.00 O ATOM 111 CB LEU A 9 -13.096 2.456 -3.058 1.00 10.00 C ATOM 112 CG LEU A 9 -13.388 1.002 -3.476 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.940 0.229 -2.271 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.423 0.907 -4.607 1.00 10.00 C ATOM 0 H LEU A 9 -12.960 4.908 -3.135 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.060 2.851 -3.397 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.822 2.459 -2.003 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.018 3.029 -3.150 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.448 0.581 -3.833 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.148 -0.800 -2.563 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.205 0.236 -1.466 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.860 0.701 -1.926 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.590 -0.140 -4.861 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.361 1.355 -4.280 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -14.053 1.438 -5.484 1.00 10.00 H new ATOM 126 N GLU A 10 -12.645 3.461 -6.187 1.00 10.00 N ATOM 127 CA GLU A 10 -12.480 3.416 -7.637 1.00 10.00 C ATOM 128 C GLU A 10 -10.992 3.440 -7.997 1.00 10.00 C ATOM 129 O GLU A 10 -10.442 2.472 -8.528 1.00 10.00 O ATOM 130 CB GLU A 10 -13.216 4.628 -8.234 1.00 10.00 C ATOM 131 CG GLU A 10 -13.086 4.774 -9.758 1.00 10.00 C ATOM 132 CD GLU A 10 -13.695 3.608 -10.526 1.00 10.00 C ATOM 133 OE1 GLU A 10 -14.822 3.218 -10.155 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.031 3.149 -11.480 1.00 10.00 O ATOM 0 H GLU A 10 -13.419 4.057 -5.892 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.899 2.496 -8.045 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.273 4.555 -7.979 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.836 5.534 -7.763 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.570 5.699 -10.071 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.032 4.862 -10.020 1.00 10.00 H new ATOM 141 N GLU A 11 -10.332 4.552 -7.659 1.00 10.00 N ATOM 142 CA GLU A 11 -8.928 4.739 -7.959 1.00 10.00 C ATOM 143 C GLU A 11 -8.103 3.661 -7.293 1.00 10.00 C ATOM 144 O GLU A 11 -7.223 3.065 -7.909 1.00 10.00 O ATOM 145 CB GLU A 11 -8.424 6.093 -7.445 1.00 10.00 C ATOM 146 CG GLU A 11 -8.715 7.284 -8.358 1.00 10.00 C ATOM 147 CD GLU A 11 -7.859 7.198 -9.613 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.667 7.560 -9.563 1.00 10.00 O ATOM 149 OE2 GLU A 11 -8.319 6.653 -10.638 1.00 10.00 O ATOM 0 H GLU A 11 -10.762 5.338 -7.172 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.823 4.694 -9.043 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.874 6.284 -6.471 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.347 6.028 -7.292 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.771 7.296 -8.628 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.510 8.216 -7.831 1.00 10.00 H new ATOM 156 N ILE A 12 -8.337 3.472 -5.999 1.00 10.00 N ATOM 157 CA ILE A 12 -7.472 2.648 -5.197 1.00 10.00 C ATOM 158 C ILE A 12 -7.436 1.242 -5.779 1.00 10.00 C ATOM 159 O ILE A 12 -6.351 0.717 -6.006 1.00 10.00 O ATOM 160 CB ILE A 12 -7.880 2.721 -3.714 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.689 4.145 -3.159 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.036 1.763 -2.878 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.556 4.416 -1.927 1.00 10.00 C ATOM 0 H ILE A 12 -9.121 3.883 -5.493 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.447 3.017 -5.225 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.932 2.442 -3.653 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.640 4.293 -2.901 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.931 4.870 -3.936 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.339 1.829 -1.833 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.182 0.743 -3.235 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.984 2.032 -2.968 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.382 5.433 -1.577 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.607 4.297 -2.189 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.296 3.711 -1.137 1.00 10.00 H new ATOM 175 N GLN A 13 -8.595 0.665 -6.100 1.00 10.00 N ATOM 176 CA GLN A 13 -8.635 -0.671 -6.676 1.00 10.00 C ATOM 177 C GLN A 13 -7.904 -0.680 -8.014 1.00 10.00 C ATOM 178 O GLN A 13 -7.092 -1.558 -8.300 1.00 10.00 O ATOM 179 CB GLN A 13 -10.083 -1.119 -6.894 1.00 10.00 C ATOM 180 CG GLN A 13 -10.754 -1.522 -5.575 1.00 10.00 C ATOM 181 CD GLN A 13 -12.173 -2.043 -5.775 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.868 -2.194 -4.748 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.535 -2.301 -6.945 1.00 10.00 N ATOM 0 H GLN A 13 -9.508 1.101 -5.971 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.148 -1.358 -5.984 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.648 -0.311 -7.359 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.104 -1.961 -7.586 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.154 -2.290 -5.086 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -10.777 -0.662 -4.906 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.895 -2.144 -7.723 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.470 -2.668 -7.120 1.00 10.00 H new ATOM 190 N LYS A 14 -8.217 0.322 -8.836 1.00 10.00 N ATOM 191 CA LYS A 14 -7.649 0.506 -10.161 1.00 10.00 C ATOM 192 C LYS A 14 -6.116 0.535 -10.085 1.00 10.00 C ATOM 193 O LYS A 14 -5.423 0.011 -10.963 1.00 10.00 O ATOM 194 CB LYS A 14 -8.305 1.772 -10.739 1.00 10.00 C ATOM 195 CG LYS A 14 -7.620 2.518 -11.896 1.00 10.00 C ATOM 196 CD LYS A 14 -6.672 3.609 -11.354 1.00 10.00 C ATOM 197 CE LYS A 14 -6.320 4.700 -12.379 1.00 10.00 C ATOM 198 NZ LYS A 14 -5.960 5.977 -11.717 1.00 10.00 N ATOM 0 H LYS A 14 -8.892 1.045 -8.586 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.859 -0.322 -10.839 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.305 1.498 -11.074 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -8.426 2.481 -9.920 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -7.059 1.813 -12.509 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.373 2.971 -12.540 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -7.134 4.077 -10.485 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -5.751 3.137 -11.011 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.488 4.363 -12.998 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -7.168 4.861 -13.045 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.844 6.720 -12.435 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -6.714 6.250 -11.055 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.068 5.858 -11.195 1.00 10.00 H new ATOM 212 N HIS A 15 -5.589 1.138 -9.020 1.00 10.00 N ATOM 213 CA HIS A 15 -4.181 1.171 -8.687 1.00 10.00 C ATOM 214 C HIS A 15 -3.748 -0.078 -7.910 1.00 10.00 C ATOM 215 O HIS A 15 -3.514 -0.037 -6.704 1.00 10.00 O ATOM 216 CB HIS A 15 -3.901 2.438 -7.883 1.00 10.00 C ATOM 217 CG HIS A 15 -3.675 3.653 -8.728 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.477 3.949 -9.314 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.565 4.635 -9.062 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.642 5.069 -10.036 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.911 5.509 -9.941 1.00 10.00 N ATOM 0 H HIS A 15 -6.164 1.636 -8.341 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.599 1.179 -9.609 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.740 2.624 -7.213 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -3.024 2.274 -7.258 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.613 3.415 -9.220 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.583 4.721 -8.713 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.865 5.550 -10.612 1.00 10.00 H new ATOM 229 N ASN A 16 -3.535 -1.185 -8.614 1.00 10.00 N ATOM 230 CA ASN A 16 -2.921 -2.384 -8.031 1.00 10.00 C ATOM 231 C ASN A 16 -2.002 -3.082 -9.025 1.00 10.00 C ATOM 232 O ASN A 16 -1.850 -4.301 -8.990 1.00 10.00 O ATOM 233 CB ASN A 16 -3.991 -3.333 -7.478 1.00 10.00 C ATOM 234 CG ASN A 16 -4.866 -4.003 -8.530 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.750 -3.746 -9.727 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.755 -4.883 -8.081 1.00 10.00 N ATOM 0 H ASN A 16 -3.780 -1.281 -9.600 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.298 -2.068 -7.194 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.499 -4.108 -6.890 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.632 -2.775 -6.796 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.367 -5.369 -8.736 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.825 -5.073 -7.081 1.00 10.00 H new ATOM 290 N SER A 20 0.260 1.824 -11.250 1.00 10.00 N ATOM 291 CA SER A 20 0.984 2.152 -10.028 1.00 10.00 C ATOM 292 C SER A 20 0.187 1.535 -8.884 1.00 10.00 C ATOM 293 O SER A 20 -1.041 1.593 -8.889 1.00 10.00 O ATOM 294 CB SER A 20 1.277 3.644 -9.802 1.00 10.00 C ATOM 295 OG SER A 20 1.949 4.197 -10.915 1.00 10.00 O ATOM 0 HA SER A 20 1.990 1.738 -10.100 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.344 4.181 -9.631 1.00 10.00 H new ATOM 0 HB3 SER A 20 1.885 3.768 -8.906 1.00 10.00 H new ATOM 0 HG SER A 20 1.695 3.709 -11.726 1.00 10.00 H new ATOM 301 N THR A 21 0.877 0.889 -7.953 1.00 10.00 N ATOM 302 CA THR A 21 0.307 0.014 -6.946 1.00 10.00 C ATOM 303 C THR A 21 -0.003 0.813 -5.677 1.00 10.00 C ATOM 304 O THR A 21 0.918 1.306 -5.031 1.00 10.00 O ATOM 305 CB THR A 21 1.335 -1.099 -6.717 1.00 10.00 C ATOM 306 OG1 THR A 21 1.447 -1.843 -7.916 1.00 10.00 O ATOM 307 CG2 THR A 21 0.933 -2.060 -5.601 1.00 10.00 C ATOM 0 H THR A 21 1.891 0.966 -7.879 1.00 10.00 H new ATOM 0 HA THR A 21 -0.641 -0.425 -7.258 1.00 10.00 H new ATOM 0 HB THR A 21 2.274 -0.628 -6.426 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.522 -2.797 -7.703 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.700 -2.826 -5.486 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.828 -1.509 -4.667 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.017 -2.533 -5.852 1.00 10.00 H new ATOM 315 N TRP A 22 -1.289 0.940 -5.331 1.00 10.00 N ATOM 316 CA TRP A 22 -1.796 1.669 -4.175 1.00 10.00 C ATOM 317 C TRP A 22 -2.234 0.664 -3.104 1.00 10.00 C ATOM 318 O TRP A 22 -2.507 -0.486 -3.423 1.00 10.00 O ATOM 319 CB TRP A 22 -2.962 2.572 -4.611 1.00 10.00 C ATOM 320 CG TRP A 22 -2.584 3.860 -5.300 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.357 4.181 -5.767 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.428 4.999 -5.646 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.403 5.374 -6.454 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.668 5.918 -6.428 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.756 5.363 -5.357 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.218 7.093 -6.961 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.320 6.537 -5.883 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.572 7.375 -6.727 1.00 10.00 C ATOM 0 H TRP A 22 -2.036 0.515 -5.880 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.018 2.305 -3.753 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.606 2.001 -5.280 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.555 2.816 -3.729 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.467 3.587 -5.622 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.603 5.800 -6.922 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.353 4.728 -4.719 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.609 7.770 -7.542 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.339 6.798 -5.636 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -5.037 8.231 -7.193 1.00 10.00 H new ATOM 339 N LEU A 23 -2.324 1.069 -1.836 1.00 10.00 N ATOM 340 CA LEU A 23 -2.949 0.275 -0.777 1.00 10.00 C ATOM 341 C LEU A 23 -3.456 1.216 0.301 1.00 10.00 C ATOM 342 O LEU A 23 -2.969 2.345 0.390 1.00 10.00 O ATOM 343 CB LEU A 23 -2.026 -0.780 -0.126 1.00 10.00 C ATOM 344 CG LEU A 23 -0.540 -0.796 -0.487 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.276 -0.480 0.763 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.146 -2.179 -1.014 1.00 10.00 C ATOM 0 H LEU A 23 -1.962 1.966 -1.512 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.754 -0.285 -1.253 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.100 -0.658 0.955 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.432 -1.763 -0.364 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.345 -0.052 -1.259 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.338 -0.489 0.516 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.001 0.505 1.139 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.075 -1.230 1.528 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.914 -2.183 -1.269 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.337 -2.929 -0.246 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.734 -2.411 -1.902 1.00 10.00 H new ATOM 358 N ILE A 24 -4.395 0.729 1.121 1.00 10.00 N ATOM 359 CA ILE A 24 -4.884 1.433 2.299 1.00 10.00 C ATOM 360 C ILE A 24 -4.362 0.741 3.545 1.00 10.00 C ATOM 361 O ILE A 24 -4.555 -0.463 3.702 1.00 10.00 O ATOM 362 CB ILE A 24 -6.426 1.519 2.366 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.137 1.578 1.001 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.804 2.724 3.233 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.583 1.085 1.083 1.00 10.00 C ATOM 0 H ILE A 24 -4.839 -0.178 0.978 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.516 2.457 2.235 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.777 0.586 2.807 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.124 2.603 0.630 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.588 0.972 0.280 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.889 2.803 3.293 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.393 2.595 4.234 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.398 3.633 2.789 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.044 1.145 0.097 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.596 0.051 1.428 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.141 1.708 1.783 1.00 10.00 H new ATOM 377 N LEU A 25 -3.691 1.510 4.403 1.00 10.00 N ATOM 378 CA LEU A 25 -3.147 1.066 5.675 1.00 10.00 C ATOM 379 C LEU A 25 -3.599 2.106 6.701 1.00 10.00 C ATOM 380 O LEU A 25 -3.027 3.187 6.776 1.00 10.00 O ATOM 381 CB LEU A 25 -1.615 0.982 5.586 1.00 10.00 C ATOM 382 CG LEU A 25 -1.042 -0.392 5.198 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.605 -1.007 3.921 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.471 -0.277 5.004 1.00 10.00 C ATOM 0 H LEU A 25 -3.508 2.496 4.219 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.496 0.072 5.955 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.271 1.717 4.858 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.197 1.270 6.551 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.328 -1.046 6.022 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.132 -1.973 3.743 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.681 -1.144 4.027 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.405 -0.344 3.079 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.878 -1.250 4.729 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.683 0.442 4.212 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.932 0.060 5.932 1.00 10.00 H new ATOM 396 N HIS A 26 -4.637 1.807 7.482 1.00 10.00 N ATOM 397 CA HIS A 26 -5.159 2.710 8.503 1.00 10.00 C ATOM 398 C HIS A 26 -5.797 3.956 7.859 1.00 10.00 C ATOM 399 O HIS A 26 -5.439 5.080 8.204 1.00 10.00 O ATOM 400 CB HIS A 26 -4.064 3.084 9.534 1.00 10.00 C ATOM 401 CG HIS A 26 -3.137 1.972 9.990 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.381 1.083 11.014 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.835 1.781 9.593 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.260 0.364 11.207 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.277 0.757 10.373 1.00 10.00 N ATOM 0 H HIS A 26 -5.142 0.923 7.422 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.945 2.189 9.050 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.454 3.879 9.106 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.555 3.498 10.415 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -4.254 0.987 11.532 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.327 2.327 8.812 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.161 -0.426 11.936 1.00 10.00 H new ATOM 413 N TYR A 27 -6.724 3.771 6.903 1.00 10.00 N ATOM 414 CA TYR A 27 -7.391 4.816 6.102 1.00 10.00 C ATOM 415 C TYR A 27 -6.453 5.592 5.165 1.00 10.00 C ATOM 416 O TYR A 27 -6.867 5.990 4.075 1.00 10.00 O ATOM 417 CB TYR A 27 -8.199 5.822 6.940 1.00 10.00 C ATOM 418 CG TYR A 27 -9.649 5.483 7.231 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.642 6.021 6.389 