USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 748 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 9 HIS : no HD1:sc= -0.965 K(o=-0.96,f=-2) USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= -0.297 F(o=-4.7,f=-1.9) USER MOD Set 2.2: A 69 GLN : amide:sc= -1.62! C(o=-1.9!,f=-3.7!) USER MOD Set 3.1: A 34 LYS NZ :NH3+ 156:sc= -2 (180deg=-2.05) USER MOD Set 3.2: A 79 ASN : amide:sc= -1.56 K(o=-3.6,f=-7.1!) USER MOD Single : A 6 TYR OH : rot 171:sc= -0.916! USER MOD Single : A 10 THR OG1 : rot -12:sc= -0.721 USER MOD Single : A 14 GLN : amide:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 133:sc= -0.137 (180deg=-0.547) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= -0.153 (180deg=-0.259) USER MOD Single : A 21 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.5!) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc=-0.00337 (180deg=-0.161) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 142:sc= -0.134 (180deg=-1.76) USER MOD Single : A 88 THR OG1 : rot -61:sc= 1.08 USER MOD Single : A 105 SER OG : rot 180:sc= -0.926 USER MOD Single : A 111 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=-0.14) USER MOD Single : A 116 SER OG : rot 86:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.920 8.021 -9.324 1.00 0.00 N ATOM 15 CA ILE A 3 -0.439 7.615 -8.010 1.00 0.00 C ATOM 16 C ILE A 3 0.230 6.245 -8.072 1.00 0.00 C ATOM 17 O ILE A 3 0.294 5.626 -9.134 1.00 0.00 O ATOM 18 CB ILE A 3 -1.583 7.595 -6.974 1.00 0.00 C ATOM 19 CG1 ILE A 3 -2.527 6.415 -7.216 1.00 0.00 C ATOM 20 CG2 ILE A 3 -2.356 8.905 -7.024 1.00 0.00 C ATOM 21 CD1 ILE A 3 -3.211 6.453 -8.565 1.00 0.00 C ATOM 0 HA ILE A 3 0.299 8.352 -7.694 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.143 7.477 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.963 5.486 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.286 6.401 -6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.161 8.881 -6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.684 9.733 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.778 9.041 -8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.864 5.586 -8.666 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.803 7.365 -8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.460 6.435 -9.355 1.00 0.00 H new ATOM 33 N GLU A 4 0.741 5.776 -6.935 1.00 0.00 N ATOM 34 CA GLU A 4 1.411 4.481 -6.887 1.00 0.00 C ATOM 35 C GLU A 4 1.210 3.783 -5.544 1.00 0.00 C ATOM 36 O GLU A 4 0.820 4.406 -4.552 1.00 0.00 O ATOM 37 CB GLU A 4 2.907 4.653 -7.157 1.00 0.00 C ATOM 38 CG GLU A 4 3.258 4.692 -8.636 1.00 0.00 C ATOM 39 CD GLU A 4 4.108 5.895 -9.003 1.00 0.00 C ATOM 40 OE1 GLU A 4 3.574 7.024 -8.992 1.00 0.00 O ATOM 41 OE2 GLU A 4 5.306 5.706 -9.304 1.00 0.00 O ATOM 0 H GLU A 4 0.704 6.269 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 4 0.965 3.855 -7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.249 5.575 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.449 3.834 -6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.792 3.780 -8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.340 4.708 -9.223 1.00 0.00 H new ATOM 48 N TRP A 5 1.494 2.484 -5.525 1.00 0.00 N ATOM 49 CA TRP A 5 1.363 1.682 -4.316 1.00 0.00 C ATOM 50 C TRP A 5 2.700 1.592 -3.589 1.00 0.00 C ATOM 51 O TRP A 5 3.732 1.322 -4.201 1.00 0.00 O ATOM 52 CB TRP A 5 0.865 0.276 -4.660 1.00 0.00 C ATOM 53 CG TRP A 5 -0.581 0.228 -5.050 1.00 0.00 C ATOM 54 CD1 TRP A 5 -1.108 0.479 -6.284 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.688 -0.097 -4.200 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.473 0.328 -6.255 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.853 -0.024 -4.986 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.806 -0.443 -2.852 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.119 -0.285 -4.468 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.063 -0.703 -2.338 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.204 -0.623 -3.145 1.00 0.00 C ATOM 0 H TRP A 5 1.818 1.963 -6.340 1.00 0.00 H new ATOM 0 HA TRP A 5 0.637 2.165 -3.662 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.466 -0.123 -5.477 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.022 -0.376 -3.801 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.535 0.756 -7.156 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.101 0.457 -7.048 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.931 -0.506 -2.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.001 -0.223 -5.