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.014 4.989 8.498 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.939 6.238 6.876 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.330 5.160 8.968 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.272 5.847 8.182 1.00 10.00 C ATOM 424 OH TYR A 27 -13.405 6.348 8.758 1.00 10.00 O ATOM 0 H TYR A 27 -7.047 2.836 6.653 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.081 4.237 5.489 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.686 5.955 7.893 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.174 6.784 6.428 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.404 6.267 5.365 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.284 4.479 9.109 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.681 6.706 6.246 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -11.616 4.764 9.931 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.501 5.984 9.663 1.00 10.00 H new ATOM 434 N LYS A 28 -5.221 5.880 5.585 1.00 10.00 N ATOM 435 CA LYS A 28 -4.250 6.521 4.716 1.00 10.00 C ATOM 436 C LYS A 28 -3.958 5.621 3.511 1.00 10.00 C ATOM 437 O LYS A 28 -4.043 4.396 3.626 1.00 10.00 O ATOM 438 CB LYS A 28 -2.965 6.827 5.497 1.00 10.00 C ATOM 439 CG LYS A 28 -2.986 8.161 6.256 1.00 10.00 C ATOM 440 CD LYS A 28 -3.222 9.330 5.287 1.00 10.00 C ATOM 441 CE LYS A 28 -2.375 10.580 5.566 1.00 10.00 C ATOM 442 NZ LYS A 28 -2.300 11.465 4.379 1.00 10.00 N ATOM 0 H LYS A 28 -4.877 5.677 6.524 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.658 7.464 4.351 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.786 6.021 6.209 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.125 6.831 4.803 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.771 8.144 7.012 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.041 8.302 6.781 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.017 8.989 4.272 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.276 9.607 5.324 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -2.803 11.130 6.404 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -1.369 10.280 5.861 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -1.853 12.365 4.645 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -1.735 11.004 3.637 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.259 11.647 4.021 1.00 10.00 H new ATOM 456 N VAL A 29 -3.613 6.239 2.373 1.00 10.00 N ATOM 457 CA VAL A 29 -3.323 5.554 1.119 1.00 10.00 C ATOM 458 C VAL A 29 -1.860 5.760 0.719 1.00 10.00 C ATOM 459 O VAL A 29 -1.278 6.833 0.914 1.00 10.00 O ATOM 460 CB VAL A 29 -4.310 5.957 0.011 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.909 5.441 -1.373 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.685 5.367 0.285 1.00 10.00 C ATOM 0 H VAL A 29 -3.528 7.253 2.304 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.465 4.484 1.270 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.310 7.047 0.015 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.647 5.760 -2.108 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.932 5.842 -1.642 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.862 4.352 -1.356 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.372 5.662 -0.508 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.614 4.280 0.319 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.055 5.736 1.241 1.00 10.00 H new ATOM 472 N TYR A 30 -1.285 4.682 0.182 1.00 10.00 N ATOM 473 CA TYR A 30 0.141 4.432 0.060 1.00 10.00 C ATOM 474 C TYR A 30 0.443 3.924 -1.344 1.00 10.00 C ATOM 475 O TYR A 30 -0.163 2.926 -1.731 1.00 10.00 O ATOM 476 CB TYR A 30 0.451 3.326 1.075 1.00 10.00 C ATOM 477 CG TYR A 30 0.359 3.808 2.503 1.00 10.00 C ATOM 478 CD1 TYR A 30 1.399 4.565 3.069 1.00 10.00 C ATOM 479 CD2 TYR A 30 -0.862 3.690 3.188 1.00 10.00 C ATOM 480 CE1 TYR A 30 1.246 5.118 4.354 1.00 10.00 C ATOM 481 CE2 TYR A 30 -1.012 4.267 4.456 1.00 10.00 C ATOM 482 CZ TYR A 30 0.054 4.937 5.063 1.00 10.00 C ATOM 483 OH TYR A 30 -0.085 5.462 6.313 1.00 10.00 O ATOM 0 H TYR A 30 -1.842 3.918 -0.201 1.00 10.00 H new ATOM 0 HA TYR A 30 0.732 5.330 0.239 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.243 2.499 0.929 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.453 2.938 0.890 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.315 4.722 2.518 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.685 3.155 2.737 1.00 10.00 H new ATOM 0 HE1 TYR A 30 2.053 5.685 4.795 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -1.960 4.193 4.969 1.00 10.00 H new ATOM 0 HH TYR A 30 0.622 6.122 6.471 1.00 10.00 H new ATOM 493 N ASP A 31 1.364 4.562 -2.083 1.00 10.00 N ATOM 494 CA ASP A 31 1.975 3.921 -3.252 1.00 10.00 C ATOM 495 C ASP A 31 2.898 2.817 -2.732 1.00 10.00 C ATOM 496 O ASP A 31 3.253 2.856 -1.559 1.00 10.00 O ATOM 497 CB ASP A 31 2.777 4.930 -4.095 1.00 10.00 C ATOM 498 CG ASP A 31 3.637 4.252 -5.164 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.130 3.307 -5.814 1.00 10.00 O ATOM 500 OD2 ASP A 31 4.825 4.612 -5.277 1.00 10.00 O ATOM 0 H ASP A 31 1.697 5.508 -1.894 1.00 10.00 H new ATOM 0 HA ASP A 31 1.198 3.514 -3.899 1.00 10.00 H new ATOM 0 HB2 ASP A 31 2.088 5.625 -4.575 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.418 5.519 -3.438 1.00 10.00 H new ATOM 505 N LEU A 32 3.328 1.884 -3.586 1.00 10.00 N ATOM 506 CA LEU A 32 4.518 1.063 -3.340 1.00 10.00 C ATOM 507 C LEU A 32 5.260 0.663 -4.622 1.00 10.00 C ATOM 508 O LEU A 32 6.148 -0.181 -4.560 1.00 10.00 O ATOM 509 CB LEU A 32 4.172 -0.242 -2.612 1.00 10.00 C ATOM 510 CG LEU A 32 3.553 -0.162 -1.213 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.486 -1.579 -0.651 1.00 10.00 C ATOM 512 CD2 LEU A 32 4.272 0.635 -0.128 1.00 10.00 C ATOM 0 H LEU A 32 2.861 1.676 -4.468 1.00 10.00 H new ATOM 0 HA LEU A 32 5.157 1.700 -2.729 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.485 -0.802 -3.246 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.086 -0.830 -2.536 1.00 10.00 H new ATOM 0 HG LEU A 32 2.613 0.357 -1.401 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.048 -1.554 0.347 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.870 -2.200 -1.302 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.491 -1.997 -0.596 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.699 0.588 0.798 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.263 0.213 0.037 1.00 10.00 H new ATOM 0 HD23 LEU A 32 4.368 1.674 -0.443 1.00 10.00 H new ATOM 524 N THR A 33 4.918 1.206 -5.784 1.00 10.00 N ATOM 525 CA THR A 33 5.362 0.700 -7.085 1.00 10.00 C ATOM 526 C THR A 33 6.879 0.506 -7.187 1.00 10.00 C ATOM 527 O THR A 33 7.318 -0.511 -7.714 1.00 10.00 O ATOM 528 CB THR A 33 4.830 1.621 -8.194 1.00 10.00 C ATOM 529 OG1 THR A 33 3.454 1.865 -7.984 1.00 10.00 O ATOM 530 CG2 THR A 33 4.985 0.994 -9.580 1.00 10.00 C ATOM 0 H THR A 33 4.314 2.025 -5.854 1.00 10.00 H new ATOM 0 HA THR A 33 4.946 -0.300 -7.207 1.00 10.00 H new ATOM 0 HB THR A 33 5.410 2.543 -8.154 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.346 2.617 -7.365 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.596 1.678 -10.334 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.040 0.799 -9.775 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.430 0.057 -9.620 1.00 10.00 H new ATOM 538 N LYS A 34 7.692 1.436 -6.678 1.00 10.00 N ATOM 539 CA LYS A 34 9.130 1.190 -6.584 1.00 10.00 C ATOM 540 C LYS A 34 9.405 0.091 -5.554 1.00 10.00 C ATOM 541 O LYS A 34 10.224 -0.795 -5.760 1.00 10.00 O ATOM 542 CB LYS A 34 9.874 2.482 -6.203 1.00 10.00 C ATOM 543 CG LYS A 34 11.359 2.188 -5.926 1.00 10.00 C ATOM 544 CD LYS A 34 12.170 3.467 -5.689 1.00 10.00 C ATOM 545 CE LYS A 34 13.565 3.113 -5.148 1.00 10.00 C ATOM 546 NZ LYS A 34 13.527 2.694 -3.731 1.00 10.00 N ATOM 0 H LYS A 34 7.387 2.346 -6.332 1.00 10.00 H new ATOM 0 HA LYS A 34 9.494 0.860 -7.557 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.786 3.210 -7.009 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.414 2.926 -5.320 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.442 1.540 -5.053 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.783 1.643 -6.769 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.263 4.026 -6.620 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.649 4.112 -4.981 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.993 2.312 -5.750 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.222 3.976 -5.252 