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.166 -0.972 -1.297 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.172 -0.833 -2.714 1.00 0.00 H new ATOM 72 N TYR A 6 2.675 1.820 -2.281 1.00 0.00 N ATOM 73 CA TYR A 6 3.887 1.763 -1.474 1.00 0.00 C ATOM 74 C TYR A 6 3.773 0.687 -0.402 1.00 0.00 C ATOM 75 O TYR A 6 2.850 0.704 0.414 1.00 0.00 O ATOM 76 CB TYR A 6 4.160 3.123 -0.831 1.00 0.00 C ATOM 77 CG TYR A 6 4.881 4.086 -1.747 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.196 4.777 -2.739 1.00 0.00 C ATOM 79 CD2 TYR A 6 6.247 4.300 -1.622 1.00 0.00 C ATOM 80 CE1 TYR A 6 4.852 5.654 -3.580 1.00 0.00 C ATOM 81 CE2 TYR A 6 6.911 5.176 -2.460 1.00 0.00 C ATOM 82 CZ TYR A 6 6.209 5.851 -3.437 1.00 0.00 C ATOM 83 OH TYR A 6 6.866 6.725 -4.276 1.00 0.00 O ATOM 0 H TYR A 6 1.829 2.046 -1.757 1.00 0.00 H new ATOM 0 HA TYR A 6 4.721 1.508 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.214 3.567 -0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.754 2.977 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.133 4.626 -2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.800 3.774 -0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.305 6.183 -4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.974 5.331 -2.350 1.00 0.00 H new ATOM 0 HH TYR A 6 7.782 6.860 -3.955 1.00 0.00 H new ATOM 93 N ALA A 7 4.712 -0.253 -0.412 1.00 0.00 N ATOM 94 CA ALA A 7 4.714 -1.342 0.556 1.00 0.00 C ATOM 95 C ALA A 7 5.726 -1.098 1.668 1.00 0.00 C ATOM 96 O ALA A 7 6.883 -0.770 1.410 1.00 0.00 O ATOM 97 CB ALA A 7 5.003 -2.664 -0.141 1.00 0.00 C ATOM 0 H ALA A 7 5.482 -0.282 -1.081 1.00 0.00 H new ATOM 0 HA ALA A 7 3.725 -1.387 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.002 -3.470 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.236 -2.855 -0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.979 -2.615 -0.624 1.00 0.00 H new ATOM 103 N VAL A 8 5.282 -1.267 2.910 1.00 0.00 N ATOM 104 CA VAL A 8 6.151 -1.075 4.066 1.00 0.00 C ATOM 105 C VAL A 8 6.304 -2.373 4.849 1.00 0.00 C ATOM 106 O VAL A 8 5.480 -3.279 4.729 1.00 0.00 O ATOM 107 CB VAL A 8 5.612 0.018 5.007 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.653 0.375 6.059 1.00 0.00 C ATOM 109 CG2 VAL A 8 5.193 1.252 4.219 1.00 0.00 C ATOM 0 H VAL A 8 4.326 -1.536 3.141 1.00 0.00 H new ATOM 0 HA VAL A 8 7.122 -0.761 3.684 1.00 0.00 H new ATOM 0 HB VAL A 8 4.730 -0.371 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.256 1.149 6.716 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.895 -0.511 6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.554 0.743 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.816 2.011 4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.053 1.647 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.410 0.982 3.510 1.00 0.00 H new ATOM 119 N HIS A 9 7.360 -2.459 5.647 1.00 0.00 N ATOM 120 CA HIS A 9 7.618 -3.653 6.445 1.00 0.00 C ATOM 121 C HIS A 9 7.041 -3.508 7.851 1.00 0.00 C ATOM 122 O HIS A 9 7.222 -2.481 8.504 1.00 0.00 O ATOM 123 CB HIS A 9 9.121 -3.926 6.522 1.00 0.00 C ATOM 124 CG HIS A 9 9.671 -4.594 5.299 1.00 0.00 C ATOM 125 ND1 HIS A 9 10.207 -5.864 5.312 1.00 0.00 N ATOM 126 CD2 HIS A 9 9.763 -4.160 4.020 1.00 0.00 C ATOM 127 CE1 HIS A 9 10.607 -6.183 4.093 1.00 0.00 C ATOM 128 NE2 HIS A 9 10.348 -5.166 3.292 1.00 0.00 N ATOM 0 H HIS A 9 8.052 -1.718 5.760 1.00 0.00 H new ATOM 0 HA HIS A 9 7.127 -4.496 5.958 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.646 -2.984 6.678 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.324 -4.552 7.391 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.437 -3.202 3.643 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.067 -7.116 3.802 1.00 0.00 H new ATOM 0 HE2 HIS A 9 10.550 -5.133 2.293 1.00 0.00 H new ATOM 137 N THR A 10 6.348 -4.546 8.309 1.00 0.00 N ATOM 138 CA THR A 10 5.747 -4.537 9.637 1.00 0.00 C ATOM 139 C THR A 10 5.796 -5.927 10.263 1.00 0.00 C ATOM 140 O THR A 10 6.337 -6.864 9.677 1.00 0.00 O ATOM 141 CB THR A 10 4.301 -4.046 9.562 1.00 0.00 C ATOM 142 OG1 THR A 10 3.485 -4.988 8.886 1.00 0.00 O ATOM 143 CG2 THR A 10 4.155 -2.719 8.850 1.00 0.00 C ATOM 0 H THR A 10 6.189 -5.403 7.780 1.00 0.00 H new ATOM 0 HA THR A 10 6.320 -3.855 10.265 1.00 0.00 H new ATOM 0 HB THR A 10 3.985 -3.921 10.598 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.052 -5.652 8.440 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.104 -2.429 8.832 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.732 -1.959 9.376 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.523 -2.812 7.828 1.00 0.00 H new ATOM 151 N LEU A 11 5.228 -6.054 11.460 1.00 0.00 N ATOM 152 CA LEU A 11 5.211 -7.329 12.167 1.00 0.00 C ATOM 153 C LEU A 11 3.965 -8.137 11.814 1.00 0.00 C ATOM 154 O LEU A 11 2.870 -7.587 11.680 1.00 0.00 O ATOM 155 CB LEU A 11 5.271 -7.099 13.677 1.00 0.00 C ATOM 156 CG LEU A 11 5.961 -8.208 14.477 1.00 0.00 C ATOM 157 CD1 LEU A 11 6.869 -7.615 15.543 1.00 0.00 C ATOM 158 CD2 LEU A 11 4.928 -9.131 15.106 1.00 0.00 C ATOM 0 H LEU A 11 4.774 -5.289 11.959 1.00 0.00 H new ATOM 0 HA LEU A 11 6.088 -7.897 11.856 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.791 -6.160 13.865 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.254 -6.981 14.051 1.00 0.00 H new ATOM 0 HG LEU A 11 6.576 -8.794 13.793 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.350 -8.419 16.100 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.631 -6.996 15.069 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.278 -7.004 16.225 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.435 -9.913 15.671 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.287 -8.557 15.776 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.321 -9.585 14.323 1.00 0.00 H new ATOM 170 N VAL A 12 4.140 -9.447 11.667 1.00 0.00 N ATOM 171 CA VAL A 12 3.033 -10.335 11.334 1.00 0.00 C ATOM 172 C VAL A 12 1.955 -10.286 12.410 1.00 0.00 C ATOM 173 O VAL A 12 2.226 -10.526 13.586 1.00 0.00 O ATOM 174 CB VAL A 12 3.511 -11.790 11.160 1.00 0.00 C ATOM 175 CG1 VAL A 12 4.118 -12.316 12.453 1.00 0.00 C ATOM 176 CG2 VAL A 12 2.364 -12.680 10.701 1.00 0.00 C ATOM 0 H VAL A 12 5.039 -9.917 11.774 1.00 0.00 H new ATOM 0 HA VAL A 12 2.616 -9.987 10.389 1.00 0.00 H new ATOM 0 HB VAL A 12 4.284 -11.806 10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.449 -13.344 12.308 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.970 -11.697 12.733 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.370 -12.284 13.245 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.722 -13.703 10.584 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.566 -12.657 11.443 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.982 -12.318 9.747 1.00 0.00 H new ATOM 186 N GLY A 13 0.731 -9.970 12.000 1.00 0.00 N ATOM 187 CA GLY A 13 -0.367 -9.891 12.945 1.00 0.00 C ATOM 188 C GLY A 13 -0.614 -8.473 13.420 1.00 0.00 C ATOM 189 O GLY A 13 -1.754 -8.088 13.679 1.00 0.00 O ATOM 0 H GLY A 13 0.480 -9.768 11.032 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.273 -10.279 12.480 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.152 -10.527 13.803 1.00 0.00 H new ATOM 193 N GLN A 14 0.458 -7.696 13.529 1.00 0.00 N ATOM 194 CA GLN A 14 0.357 -6.310 13.970 1.00 0.00 C ATOM 195 C GLN A 14 -0.052 -5.399 12.815 1.00 0.00 C ATOM 196 O GLN A 14 -0.508 -4.276 13.031 1.00 0.00 O ATOM 197 CB GLN A 14 1.689 -5.842 14.560 1.00 0.00 C ATOM 198 CG GLN A 14 1.541 -5.049 15.847 1.00 0.00 C ATOM 199 CD GLN A 14 2.858 -4.869 16.576 1.00 0.00 C ATOM 200 OE1 GLN A 14 3.355 -3.752 16.717 1.00 0.00 O ATOM 201 NE2 GLN A 14 3.430 -5.972 17.043 1.00 0.00 N ATOM 0 H GLN A 14 1.408 -8.003 13.318 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.412 -6.255 14.741 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.318 -6.712 14.750 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.207 -5.229 13.823 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.119 -4.070 15.620 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.833 -5.556 16.503 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.982 -6.877 16.903 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.318 -5.914 17.542 1.00 0.00 H new ATOM 210 N GLU A 15 0.115 -5.888 11.586 1.00 0.00 N ATOM 211 CA GLU A 15 -0.236 -5.121 10.392 1.00 0.00 C ATOM 212 C GLU A 15 -1.598 -4.448 10.546 1.00 0.00 C ATOM 213 O GLU A 15 -1.784 -3.300 10.142 1.00 0.00 O ATOM 214 CB GLU A 15 -0.244 -6.029 9.162 1.00 0.00 C ATOM 215 CG GLU A 15 0.987 -6.914 9.049 1.00 0.00 C ATOM 216 CD GLU A 15 1.644 -6.831 7.684 1.00 0.00 C ATOM 217 OE1 GLU A 15 0.926 -6.562 6.697 1.00 0.00 O ATOM 218 OE2 GLU A 15 2.872 -7.033 7.603 1.00 0.00 O ATOM 0 H GLU A 15 0.493 -6.815 11.392 1.00 0.00 H new ATOM 0 HA GLU A 15 0.517 -4.344 10.262 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.133 -6.660 9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.321 -5.412 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.709 -6.625 9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.706 -7.948 9.250 1.00 0.00 H new ATOM 225 N GLU A 16 -2.546 -5.169 11.136 1.00 0.00 N ATOM 226 CA GLU A 16 -3.889 -4.641 11.345 1.00 0.00 C ATOM 227 C GLU A 16 -3.847 -3.383 12.207 1.00 0.00 C ATOM 228 O GLU A 16 -4.599 -2.436 11.975 1.00 0.00 O ATOM 229 CB GLU A 16 -4.780 -5.696 12.004 1.00 0.00 C ATOM 230 CG GLU A 16 -5.298 -6.745 11.034 1.00 0.00 C ATOM 231 CD GLU A 16 -5.271 -8.145 11.618 1.00 0.00 C ATOM 232 OE1 GLU A 16 -5.896 -8.359 12.678 1.00 0.00 O ATOM 233 OE2 GLU A 16 -4.622 -9.026 11.017 1.00 0.00 O ATOM 0 H GLU A 16 -2.409 -6.120 11.478 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.307 -4.382 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.218 -6.191 12.796 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.628 -5.200 12.477 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.319 -6.495 10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.696 -6.723 10.125 1.00 0.00 H new ATOM 240 N LYS A 17 -2.963 -3.381 13.197 1.00 0.00 N ATOM 241 CA LYS A 17 -2.819 -2.240 14.093 1.00 0.00 C ATOM 242 C LYS A 17 -2.114 -1.086 13.387 1.00 0.00 C ATOM 243 O LYS A 17 -2.402 0.082 13.646 1.00 0.00 O ATOM 244 CB LYS A 17 -2.042 -2.642 15.349 1.00 0.00 C ATOM 245 CG LYS A 17 -2.929 -2.902 16.555 1.00 0.00 C ATOM 246 CD LYS A 17 -3.432 -4.336 16.580 1.00 0.00 C ATOM 247 CE LYS A 17 -2.330 -5.306 16.969 1.00 0.00 C ATOM 248 NZ LYS A 17 -1.787 -5.015 18.325 1.00 0.00 N ATOM 0 H LYS A 17 -2.334 -4.158 13.400 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.815 -1.910 14.387 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.461 -3.539 15.135 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.331 -1.853 15.595 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.372 -2.695 17.469 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.778 -2.218 16.538 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.258 -4.421 17.286 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.823 -4.603 15.598 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.717 -6.325 16.944 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.525 -5.253 16.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.724 -5.898 18.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.840 -4.594 18.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.418 -4.349 18.816 1.00 0.00 H new ATOM 262 N ALA A 18 -1.189 -1.424 12.494 1.00 0.00 N ATOM 263 CA ALA A 18 -0.442 -0.417 11.751 1.00 0.00 C ATOM 264 C ALA A 18 -1.362 0.369 10.823 1.00 0.00 C ATOM 265 O ALA A 18 -1.270 1.593 10.733 1.00 0.00 O ATOM 266 CB ALA A 18 0.679 -1.071 10.958 1.00 0.00 C ATOM 0 H ALA A 18 -0.939 -2.387 12.268 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.005 0.281 12.466 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.229 -0.307 10.408 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.356 -1.585 11.641 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.257 -1.790 10.256 1.00 0.00 H new ATOM 272 N LYS A 19 -2.247 -0.344 10.135 1.00 0.00 N ATOM 273 CA LYS A 19 -3.186 0.286 9.214 1.00 0.00 C ATOM 274 C LYS A 19 -4.173 1.171 9.967 1.00 0.00 C ATOM 275 O LYS A 19 -4.572 2.229 9.480 1.00 0.00 O ATOM 276 CB LYS A 19 -3.944 -0.778 8.418 1.00 0.00 C ATOM 277 CG LYS A 19 -4.484 -0.271 7.090 1.00 0.00 C ATOM 278 CD LYS A 19 -5.416 -1.284 6.446 1.00 0.00 C ATOM 279 CE LYS A 19 -6.875 -0.942 6.708 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.213 -1.023 8.155 1.00 0.00 N ATOM 0 H LYS A 19 -2.334 -1.358 10.198 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.617 0.910 8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.281 -1.623 8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.773 -1.149 9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.016 0.667 7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.654 -0.058 6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.235 -1.315 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.199 -2.279 6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.083 0.063 6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.514 -1.624 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.240 -0.917 8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.913 -1.945 8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.723 -0.264 8.669 1.00 0.00 H new ATOM 294 N ALA A 20 -4.560 0.733 11.161 1.00 0.00 N ATOM 295 CA ALA A 20 -5.498 1.485 11.984 1.00 0.00 C ATOM 296 C ALA A 20 -4.829 2.711 12.593 1.00 0.00 C ATOM 297 O ALA A 20 -5.302 3.835 12.426 1.00 0.00 O ATOM 298 CB ALA A 20 -6.072 0.597 13.076 1.00 0.00 C ATOM 0 H ALA A 20 -4.238 -0.140 11.580 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.312 1.826 11.345 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.771 1.172 13.683 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.594 -0.246 12.623 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.264 0.227 13.707 1.00 0.00 H new ATOM 304 N ASN A 21 -3.724 2.486 13.296 1.00 0.00 N ATOM 305 CA ASN A 21 -2.986 3.573 13.928 1.00 0.00 C ATOM 306 C ASN A 21 -2.502 4.577 12.886 1.00 0.00 C ATOM 307 O ASN A 21 -2.398 5.773 13.162 1.00 0.00 O ATOM 308 CB ASN A 21 -1.796 3.021 14.715 1.00 0.00 C ATOM 309 CG ASN A 21 -2.085 2.912 16.200 1.00 0.00 C ATOM 310 OD1 ASN A 21 -2.842 3.708 16.756 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.481 1.924 16.848 1.00 0.00 N ATOM 0 H ASN A 21 -3.320 1.561 13.442 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.659 4.085 14.616 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.531 2.038 14.326 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.932 3.667 14.562 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.636 1.800 17.849 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.862 1.288 16.346 1.00 0.00 H new ATOM 318 N LEU A 22 -2.211 4.083 11.687 1.00 0.00 N ATOM 319 CA LEU A 22 -1.739 4.936 10.602 1.00 0.00 C ATOM 320 C LEU A 22 -2.885 5.756 10.020 1.00 0.00 C ATOM 321 O LEU A 22 -2.829 6.985 9.991 1.00 0.00 O ATOM 322 CB LEU A 22 -1.093 4.090 9.504 1.00 0.00 C ATOM 323 CG LEU A 22 -0.616 4.871 8.278 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.606 5.708 8.621 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.310 3.923 7.128 1.00 0.00 C ATOM 0 H LEU A 22 -2.294 3.096 11.442 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.994 5.621 11.008 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.242 3.558 9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.810 3.336 9.179 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.415 5.543 