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.436 2.259 -3.473 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.357 3.524 -3.128 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 12.762 2.003 -3.594 1.00 10.00 H new ATOM 560 N PHE A 35 8.753 0.182 -4.399 1.00 10.00 N ATOM 561 CA PHE A 35 9.080 -0.625 -3.240 1.00 10.00 C ATOM 562 C PHE A 35 8.828 -2.099 -3.516 1.00 10.00 C ATOM 563 O PHE A 35 9.517 -2.945 -2.961 1.00 10.00 O ATOM 564 CB PHE A 35 8.300 -0.139 -2.016 1.00 10.00 C ATOM 565 CG PHE A 35 8.763 -0.765 -0.720 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.103 -0.643 -0.305 1.00 10.00 C ATOM 567 CD2 PHE A 35 7.862 -1.523 0.043 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.541 -1.289 0.863 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.299 -2.160 1.211 1.00 10.00 C ATOM 570 CZ PHE A 35 9.638 -2.053 1.622 1.00 10.00 C ATOM 0 H PHE A 35 7.977 0.825 -4.245 1.00 10.00 H new ATOM 0 HA PHE A 35 10.143 -0.513 -3.026 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.394 0.944 -1.941 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.242 -0.358 -2.159 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.795 -0.052 -0.886 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.833 -1.615 -0.270 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.570 -1.199 1.177 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.602 -2.738 1.800 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.972 -2.556 2.518 1.00 10.00 H new ATOM 580 N LEU A 36 7.891 -2.406 -4.415 1.00 10.00 N ATOM 581 CA LEU A 36 7.759 -3.713 -5.048 1.00 10.00 C ATOM 582 C LEU A 36 9.118 -4.390 -5.309 1.00 10.00 C ATOM 583 O LEU A 36 9.261 -5.585 -5.059 1.00 10.00 O ATOM 584 CB LEU A 36 6.986 -3.539 -6.363 1.00 10.00 C ATOM 585 CG LEU A 36 5.520 -3.109 -6.223 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.848 -3.250 -7.593 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.755 -3.948 -5.197 1.00 10.00 C ATOM 0 H LEU A 36 7.189 -1.736 -4.728 1.00 10.00 H new ATOM 0 HA LEU A 36 7.219 -4.370 -4.366 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.505 -2.800 -6.973 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.018 -4.482 -6.909 1.00 10.00 H new ATOM 0 HG LEU A 36 5.501 -2.078 -5.870 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.803 -2.949 -7.518 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.358 -2.613 -8.316 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.904 -4.288 -7.921 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.724 -3.600 -5.139 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.768 -4.995 -5.500 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.227 -3.847 -4.220 1.00 10.00 H new ATOM 599 N GLU A 37 10.111 -3.634 -5.790 1.00 10.00 N ATOM 600 CA GLU A 37 11.464 -4.119 -6.032 1.00 10.00 C ATOM 601 C GLU A 37 12.170 -4.565 -4.742 1.00 10.00 C ATOM 602 O GLU A 37 12.883 -5.566 -4.731 1.00 10.00 O ATOM 603 CB GLU A 37 12.279 -2.996 -6.691 1.00 10.00 C ATOM 604 CG GLU A 37 11.731 -2.565 -8.059 1.00 10.00 C ATOM 605 CD GLU A 37 12.574 -1.437 -8.643 1.00 10.00 C ATOM 606 OE1 GLU A 37 12.253 -0.265 -8.348 1.00 10.00 O ATOM 607 OE2 GLU A 37 13.539 -1.770 -9.362 1.00 10.00 O ATOM 0 H GLU A 37 9.989 -2.649 -6.025 1.00 10.00 H new ATOM 0 HA GLU A 37 11.394 -4.991 -6.682 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.296 -2.132 -6.027 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.311 -3.328 -6.809 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.729 -3.416 -8.741 1.00 10.00 H new ATOM 0 HG3 GLU A 37 10.697 -2.237 -7.956 1.00 10.00 H new ATOM 614 N GLU A 38 12.030 -3.771 -3.679 1.00 10.00 N ATOM 615 CA GLU A 38 12.861 -3.809 -2.479 1.00 10.00 C ATOM 616 C GLU A 38 12.218 -4.638 -1.360 1.00 10.00 C ATOM 617 O GLU A 38 12.913 -5.174 -0.498 1.00 10.00 O ATOM 618 CB GLU A 38 13.076 -2.362 -2.011 1.00 10.00 C ATOM 619 CG GLU A 38 13.875 -1.548 -3.042 1.00 10.00 C ATOM 620 CD GLU A 38 13.746 -0.049 -2.835 1.00 10.00 C ATOM 621 OE1 GLU A 38 12.601 0.461 -2.805 1.00 10.00 O ATOM 622 OE2 GLU A 38 14.782 0.652 -2.819 1.00 10.00 O ATOM 0 H GLU A 38 11.305 -3.056 -3.631 1.00 10.00 H new ATOM 0 HA GLU A 38 13.811 -4.288 -2.717 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.110 -1.887 -1.840 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.604 -2.362 -1.058 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.927 -1.829 -2.984 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.532 -1.803 -4.045 1.00 10.00 H new ATOM 629 N HIS A 39 10.886 -4.692 -1.340 1.00 10.00 N ATOM 630 CA HIS A 39 10.083 -5.295 -0.292 1.00 10.00 C ATOM 631 C HIS A 39 10.509 -6.747 -0.037 1.00 10.00 C ATOM 632 O HIS A 39 10.385 -7.566 -0.945 1.00 10.00 O ATOM 633 CB HIS A 39 8.612 -5.234 -0.725 1.00 10.00 C ATOM 634 CG HIS A 39 7.659 -5.838 0.275 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.618 -6.690 -0.012 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.590 -5.535 1.608 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.920 -6.860 1.125 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.472 -6.175 2.144 1.00 10.00 N ATOM 0 H HIS A 39 10.318 -4.297 -2.090 1.00 10.00 H new ATOM 0 HA HIS A 39 10.225 -4.749 0.640 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.335 -4.193 -0.894 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.501 -5.752 -1.678 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.414 -7.113 -0.917 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.282 -4.908 2.151 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.031 -7.468 1.210 1.00 10.00 H new ATOM 646 N PRO A 40 10.941 -7.109 1.184 1.00 10.00 N ATOM 647 CA PRO A 40 11.244 -8.489 1.548 1.00 10.00 C ATOM 648 C PRO A 40 10.119 -9.469 1.202 1.00 10.00 C ATOM 649 O PRO A 40 10.384 -10.585 0.764 1.00 10.00 O ATOM 650 CB PRO A 40 11.534 -8.463 3.050 1.00 10.00 C ATOM 651 CG PRO A 40 12.108 -7.061 3.249 1.00 10.00 C ATOM 652 CD PRO A 40 11.268 -6.220 2.288 1.00 10.00 C ATOM 0 HA PRO A 40 12.096 -8.855 0.975 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.632 -8.620 3.641 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.244 -9.238 3.340 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.005 -6.723 4.280 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.169 -7.018 3.004 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.366 -5.850 2.775 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.823 -5.349 1.940 1.00 10.00 H new ATOM 660 N GLY A 41 8.859 -9.057 1.379 1.00 10.00 N ATOM 661 CA GLY A 41 7.709 -9.881 1.028 1.00 10.00 C ATOM 662 C GLY A 41 7.546 -10.093 -0.484 1.00 10.00 C ATOM 663 O GLY A 41 6.741 -10.927 -0.892 1.00 10.00 O ATOM 0 H GLY A 41 8.614 -8.147 1.768 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.805 -10.852 1.515 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.805 -9.416 1.421 1.00 10.00 H new ATOM 667 N GLY A 42 8.268 -9.341 -1.321 1.00 10.00 N ATOM 668 CA GLY A 42 8.128 -9.395 -2.768 1.00 10.00 C ATOM 669 C GLY A 42 6.897 -8.636 -3.238 1.00 10.00 C ATOM 670 O GLY A 42 6.144 -8.078 -2.435 1.00 10.00 O ATOM 0 H GLY A 42 8.971 -8.673 -1.004 1.00 10.00 H new ATOM 0 HA2 GLY A 42 9.017 -8.974 -3.237 1.00 10.00 H new ATOM 0 HA3 GLY A 42 8.061 -10.434 -3.089 1.00 10.00 H new ATOM 674 N GLU A 43 6.728 -8.597 -4.561 1.00 10.00 N ATOM 675 CA GLU A 43 5.624 -7.924 -5.213 1.00 10.00 C ATOM 676 C GLU A 43 4.374 -8.794 -5.109 1.00 10.00 C ATOM 677 O GLU A 43 3.441 -8.390 -4.431 1.00 10.00 O ATOM 678 CB GLU A 43 6.052 -7.486 -6.624 1.00 10.00 C ATOM 679 CG GLU A 43 4.914 -7.120 -7.594 1.00 10.00 C ATOM 680 CD GLU A 43 4.274 -8.333 -8.265 1.00 10.00 C ATOM 681 OE1 GLU A 43 4.933 -9.394 -8.278 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.121 -8.199 -8.729 1.00 10.00 O ATOM 0 H GLU A 43 7.372 -9.044 -5.214 1.00 10.00 H new ATOM 0 HA GLU A 43 5.349 -6.993 -4.718 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.713 -6.624 -6.530 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.638 -8.290 -7.070 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.147 -6.568 -7.051 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.303 -6.452 -8.363 1.00 10.00 H new ATOM 689 N GLU A 44 4.354 -9.979 -5.723 1.00 10.00 N ATOM 690 CA GLU A 44 3.200 -10.875 -5.788 1.00 10.00 C ATOM 691 C GLU A 44 2.191 -10.701 -4.642 1.00 10.00 C ATOM 692 O GLU A 44 1.126 -10.112 -4.822 1.00 10.00 O ATOM 693 CB GLU A 44 3.685 -12.336 -5.850 