7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.931 6.256 7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.353 6.413 9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.411 5.055 8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.028 4.496 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.472 3.226 7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.210 3.367 6.865 1.00 0.00 H new ATOM 337 N GLU A 23 -3.924 5.068 9.557 1.00 0.00 N ATOM 338 CA GLU A 23 -5.088 5.732 8.972 1.00 0.00 C ATOM 339 C GLU A 23 -5.573 6.875 9.859 1.00 0.00 C ATOM 340 O GLU A 23 -6.082 7.881 9.367 1.00 0.00 O ATOM 341 CB GLU A 23 -6.218 4.723 8.752 1.00 0.00 C ATOM 342 CG GLU A 23 -6.258 4.151 7.345 1.00 0.00 C ATOM 343 CD GLU A 23 -7.673 3.938 6.843 1.00 0.00 C ATOM 344 OE1 GLU A 23 -8.366 4.943 6.577 1.00 0.00 O ATOM 345 OE2 GLU A 23 -8.089 2.767 6.715 1.00 0.00 O ATOM 0 H GLU A 23 -3.985 4.050 9.575 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.790 6.150 8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.108 3.905 9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.172 5.206 8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.734 4.825 6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.723 3.201 7.327 1.00 0.00 H new ATOM 352 N LYS A 24 -5.410 6.712 11.167 1.00 0.00 N ATOM 353 CA LYS A 24 -5.829 7.733 12.120 1.00 0.00 C ATOM 354 C LYS A 24 -4.902 8.943 12.049 1.00 0.00 C ATOM 355 O LYS A 24 -5.356 10.088 12.096 1.00 0.00 O ATOM 356 CB LYS A 24 -5.842 7.162 13.541 1.00 0.00 C ATOM 357 CG LYS A 24 -7.228 6.775 14.029 1.00 0.00 C ATOM 358 CD LYS A 24 -7.221 6.431 15.510 1.00 0.00 C ATOM 359 CE LYS A 24 -8.518 5.762 15.934 1.00 0.00 C ATOM 360 NZ LYS A 24 -9.712 6.548 15.515 1.00 0.00 N ATOM 0 H LYS A 24 -4.991 5.884 11.591 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.838 8.052 11.861 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.195 6.285 13.577 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.418 7.899 14.223 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.921 7.597 13.848 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.591 5.921 13.458 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.382 5.770 15.727 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.071 7.339 16.094 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.570 4.764 15.500 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.526 5.639 17.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.560 6.164 15.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.587 7.543 15.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.823 6.487 14.483 1.00 0.00 H new ATOM 374 N ARG A 25 -3.605 8.683 11.930 1.00 0.00 N ATOM 375 CA ARG A 25 -2.616 9.751 11.846 1.00 0.00 C ATOM 376 C ARG A 25 -2.758 10.511 10.532 1.00 0.00 C ATOM 377 O ARG A 25 -2.630 11.734 10.492 1.00 0.00 O ATOM 378 CB ARG A 25 -1.203 9.180 11.970 1.00 0.00 C ATOM 379 CG ARG A 25 -0.924 8.533 13.317 1.00 0.00 C ATOM 380 CD ARG A 25 -0.376 9.538 14.314 1.00 0.00 C ATOM 381 NE ARG A 25 -1.396 10.490 14.747 1.00 0.00 N ATOM 382 CZ ARG A 25 -1.124 11.656 15.329 1.00 0.00 C ATOM 383 NH1 ARG A 25 0.134 12.016 15.551 1.00 0.00 N ATOM 384 NH2 ARG A 25 -2.112 12.462 15.690 1.00 0.00 N ATOM 0 H ARG A 25 -3.214 7.742 11.890 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.790 10.443 12.670 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.048 8.442 11.183 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.481 9.980 11.804 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.842 8.094 13.708 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.211 7.719 13.190 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.019 9.010 15.182 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.457 10.078 13.864 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.375 10.247 14.594 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.897 11.398 15.275 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.337 12.910 15.997 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.080 12.189 15.522 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.904 13.355 16.136 1.00 0.00 H new ATOM 398 N ILE A 26 -3.027 9.776 9.457 1.00 0.00 N ATOM 399 CA ILE A 26 -3.191 10.379 8.142 1.00 0.00 C ATOM 400 C ILE A 26 -4.413 11.290 8.112 1.00 0.00 C ATOM 401 O ILE A 26 -4.440 12.290 7.394 1.00 0.00 O ATOM 402 CB ILE A 26 -3.330 9.303 7.045 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.161 8.320 7.115 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.400 9.949 5.666 1.00 0.00 C ATOM 405 CD1 ILE A 26 -0.817 8.958 6.835 1.00 0.00 C ATOM 0 H ILE A 26 -3.136 8.762 9.473 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.296 10.969 7.944 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.257 8.755 7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.139 7.864 8.105 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.329 7.516 6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.498 9.174 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.262 