1.00 10.00 C ATOM 694 CG GLU A 44 4.252 -12.752 -7.215 1.00 10.00 C ATOM 695 CD GLU A 44 3.179 -13.304 -8.144 1.00 10.00 C ATOM 696 OE1 GLU A 44 2.074 -12.715 -8.149 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.467 -14.307 -8.827 1.00 10.00 O ATOM 0 H GLU A 44 5.171 -10.353 -6.206 1.00 10.00 H new ATOM 0 HA GLU A 44 2.659 -10.606 -6.695 1.00 10.00 H new ATOM 0 HB2 GLU A 44 4.452 -12.485 -5.090 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.854 -12.994 -5.598 1.00 10.00 H new ATOM 0 HG2 GLU A 44 4.729 -11.892 -7.685 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.026 -13.506 -7.070 1.00 10.00 H new ATOM 704 N VAL A 45 2.543 -11.189 -3.451 1.00 10.00 N ATOM 705 CA VAL A 45 1.677 -11.185 -2.276 1.00 10.00 C ATOM 706 C VAL A 45 1.198 -9.770 -1.916 1.00 10.00 C ATOM 707 O VAL A 45 0.085 -9.582 -1.432 1.00 10.00 O ATOM 708 CB VAL A 45 2.425 -11.874 -1.116 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.591 -11.026 -0.586 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.496 -12.235 0.047 1.00 10.00 C ATOM 0 H VAL A 45 3.457 -11.606 -3.275 1.00 10.00 H new ATOM 0 HA VAL A 45 0.767 -11.745 -2.491 1.00 10.00 H new ATOM 0 HB VAL A 45 2.826 -12.794 -1.541 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.085 -11.555 0.229 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.306 -10.848 -1.389 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.211 -10.072 -0.221 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.072 -12.717 0.837 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.033 -11.329 0.437 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.721 -12.916 -0.304 1.00 10.00 H new ATOM 720 N LEU A 46 2.045 -8.769 -2.153 1.00 10.00 N ATOM 721 CA LEU A 46 1.758 -7.370 -1.898 1.00 10.00 C ATOM 722 C LEU A 46 0.763 -6.849 -2.941 1.00 10.00 C ATOM 723 O LEU A 46 -0.228 -6.206 -2.595 1.00 10.00 O ATOM 724 CB LEU A 46 3.101 -6.623 -1.894 1.00 10.00 C ATOM 725 CG LEU A 46 3.066 -5.136 -1.543 1.00 10.00 C ATOM 726 CD1 LEU A 46 2.383 -4.931 -0.188 1.00 10.00 C ATOM 727 CD2 LEU A 46 4.522 -4.644 -1.505 1.00 10.00 C ATOM 0 H LEU A 46 2.977 -8.921 -2.540 1.00 10.00 H new ATOM 0 HA LEU A 46 1.279 -7.213 -0.931 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.764 -7.122 -1.188 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.550 -6.728 -2.882 1.00 10.00 H new ATOM 0 HG LEU A 46 2.497 -4.572 -2.282 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.363 -3.868 0.052 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.363 -5.312 -0.234 1.00 10.00 H new ATOM 0 HD13 LEU A 46 2.936 -5.467 0.583 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.541 -3.583 -1.257 1.00 10.00 H new ATOM 0 HD22 LEU A 46 5.075 -5.203 -0.751 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.983 -4.797 -2.481 1.00 10.00 H new ATOM 739 N ARG A 47 0.987 -7.178 -4.215 1.00 10.00 N ATOM 740 CA ARG A 47 0.152 -6.759 -5.337 1.00 10.00 C ATOM 741 C ARG A 47 -1.257 -7.286 -5.093 1.00 10.00 C ATOM 742 O ARG A 47 -2.252 -6.583 -5.232 1.00 10.00 O ATOM 743 CB ARG A 47 0.696 -7.362 -6.642 1.00 10.00 C ATOM 744 CG ARG A 47 -0.125 -6.883 -7.856 1.00 10.00 C ATOM 745 CD ARG A 47 -0.164 -7.904 -9.001 1.00 10.00 C ATOM 746 NE ARG A 47 -0.567 -9.246 -8.530 1.00 10.00 N ATOM 747 CZ ARG A 47 0.231 -10.326 -8.474 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.496 -10.284 -8.892 1.00 10.00 N ATOM 749 NH2 ARG A 47 -0.220 -11.479 -7.977 1.00 10.00 N ATOM 0 H ARG A 47 1.776 -7.759 -4.500 1.00 10.00 H new ATOM 0 HA ARG A 47 0.151 -5.672 -5.421 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.741 -7.078 -6.770 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.666 -8.450 -6.584 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.144 -6.668 -7.535 1.00 10.00 H new ATOM 0 HG3 ARG A 47 0.297 -5.948 -8.226 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.861 -7.564 -9.767 1.00 10.00 H new ATOM 0 HD3 ARG A 47 0.819 -7.963 -9.468 1.00 10.00 H new ATOM 0 HE ARG A 47 -1.532 -9.362 -8.221 1.00 10.00 H new ATOM 0 HH11 ARG A 47 1.881 -9.417 -9.266 1.00 10.00 H new ATOM 0 HH12 ARG A 47 2.079 -11.119 -8.838 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.179 -11.547 -7.635 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.394 -12.293 -7.939 1.00 10.00 H new ATOM 763 N GLU A 48 -1.304 -8.556 -4.714 1.00 10.00 N ATOM 764 CA GLU A 48 -2.497 -9.325 -4.442 1.00 10.00 C ATOM 765 C GLU A 48 -3.373 -8.703 -3.338 1.00 10.00 C ATOM 766 O GLU A 48 -4.541 -9.057 -3.187 1.00 10.00 O ATOM 767 CB GLU A 48 -1.970 -10.694 -4.027 1.00 10.00 C ATOM 768 CG GLU A 48 -2.989 -11.825 -4.229 1.00 10.00 C ATOM 769 CD GLU A 48 -3.242 -12.124 -5.710 1.00 10.00 C ATOM 770 OE1 GLU A 48 -2.467 -11.619 -6.560 1.00 10.00 O ATOM 771 OE2 GLU A 48 -4.206 -12.871 -5.973 1.00 10.00 O ATOM 0 H GLU A 48 -0.454 -9.105 -4.582 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.152 -9.366 -5.312 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.071 -10.918 -4.600 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.679 -10.660 -2.977 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.629 -12.728 -3.735 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.930 -11.553 -3.750 1.00 10.00 H new ATOM 778 N GLN A 49 -2.811 -7.816 -2.513 1.00 10.00 N ATOM 779 CA GLN A 49 -3.552 -7.037 -1.522 1.00 10.00 C ATOM 780 C GLN A 49 -3.695 -5.575 -1.932 1.00 10.00 C ATOM 781 O GLN A 49 -4.602 -4.880 -1.475 1.00 10.00 O ATOM 782 CB GLN A 49 -2.826 -7.143 -0.186 1.00 10.00 C ATOM 783 CG GLN A 49 -2.778 -8.588 0.329 1.00 10.00 C ATOM 784 CD GLN A 49 -4.140 -9.190 0.661 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.490 -9.293 1.834 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.905 -9.629 -0.337 1.00 10.00 N ATOM 0 H GLN A 49 -1.811 -7.617 -2.516 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.561 -7.441 -1.443 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.810 -6.763 -0.294 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.326 -6.512 0.549 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.293 -9.212 -0.422 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.154 -8.621 1.222 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.590 -9.531 -1.302 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.806 -10.063 -0.136 1.00 10.00 H new ATOM 795 N ALA A 50 -2.779 -5.102 -2.771 1.00 10.00 N ATOM 796 CA ALA A 50 -2.842 -3.766 -3.342 1.00 10.00 C ATOM 797 C ALA A 50 -4.171 -3.501 -4.051 1.00 10.00 C ATOM 798 O ALA A 50 -4.854 -4.412 -4.516 1.00 10.00 O ATOM 799 CB ALA A 50 -1.682 -3.540 -4.300 1.00 10.00 C ATOM 0 H ALA A 50 -1.968 -5.641 -3.074 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.767 -3.061 -2.514 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.745 -2.535 -4.718 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.740 -3.651 -3.763 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.728 -4.272 -5.107 1.00 10.00 H new ATOM 805 N GLY A 51 -4.533 -2.220 -4.112 1.00 10.00 N ATOM 806 CA GLY A 51 -5.865 -1.762 -4.427 1.00 10.00 C ATOM 807 C GLY A 51 -6.859 -2.462 -3.529 1.00 10.00 C ATOM 808 O GLY A 51 -7.875 -2.992 -3.969 1.00 10.00 O ATOM 0 H GLY A 51 -3.879 -1.457 -3.936 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -5.932 -0.683 -4.292 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.095 -1.967 -5.473 1.00 10.00 H new ATOM 812 N GLY A 52 -6.556 -2.402 -2.236 1.00 10.00 N ATOM 813 CA GLY A 52 -7.470 -2.768 -1.199 1.00 10.00 C ATOM 814 C GLY A 52 -6.867 -2.252 0.092 1.00 10.00 C ATOM 815 O GLY A 52 -5.750 -1.720 0.127 1.00 10.00 O ATOM 0 H GLY A 52 -5.649 -2.090 -1.890 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.453 -2.330 -1.373 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.605 -3.849 -1.162 1.00 10.00 H new ATOM 819 N ASP A 53 -7.647 -2.417 1.145 1.00 10.00 N ATOM 820 CA ASP A 53 -7.186 -2.218 2.499 1.00 10.00 C ATOM 821 C ASP A 53 -6.372 -3.434 2.907 1.00 10.00 C ATOM 822 O ASP A 53 -6.876 -4.555 2.868 1.00 10.00 O ATOM 823 CB ASP A 53 -8.340 -1.955 3.472 1.00 10.00 C ATOM 824 CG ASP A 53 -7.770 -1.516 4.811 1.00 10.00 C ATOM 825 OD1 ASP A 53 -7.088 -2.343 5.456 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.938 -0.331 5.166 1.00 10.00 O ATOM 0 H ASP A 53 -8.626 -2.695 1.079 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.561 -1.326 2.539 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.000 -1.185 3.073 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.940 -2.856 3.596 1.00 10.00 H new ATOM 831 N ALA A 54 -5.105 -3.211 3.252 1.00 10.00 N ATOM 832 CA ALA A 54 -4.230 -4.263 3.733 1.00 10.00 C ATOM 833 C ALA A 54 -3.784 -3.964 5.162 1.00 10.00 C ATOM 834 O ALA A 54 -2.715 -4.409 5.572 1.00 10.00 O ATOM 835 CB ALA A 54 -3.051 -4.392 2.769 1.00 10.00 C ATOM 0 H ALA A 54 -4.662 -2.293 3.204 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.755 -5.218 3.763 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.382 -5.180 3.116 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.420 -4.641 1.774 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.509 -3.447 2.729 1.00 10.00 H new ATOM 841 N THR A 55 -4.580 -3.219 5.934 1.00 10.00 N ATOM 842 CA THR A 55 -4.198 -2.796 7.272 1.00 10.00 C ATOM 843 C THR A 55 -4.036 -4.005 8.193 1.00 10.00 C ATOM 844 O THR A 55 -3.044 -4.107 8.912 1.00 10.00 O ATOM 845 CB THR A 55 -5.222 -1.810 7.856 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.544 -0.794 6.935 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.620 -1.111 9.070 1.00 10.00 C ATOM 0 H THR A 55 -5.503 -2.896 5.645 1.00 10.00 H new ATOM 0 HA THR A 55 -3.239 -2.283 7.199 1.00 10.00 H new ATOM 0 HB THR A 55 -6.112 -2.385 8.110 1.00 10.00 H new ATOM 0 HG1 THR A 55 -5.831 -1.198 6.090 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.346 -0.412 9.484 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.359 -1.853 9.825 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.724 -0.568 8.770 1.00 10.00 H new ATOM 855 N GLU A 56 -5.014 -4.917 8.165 1.00 10.00 N ATOM 856 CA GLU A 56 -5.012 -6.129 8.949 1.00 10.00 C ATOM 857 C GLU A 56 -3.773 -6.914 8.546 1.00 10.00 C ATOM 858 O GLU A 56 -2.898 -7.116 9.368 1.00 10.00 O ATOM 859 CB GLU A 56 -6.322 -6.886 8.691 1.00 10.00 C ATOM 860 CG GLU A 56 -6.461 -8.144 9.554 1.00 10.00 C ATOM 861 CD GLU A 56 -7.800 -8.822 9.295 1.00 10.00 C ATOM 862 OE1 GLU A 56 -7.986 -9.271 8.144 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.620 -8.848 10.237 1.00 10.00 O ATOM 0 H GLU A 56 -5.843 -4.818 7.578 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.968 -5.943 10.022 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -7.164 -6.222 8.886 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.374 -7.165 7.639 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.648 -8.835 9.333 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -6.378 -7.880 10.608 1.00 10.00 H new ATOM 870 N ASN A 57 -3.660 -7.276 7.267 1.00 10.00 N ATOM 871 CA ASN A 57 -2.543 -8.056 6.740 1.00 10.00 C ATOM 872 C ASN A 57 -1.183 -7.444 7.123 1.00 10.00 C ATOM 873 O ASN A 57 -0.264 -8.134 7.557 1.00 10.00 O ATOM 874 CB ASN A 57 -2.716 -8.192 5.221 1.00 10.00 C ATOM 875 CG ASN A 57 -1.902 -9.350 4.653 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.861 -9.716 5.182 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.376 -9.959 3.572 1.00 10.00 N ATOM 0 H ASN A 57 -4.353 -7.031 6.559 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.550 -9.050 7.188 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.770 -8.342 4.989 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.412 -7.264 4.737 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.870 -10.747 3.168 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.246 -9.638 3.146 1.00 10.00 H new ATOM 884 N PHE A 58 -1.063 -6.121 6.995 1.00 10.00 N ATOM 885 CA PHE A 58 0.119 -5.375 7.398 1.00 10.00 C ATOM 886 C PHE A 58 0.441 -5.619 8.879 1.00 10.00 C ATOM 887 O PHE A 58 1.536 -6.078 9.199 1.00 10.00 O ATOM 888 CB PHE A 58 -0.105 -3.889 7.076 1.00 10.00 C ATOM 889 CG PHE A 58 1.052 -2.947 7.349 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.247 -3.082 6.619 1.00 10.00 C ATOM 891 CD2 PHE A 58 0.847 -1.802 8.141 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.249 -2.100 6.714 1.00 10.00 C ATOM 893 CE2 PHE A 58 1.834 -0.801 8.202 1.00 10.00 C ATOM 894 CZ PHE A 58 3.055 -0.972 7.528 1.00 10.00 C ATOM 0 H PHE A 58 -1.799 -5.534 6.602 1.00 10.00 H new ATOM 0 HA PHE A 58 0.991 -5.719 6.841 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.369 -3.806 6.022 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.966 -3.544 7.648 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.395 -3.943 5.984 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -0.069 -1.691 8.703 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.169 -2.213 6.160 1.00 10.00 H new ATOM 0 HE2 PHE A 58 1.653 0.101 8.768 1.00 10.00 H new ATOM 0 HZ PHE A 58 3.841 -0.239 7.635 1.00 10.00 H new ATOM 904 N GLU A 59 -0.500 -5.325 9.780 1.00 10.00 N ATOM 905 CA GLU A 59 -0.267 -5.420 11.220 1.00 10.00 C ATOM 906 C GLU A 59 0.021 -6.864 11.633 1.00 10.00 C ATOM 907 O GLU A 59 0.988 -7.163 12.328 1.00 10.00 O ATOM 908 CB GLU A 59 -1.491 -4.875 11.971 1.00 10.00 C ATOM 909 CG GLU A 59 -1.119 -4.453 13.399 1.00 10.00 C ATOM 910 CD GLU A 59 -0.272 -3.193 13.376 1.00 10.00 C ATOM 911 OE1 GLU A 59 -0.855 -2.110 13.167 1.00 10.00 O ATOM 912 OE2 GLU A 59 0.973 -3.289 13.419 1.00 10.00 O ATOM 0 H GLU A 59 -1.440 -5.016 9.532 1.00 10.00 H new ATOM 0 HA GLU A 59 0.608 -4.823 11.477 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.902 -4.022 11.432 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -2.270 -5.637 12.005 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -2.024 -4.280 13.981 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -0.572 -5.257 13.892 1.00 10.00 H new ATOM 919 N ASP A 60 -0.861 -7.751 11.182 1.00 10.00 N ATOM 920 CA ASP A 60 -0.778 -9.200 11.238 1.00 10.00 C ATOM 921 C ASP A 60 0.662 -9.660 10.979 1.00 10.00 C ATOM 922 O ASP A 60 1.282 -10.299 11.827 1.00 10.00 O ATOM 923 CB ASP A 60 -1.749 -9.779 10.200 1.00 10.00 C ATOM 924 CG ASP A 60 -1.685 -11.295 10.203 1.00 10.00 C ATOM 925 OD1 ASP A 60 -0.819 -11.809 9.462 1.00 10.00 O ATOM 926 OD2 ASP A 60 -2.476 -11.907 10.950 1.00 10.00 O ATOM 0 H ASP A 60 -1.723 -7.445 10.731 1.00 10.00 H new ATOM 0 HA ASP A 60 -1.057 -9.559 12.229 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.765 -9.451 10.421 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.500 -9.400 9.209 1.00 10.00 H new ATOM 931 N HIS A 61 1.231 -9.254 9.839 1.00 10.00 N ATOM 932 CA HIS A 61 2.611 -9.552 9.472 1.00 10.00 C ATOM 933 C HIS A 61 3.628 -8.633 10.180 1.00 10.00 C ATOM 934 O HIS A 61 4.709 -8.376 9.648 1.00 10.00 O ATOM 935 CB HIS A 61 2.744 -9.467 7.944 1.00 10.00 C ATOM 936 CG HIS A 61 2.048 -10.559 7.166 1.00 10.00 C ATOM 937 ND1 HIS A 61 0.920 -11.269 7.521 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.449 -11.022 5.943 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.657 -12.130 6.524 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.568 -12.026 5.539 1.00 10.00 N ATOM 0 H HIS A 61 0.736 -8.702 9.139 1.00 10.00 H new ATOM 0 HA HIS A 61 2.847 -10.562 9.808 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.351 -8.505 7.616 1.00 10.00 H new ATOM 0 HB3 HIS A 61 3.803 -9.482 7.688 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.384 -11.160 8.382 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.303 -10.670 5.384 1.00 10.00 H new ATOM 0 HE1 HIS A 61 -0.177 -12.816 6.514 1.00 10.00 H new ATOM 948 N GLY A 62 3.324 -8.145 11.385 1.00 10.00 N ATOM 949 CA GLY A 62 4.223 -7.364 12.221 1.00 10.00 C ATOM 950 C GLY A 62 4.447 -5.956 11.676 1.00 10.00 C ATOM 951 O GLY A 62 3.941 -4.982 12.229 1.00 10.00 O ATOM 0 H GLY A 62 2.411 -8.291 11.816 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.814 -7.300 13.229 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.181 -7.878 12.298 1.00 10.00 H new ATOM 955 N HIS A 63 5.241 -5.859 10.608 1.00 10.00 N ATOM 956 CA HIS A 63 5.649 -4.617 9.966 1.00 10.00 C ATOM 957 C HIS A 63 6.160 -3.566 10.951 1.00 10.00 C ATOM 958 O HIS A 63 5.425 -2.689 11.424 1.00 10.00 O ATOM 959 CB HIS A 63 4.556 -4.125 9.030 1.00 10.00 C ATOM 960 CG HIS A 63 4.529 -4.987 7.799 1.00 10.00 C ATOM 961 ND1 HIS A 63 3.725 -6.075 7.570 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.383 -4.875 6.741 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.041 -6.562 6.358 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.052 -5.860 5.812 1.00 10.00 N ATOM 0 H HIS A 63 5.632 -6.682 10.150 1.00 10.00 H new ATOM 0 HA HIS A 63 6.523 -4.825 9.348 1.00 10.00 H new ATOM 0 HB2 HIS A 63 3.589 -4.158 9.532 1.00 10.00 H new ATOM 0 HB3 HIS A 63 4.737 -3.086 8.756 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.017 -6.446 8.204 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.177 -4.150 6.641 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.551 -7.401 5.887 1.00 10.00 H new ATOM 972 N SER A 64 7.462 -3.687 11.217 1.00 10.00 N ATOM 973 CA SER A 64 8.242 -2.927 12.170 1.00 10.00 C ATOM 974 C SER A 64 8.264 -1.426 11.866 1.00 10.00 C ATOM 975 O SER A 64 7.764 -0.955 10.842 1.00 10.00 O ATOM 976 CB SER A 64 9.669 -3.500 12.176 1.00 10.00 C ATOM 977 OG SER A 64 9.628 -4.900 12.384 1.00 10.00 O ATOM 0 H SER A 64 8.034 -4.375 10.728 1.00 10.00 H new ATOM 0 HA SER A 64 7.778 -3.022 13.152 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.162 -3.279 11.230 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.257 -3.025 12.961 1.00 10.00 H new ATOM 0 HG SER A 64 10.540 -5.257 12.385 1.00 10.00 H new ATOM 983 N THR A 65 8.899 -0.681 12.772 1.00 10.00 N ATOM 984 CA THR A 65 9.146 0.743 12.679 1.00 10.00 C ATOM 985 C THR A 65 9.540 1.145 11.268 1.00 10.00 C ATOM 986 O THR A 65 8.882 1.972 10.666 1.00 10.00 O ATOM 987 CB THR A 65 10.269 1.083 13.675 1.00 10.00 C ATOM 988 OG1 THR A 65 11.193 0.004 13.749 1.00 10.00 O ATOM 989 CG2 THR A 65 9.681 1.279 15.074 1.00 10.00 C ATOM 0 H THR A 65 9.271 -1.084 13.632 1.00 10.00 H new ATOM 0 HA THR A 65 8.238 1.295 12.920 1.00 10.00 H new ATOM 0 HB THR A 65 10.765 1.992 13.334 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.776 0.018 12.961 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.481 1.519 15.774 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.959 2.095 15.054 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.184 0.362 15.392 1.00 10.00 H new ATOM 997 N ASP A 66 10.600 0.567 10.730 1.00 10.00 N ATOM 998 CA ASP A 66 11.234 1.004 9.500 1.00 10.00 C ATOM 999 C ASP A 66 10.287 0.833 8.306 1.00 10.00 C ATOM 1000 O ASP A 66 10.256 1.678 7.415 1.00 10.00 O ATOM 1001 CB ASP A 66 12.541 0.208 9.353 1.00 10.00 C ATOM 1002 CG ASP A 66 13.421 0.290 10.607 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.905 -0.086 11.691 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.576 0.736 10.463 1.00 10.00 O ATOM 0 H ASP A 66 11.056 -0.243 11.150 1.00 10.00 H new ATOM 0 HA ASP A 66 11.468 2.068 9.530 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.306 -0.836 9.145 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.099 0.586 8.496 1.00 10.00 H new ATOM 1009 N ALA A 67 9.461 -0.220 8.306 1.00 10.00 N ATOM 1010 CA ALA A 67 8.364 -0.369 7.369 1.00 10.00 C ATOM 1011 C ALA A 67 7.406 0.800 7.565 1.00 10.00 C ATOM 1012 O ALA A 67 7.083 1.497 6.615 1.00 10.00 O ATOM 1013 CB ALA A 67 7.648 -1.707 7.579 1.00 10.00 C ATOM 0 H ALA A 67 9.544 -0.994 8.965 1.00 10.00 H new ATOM 0 HA ALA A 67 8.744 -0.365 6.348 1.00 10.00 H new ATOM 0 HB1 ALA A 67 6.829 -1.797 6.866 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.353 -2.525 7.428 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.252 -1.752 8.594 1.00 10.00 H new ATOM 1019 N ARG A 68 6.982 1.032 8.808 1.00 10.00 N ATOM 1020 CA ARG A 68 6.157 2.170 9.196 1.00 10.00 C ATOM 1021 C ARG A 68 6.700 3.499 8.620 1.00 10.00 C ATOM 1022 O ARG A 68 5.992 4.203 7.898 1.00 10.00 O ATOM 1023 CB ARG A 68 6.019 2.182 10.735 1.00 10.00 C ATOM 1024 CG ARG A 68 4.588 1.897 11.196 1.00 10.00 C ATOM 1025 CD ARG A 68 4.308 0.387 11.172 1.00 10.00 C ATOM 1026 NE ARG A 68 2.862 0.146 11.075 1.00 10.00 N ATOM 1027 CZ ARG A 68 2.178 -0.899 11.568 1.00 10.00 C ATOM 1028 NH1 ARG A 68 2.804 -1.983 12.039 1.00 10.00 N ATOM 1029 NH2 ARG A 68 0.842 -0.810 11.596 1.00 10.00 N ATOM 0 H ARG A 68 7.210 0.417 9.589 1.00 10.00 H new ATOM 0 HA ARG A 68 5.161 2.066 8.766 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.690 1.437 11.163 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.334 3.153 11.118 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.440 2.285 12.204 1.00 10.00 H new ATOM 0 HG3 ARG A 68 3.881 2.415 10.548 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.819 -0.073 10.326 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.703 -0.079 12.075 1.00 10.00 H new ATOM 0 HE ARG A 68 2.317 0.851 10.578 1.00 10.00 H new ATOM 0 HH11 ARG A 68 3.823 -2.028 12.029 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.262 -2.764 12.409 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.380 0.031 11.250 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.287 -1.583 11.963 1.00 10.00 H new ATOM 1043 N GLU A 69 7.957 3.837 8.922 1.00 10.00 N ATOM 1044 CA GLU A 69 8.706 4.959 8.378 1.00 10.00 C ATOM 1045 C GLU A 69 8.568 4.991 6.855 1.00 10.00 C ATOM 1046 O GLU A 69 8.155 5.996 6.270 1.00 10.00 O ATOM 1047 CB GLU A 69 10.181 4.827 8.802 1.00 10.00 C ATOM 1048 CG GLU A 69 10.428 4.900 10.317 1.00 10.00 C ATOM 1049 CD GLU A 69 9.727 6.067 10.990 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.811 7.203 10.468 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.005 5.844 11.989 1.00 10.00 O ATOM 0 H GLU A 69 8.506 3.299 9.593 1.00 10.00 H new ATOM 0 HA GLU A 69 8.311 5.897 8.767 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.567 3.877 8.431 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.755 5.616 8.317 1.00 10.00 H new ATOM 0 HG2 GLU A 69 10.092 3.971 10.777 1.00 10.00 H new ATOM 0 HG3 GLU A 69 11.500 4.977 10.499 1.00 10.00 H new ATOM 1058 N LEU A 70 8.883 3.863 6.218 1.00 10.00 N ATOM 1059 CA LEU A 70 8.729 3.725 4.782 1.00 10.00 C ATOM 1060 C LEU A 70 7.324 4.136 4.323 1.00 10.00 C ATOM 1061 O LEU A 70 7.176 4.907 3.375 1.00 10.00 O ATOM 1062 CB LEU A 70 9.098 2.302 4.309 1.00 10.00 C ATOM 1063 CG LEU A 70 10.417 2.171 3.526 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.771 3.403 2.684 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.573 1.847 4.477 1.00 10.00 C ATOM 0 H LEU A 70 9.248 3.031 6.683 1.00 10.00 H new ATOM 0 HA LEU A 70 9.431 4.412 4.309 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.152 1.653 5.183 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.288 1.928 3.683 1.00 10.00 H new ATOM 0 HG LEU A 70 10.261 1.352 2.824 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.713 3.230 2.164 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.982 3.584 1.954 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.870 4.272 3.334 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.498 1.758 3.908 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.675 2.646 5.212 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.370 0.907 4.989 1.00 10.00 H new ATOM 1077 N SER A 71 6.278 3.688 5.018 1.00 10.00 N ATOM 1078 CA SER A 71 4.915 4.060 4.691 1.00 10.00 C ATOM 1079 C SER A 71 4.768 5.577 4.689 1.00 10.00 C ATOM 1080 O SER A 71 4.142 6.125 3.788 1.00 10.00 O ATOM 1081 CB SER A 71 3.935 3.395 5.668 1.00 10.00 C ATOM 1082 OG SER A 71 4.320 2.067 5.953 1.00 10.00 O ATOM 0 H SER A 71 6.358 3.061 5.818 1.00 10.00 H new ATOM 0 HA SER A 71 4.676 3.704 3.689 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.893 3.970 6.593 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.932 3.402 5.242 1.00 10.00 H new ATOM 0 HG SER A 71 5.020 2.069 6.639 1.00 10.00 H new ATOM 1088 N LYS A 72 5.359 6.263 5.674 1.00 10.00 N ATOM 1089 CA LYS A 72 5.279 7.721 5.739 1.00 10.00 C ATOM 1090 C LYS A 72 5.749 8.314 4.420 1.00 10.00 C ATOM 1091 O LYS A 72 5.028 9.081 3.790 1.00 10.00 O ATOM 1092 CB LYS A 72 6.115 8.308 6.884 1.00 10.00 C ATOM 1093 CG LYS A 72 5.849 7.603 8.209 1.00 10.00 C ATOM 1094 CD LYS A 72 6.636 8.299 9.326 1.00 10.00 C ATOM 1095 CE LYS A 72 6.538 7.515 10.641 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.594 7.923 11.588 1.00 10.00 N ATOM 0 H LYS A 72 5.893 5.834 6.430 1.00 10.00 H new ATOM 0 HA LYS A 72 4.237 7.979 5.929 1.00 10.00 H new ATOM 0 HB2 LYS A 72 7.174 8.228 6.637 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.892 9.370 6.988 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.783 7.621 8.435 1.00 10.00 H new ATOM 0 HG3 LYS A 72 6.143 6.555 8.141 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.682 8.395 9.033 1.00 10.00 H new ATOM 0 HD3 LYS A 72 6.252 9.309 9.471 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.559 7.678 11.092 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.621 6.447 10.438 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.821 7.128 12.219 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 8.446 8.200 11.060 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 7.260 8.729 12.154 1.00 