10.614 5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.490 10.521 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.034 8.202 6.902 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.820 9.389 5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.627 9.743 7.567 1.00 0.00 H new ATOM 417 N LYS A 27 -5.425 10.940 8.900 1.00 0.00 N ATOM 418 CA LYS A 27 -6.650 11.727 8.965 1.00 0.00 C ATOM 419 C LYS A 27 -6.498 12.889 9.942 1.00 0.00 C ATOM 420 O LYS A 27 -7.112 13.942 9.772 1.00 0.00 O ATOM 421 CB LYS A 27 -7.827 10.845 9.385 1.00 0.00 C ATOM 422 CG LYS A 27 -9.164 11.566 9.371 1.00 0.00 C ATOM 423 CD LYS A 27 -9.531 12.083 10.753 1.00 0.00 C ATOM 424 CE LYS A 27 -10.754 12.985 10.703 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.413 13.101 12.034 1.00 0.00 N ATOM 0 H LYS A 27 -5.420 10.117 9.502 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.845 12.132 7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.881 9.984 8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.642 10.460 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.123 12.399 8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.941 10.888 9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.725 11.241 11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.689 12.633 11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.461 13.976 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.466 12.591 9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.242 13.724 11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.716 12.159 12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.742 13.501 12.720 1.00 0.00 H new ATOM 439 N ALA A 28 -5.673 12.691 10.965 1.00 0.00 N ATOM 440 CA ALA A 28 -5.437 13.722 11.970 1.00 0.00 C ATOM 441 C ALA A 28 -4.689 14.909 11.373 1.00 0.00 C ATOM 442 O ALA A 28 -5.040 16.063 11.614 1.00 0.00 O ATOM 443 CB ALA A 28 -4.665 13.146 13.145 1.00 0.00 C ATOM 0 H ALA A 28 -5.156 11.825 11.120 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.404 14.077 12.325 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.496 13.926 13.887 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.238 12.335 13.595 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.706 12.762 12.797 1.00 0.00 H new ATOM 449 N PHE A 29 -3.655 14.615 10.591 1.00 0.00 N ATOM 450 CA PHE A 29 -2.855 15.658 9.957 1.00 0.00 C ATOM 451 C PHE A 29 -3.551 16.193 8.709 1.00 0.00 C ATOM 452 O PHE A 29 -3.383 17.357 8.345 1.00 0.00 O ATOM 453 CB PHE A 29 -1.472 15.117 9.590 1.00 0.00 C ATOM 454 CG PHE A 29 -0.524 15.053 10.753 1.00 0.00 C ATOM 455 CD1 PHE A 29 -0.565 13.989 11.640 1.00 0.00 C ATOM 456 CD2 PHE A 29 0.409 16.057 10.960 1.00 0.00 C ATOM 457 CE1 PHE A 29 0.305 13.926 12.712 1.00 0.00 C ATOM 458 CE2 PHE A 29 1.283 15.999 12.031 1.00 0.00 C ATOM 459 CZ PHE A 29 1.230 14.933 12.906 1.00 0.00 C ATOM 0 H PHE A 29 -3.351 13.664 10.381 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.741 16.476 10.668 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.582 14.119 9.166 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.039 15.747 8.813 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.286 13.199 11.492 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.454 16.893 10.278 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.262 13.091 13.396 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.006 16.787 12.182 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.912 14.886 13.742 1.00 0.00 H new ATOM 469 N GLY A 30 -4.332 15.336 8.059 1.00 0.00 N ATOM 470 CA GLY A 30 -5.040 15.742 6.859 1.00 0.00 C ATOM 471 C GLY A 30 -4.286 15.386 5.594 1.00 0.00 C ATOM 472 O GLY A 30 -4.195 16.192 4.670 1.00 0.00 O ATOM 0 H GLY A 30 -4.487 14.368 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.020 15.266 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.209 16.818 6.887 1.00 0.00 H new ATOM 476 N LEU A 31 -3.741 14.174 5.555 1.00 0.00 N ATOM 477 CA LEU A 31 -2.986 13.712 4.396 1.00 0.00 C ATOM 478 C LEU A 31 -3.847 12.813 3.510 1.00 0.00 C ATOM 479 O LEU A 31 -3.336 11.927 2.825 1.00 0.00 O ATOM 480 CB LEU A 31 -1.734 12.958 4.845 1.00 0.00 C ATOM 481 CG LEU A 31 -0.990 13.584 6.028 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.390 12.505 6.917 1.00 0.00 C ATOM 483 CD2 LEU A 31 0.090 14.534 5.532 1.00 0.00 C ATOM 0 H LEU A 31 -3.808 13.494 6.313 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.687 14.585 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.018 11.940 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.048 12.887 4.001 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.704 14.154 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.134 12.971 7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.185 11.865 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.311 11.905 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.610 14.971 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.802 13.985 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.367 