10.00 H new ATOM 1110 N THR A 73 6.954 7.937 3.996 1.00 10.00 N ATOM 1111 CA THR A 73 7.479 8.468 2.740 1.00 10.00 C ATOM 1112 C THR A 73 6.605 8.040 1.550 1.00 10.00 C ATOM 1113 O THR A 73 6.419 8.820 0.620 1.00 10.00 O ATOM 1114 CB THR A 73 8.994 8.226 2.576 1.00 10.00 C ATOM 1115 OG1 THR A 73 9.514 9.036 1.542 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.391 6.786 2.279 1.00 10.00 C ATOM 0 H THR A 73 7.569 7.287 4.486 1.00 10.00 H new ATOM 0 HA THR A 73 7.405 9.555 2.768 1.00 10.00 H new ATOM 0 HB THR A 73 9.413 8.481 3.549 1.00 10.00 H new ATOM 0 HG1 THR A 73 10.476 8.873 1.451 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.475 6.720 2.181 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.060 6.142 3.094 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.923 6.464 1.349 1.00 10.00 H new ATOM 1124 N PHE A 74 6.019 6.836 1.591 1.00 10.00 N ATOM 1125 CA PHE A 74 5.129 6.361 0.533 1.00 10.00 C ATOM 1126 C PHE A 74 3.702 6.933 0.591 1.00 10.00 C ATOM 1127 O PHE A 74 2.887 6.564 -0.259 1.00 10.00 O ATOM 1128 CB PHE A 74 5.039 4.829 0.548 1.00 10.00 C ATOM 1129 CG PHE A 74 6.330 4.034 0.551 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.457 4.463 -0.176 1.00 10.00 C ATOM 1131 CD2 PHE A 74 6.348 2.775 1.180 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.623 3.676 -0.197 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.479 1.952 1.073 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.634 2.429 0.452 1.00 10.00 C ATOM 0 H PHE A 74 6.149 6.171 2.354 1.00 10.00 H new ATOM 0 HA PHE A 74 5.581 6.722 -0.391 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.467 4.538 1.429 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.461 4.521 -0.323 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.426 5.397 -0.718 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.490 2.442 1.746 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.506 4.028 -0.710 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.456 0.948 1.472 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.538 1.839 0.470 1.00 10.00 H new ATOM 1144 N ILE A 75 3.355 7.776 1.574 1.00 10.00 N ATOM 1145 CA ILE A 75 2.047 8.446 1.587 1.00 10.00 C ATOM 1146 C ILE A 75 1.762 9.137 0.249 1.00 10.00 C ATOM 1147 O ILE A 75 2.620 9.835 -0.285 1.00 10.00 O ATOM 1148 CB ILE A 75 1.931 9.457 2.752 1.00 10.00 C ATOM 1149 CG1 ILE A 75 1.499 8.785 4.060 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.994 10.647 2.469 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.082 8.204 4.063 1.00 10.00 C ATOM 0 H ILE A 75 3.956 8.009 2.364 1.00 10.00 H new ATOM 0 HA ILE A 75 1.296 7.671 1.741 1.00 10.00 H new ATOM 0 HB ILE A 75 2.941 9.853 2.855 1.00 10.00 H new ATOM 0 HG12 ILE A 75 2.202 7.984 4.287 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.576 9.514 4.866 1.00 10.00 H new ATOM 0 HG21 ILE A 75 0.971 11.306 3.337 1.00 10.00 H new ATOM 0 HG22 ILE A 75 1.359 11.200 1.603 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.012 10.278 2.266 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -0.124 7.752 5.033 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.638 9.000 3.873 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.002 7.446 3.285 1.00 10.00 H new ATOM 1163 N ILE A 76 0.531 8.985 -0.256 1.00 10.00 N ATOM 1164 CA ILE A 76 0.090 9.619 -1.499 1.00 10.00 C ATOM 1165 C ILE A 76 -1.308 10.245 -1.405 1.00 10.00 C ATOM 1166 O ILE A 76 -1.703 10.964 -2.323 1.00 10.00 O ATOM 1167 CB ILE A 76 0.117 8.584 -2.643 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.603 7.301 -2.187 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.553 8.303 -3.095 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.016 6.352 -3.312 1.00 10.00 C ATOM 0 H ILE A 76 -0.188 8.416 0.190 1.00 10.00 H new ATOM 0 HA ILE A 76 0.784 10.435 -1.697 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.410 8.987 -3.508 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.049 6.762 -1.500 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.494 7.583 -1.626 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.544 7.570 -3.902 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.010 9.227 -3.449 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.128 7.911 -2.256 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.514 5.480 -2.888 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.698 6.866 -3.990 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.131 6.032 -3.862 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.100 9.926 -0.375 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.553 9.978 -0.498 1.00 10.00 C ATOM 1184 C GLY A 77 -4.202 9.449 0.760 1.00 10.00 C ATOM 1185 O GLY A 77 -3.510 9.054 1.703 1.00 10.00 O ATOM 0 H GLY A 77 -1.760 9.633 0.541 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.874 11.004 -0.678 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.874 9.389 -1.357 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.534 9.411 0.729 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.377 8.892 1.779 1.00 10.00 C ATOM 1191 C GLU A 78 -7.606 8.219 1.182 1.00 10.00 C ATOM 1192 O GLU A 78 -8.035 8.582 0.095 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.847 10.052 2.655 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.682 10.904 3.194 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.065 11.980 2.298 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -5.614 12.340 1.230 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -3.996 12.453 2.742 1.00 10.00 O ATOM 0 H GLU A 78 -6.067 9.759 -0.068 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.810 8.168 2.363 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.519 10.687 2.078 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.421 9.658 3.494 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.028 11.394 4.104 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.883 10.221 3.484 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.188 7.273 1.907 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.340 6.504 1.450 1.00 10.00 C ATOM 1206 C LEU A 79 -10.600 7.354 1.556 1.00 10.00 C ATOM 1207 O LEU A 79 -10.928 7.834 2.638 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.475 5.251 2.313 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.316 4.125 1.699 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -10.981 3.358 2.837 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.445 4.530 0.757 1.00 10.00 C ATOM 0 H LEU A 79 -7.870 7.014 2.841 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.202 6.213 0.409 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.478 4.865 2.524 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.916 5.533 3.269 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.603 3.561 1.098 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.586 2.550 2.426 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.215 2.941 3.491 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -11.617 4.034 3.408 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.956 3.637 0.397 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -12.154 5.164 1.290 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.033 5.079 -0.090 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.297 7.550 0.437 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.358 8.526 0.340 1.00 10.00 C ATOM 1225 C HIS A 80 -13.628 8.155 1.117 1.00 10.00 C ATOM 1226 O HIS A 80 -14.327 7.245 0.705 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.711 8.786 -1.119 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.573 10.005 -1.255 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -14.947 10.058 -1.188 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.098 11.275 -1.112 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.287 11.347 -1.013 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.193 12.127 -0.955 1.00 10.00 N ATOM 0 H HIS A 80 -11.134 7.030 -0.425 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.964 9.430 0.805 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -11.798 8.915 -1.700 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.231 7.921 -1.531 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.059 11.570 -1.119 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.302 11.707 -0.930 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.168 13.138 -0.823 1.00 10.00 H new