15.327 4.940 1.00 0.00 H new ATOM 495 N GLN A 32 -5.154 13.050 3.530 1.00 0.00 N ATOM 496 CA GLN A 32 -6.088 12.266 2.731 1.00 0.00 C ATOM 497 C GLN A 32 -5.924 12.559 1.240 1.00 0.00 C ATOM 498 O GLN A 32 -6.450 11.834 0.396 1.00 0.00 O ATOM 499 CB GLN A 32 -7.527 12.555 3.161 1.00 0.00 C ATOM 500 CG GLN A 32 -8.481 11.396 2.916 1.00 0.00 C ATOM 501 CD GLN A 32 -9.563 11.301 3.973 1.00 0.00 C ATOM 502 OE1 GLN A 32 -10.725 11.615 3.718 1.00 0.00 O ATOM 503 NE2 GLN A 32 -9.185 10.866 5.170 1.00 0.00 N ATOM 0 H GLN A 32 -5.591 13.780 4.092 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.867 11.212 2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.537 12.805 4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.889 13.432 2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.944 11.512 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.917 10.464 2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.210 10.616 5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.869 10.782 5.921 1.00 0.00 H new ATOM 512 N ASP A 33 -5.197 13.627 0.920 1.00 0.00 N ATOM 513 CA ASP A 33 -4.972 14.009 -0.468 1.00 0.00 C ATOM 514 C ASP A 33 -3.872 13.161 -1.101 1.00 0.00 C ATOM 515 O ASP A 33 -3.820 13.007 -2.320 1.00 0.00 O ATOM 516 CB ASP A 33 -4.605 15.491 -0.557 1.00 0.00 C ATOM 517 CG ASP A 33 -5.824 16.390 -0.557 1.00 0.00 C ATOM 518 OD1 ASP A 33 -6.729 16.165 0.275 1.00 0.00 O ATOM 519 OD2 ASP A 33 -5.877 17.318 -1.392 1.00 0.00 O ATOM 0 H ASP A 33 -4.755 14.241 1.604 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.897 13.835 -1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.963 15.754 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.028 15.666 -1.465 1.00 0.00 H new ATOM 524 N LYS A 34 -2.994 12.613 -0.265 1.00 0.00 N ATOM 525 CA LYS A 34 -1.899 11.781 -0.750 1.00 0.00 C ATOM 526 C LYS A 34 -2.281 10.305 -0.712 1.00 0.00 C ATOM 527 O LYS A 34 -2.234 9.616 -1.732 1.00 0.00 O ATOM 528 CB LYS A 34 -0.641 12.018 0.087 1.00 0.00 C ATOM 529 CG LYS A 34 0.230 13.149 -0.437 1.00 0.00 C ATOM 530 CD LYS A 34 1.066 13.767 0.672 1.00 0.00 C ATOM 531 CE LYS A 34 2.286 12.914 0.988 1.00 0.00 C ATOM 532 NZ LYS A 34 3.237 12.860 -0.156 1.00 0.00 N ATOM 0 H LYS A 34 -3.020 12.730 0.748 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.695 12.058 -1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.933 12.240 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.054 11.100 0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.886 12.771 -1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.400 13.915 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.385 14.766 0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.457 13.880 1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.794 13.318 1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.966 11.903 1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.191 12.641 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.936 12.121 -0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.249 13.780 -0.641 1.00 0.00 H new ATOM 546 N ILE A 35 -2.666 9.827 0.466 1.00 0.00 N ATOM 547 CA ILE A 35 -3.063 8.432 0.630 1.00 0.00 C ATOM 548 C ILE A 35 -4.496 8.221 0.155 1.00 0.00 C ATOM 549 O ILE A 35 -5.379 9.026 0.446 1.00 0.00 O ATOM 550 CB ILE A 35 -2.952 7.979 2.100 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.662 8.510 2.733 1.00 0.00 C ATOM 552 CG2 ILE A 35 -3.005 6.461 2.191 1.00 0.00 C ATOM 553 CD1 ILE A 35 -0.412 8.120 1.975 1.00 0.00 C ATOM 0 H ILE A 35 -2.712 10.383 1.320 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.382 7.834 0.025 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.797 8.390 2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.717 9.597 2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.588 8.138 3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.926 6.156 3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.949 6.105 1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.178 6.033 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.463 8.530 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.333 7.033 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.464 8.515 0.960 1.00 0.00 H new ATOM 565 N PHE A 36 -4.721 7.138 -0.582 1.00 0.00 N ATOM 566 CA PHE A 36 -6.052 6.834 -1.097 1.00 0.00 C ATOM 567 C PHE A 36 -6.430 5.385 -0.839 1.00 0.00 C ATOM 568 O PHE A 36 -7.388 5.097 -0.122 1.00 0.00 O ATOM 569 CB PHE A 36 -6.119 7.096 -2.601 1.00 0.00 C ATOM 570 CG PHE A 36 -5.479 8.384 -3.024 1.00 0.00 C ATOM 571 CD1 PHE A 36 -6.076 9.600 -2.733 1.00 0.00 C ATOM 572 CD2 PHE A 36 -4.283 8.375 -3.717 1.00 0.00 C ATOM 573 CE1 PHE A 36 -5.485 10.786 -3.129 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.689 9.555 -4.115 1.00 0.00 C ATOM 575 CZ PHE A 36 -4.290 10.763 -3.821 1.00 0.00 C ATOM 0 H PHE A 36 -4.003 6.459 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.754 7.484 -0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.635 6.272 -3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.164 7.102 -2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.011 9.622 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.808 7.433 -3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.957 11.729 -2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.755 9.534 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.827 11.688 -4.132 1.00 0.00 H new ATOM 585 N GLN A 37 -5.683 4.477 -1.454 1.00 0.00 N ATOM 586 CA GLN A 37 -5.955 3.055 -1.320 1.00 0.00 C ATOM 587 C GLN A 37 -5.010 2.388 -0.324 1.00 0.00 C ATOM 588 O GLN A 37 -3.876 2.828 -0.131 1.00 0.00 O ATOM 589 CB GLN A 37 -5.849 2.378 -2.688 1.00 0.00 C ATOM 590 CG GLN A 37 -7.173 1.844 -3.203 1.00 0.00 C ATOM 591 CD GLN A 37 -7.701 2.624 -4.389 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.294 2.222 -5.587 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -8.467 3.575 -4.232 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.886 4.701 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.968 2.941 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.449 3.092 -3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.135 1.557 -2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.052 0.799 -3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.908 1.873 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.754 3.849 -3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.815 4.089 -5.042 1.00 0.00 H new ATOM 602 N VAL A 38 -5.494 1.319 0.300 1.00 0.00 N ATOM 603 CA VAL A 38 -4.712 0.571 1.278 1.00 0.00 C ATOM 604 C VAL A 38 -5.281 -0.835 1.455 1.00 0.00 C ATOM 605 O VAL A 38 -6.341 -1.013 2.056 1.00 0.00 O ATOM 606 CB VAL A 38 -4.690 1.283 2.644 1.00 0.00 C ATOM 607 CG1 VAL A 38 -3.764 2.487 2.603 1.00 0.00 C ATOM 608 CG2 VAL A 38 -6.096 1.696 3.056 1.00 0.00 C ATOM 0 H VAL A 38 -6.432 0.949 0.144 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.692 0.509 0.899 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.309 0.585 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.761 2.977 3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.753 2.160 2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.112 3.188 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.059 2.197 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.509 2.376 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.728 0.811 3.130 1.00 0.00 H new ATOM 618 N LEU A 39 -4.579 -1.827 0.918 1.00 0.00 N ATOM 619 CA LEU A 39 -5.026 -3.214 1.008 1.00 0.00 C ATOM 620 C LEU A 39 -4.016 -4.076 1.758 1.00 0.00 C ATOM 621 O LEU A 39 -2.845 -3.713 1.885 1.00 0.00 O ATOM 622 CB LEU A 39 -5.253 -3.786 -0.392 1.00 0.00 C ATOM 623 CG LEU A 39 -6.623 -3.484 -1.002 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.719 -4.199 -0.229 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.876 -1.985 -1.028 1.00 0.00 C ATOM 0 H LEU A 39 -3.700 -1.698 0.417 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.964 -3.226 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.482 -3.395 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.121 -4.867 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.632 -3.851 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.687 -3.973 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.546 -5.275 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.712 -3.863 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.855 -1.789 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.848 -1.594 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.107 -1.497 -1.626 1.00 0.00 H new ATOM 637 N ILE A 40 -4.479 -5.222 2.246 1.00 0.00 N ATOM 638 CA ILE A 40 -3.624 -6.146 2.978 1.00 0.00 C ATOM 639 C ILE A 40 -3.237 -7.337 2.101 1.00 0.00 C ATOM 640 O ILE A 40 -4.092 -7.942 1.454 1.00 0.00 O ATOM 641 CB ILE A 40 -4.314 -6.664 4.254 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.732 -7.140 3.936 1.00 0.00 C ATOM 643 CG2 ILE A 40 -4.340 -5.579 5.319 1.00 0.00 C ATOM 644 CD1 ILE A 40 -6.406 -7.849 5.091 1.00 0.00 C ATOM 0 H ILE A 40 -5.445 -5.533 2.147 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.728 -5.595 3.262 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.745 -7.510 4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.337 -6.282 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.697 -7.812 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.831 -5.960 6.215 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.319 -5.283 5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.889 -4.715 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.408 -8.158 4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.823 -8.727 5.369 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.473 -7.173 5.943 1.00 0.00 H new ATOM 656 N PRO A 41 -1.939 -7.687 2.060 1.00 0.00 N ATOM 657 CA PRO A 41 -1.448 -8.808 1.248 1.00 0.00 C ATOM 658 C PRO A 41 -1.974 -10.159 1.725 1.00 0.00 C ATOM 659 O PRO A 41 -1.295 -10.873 2.465 1.00 0.00 O ATOM 660 CB PRO A 41 0.072 -8.735 1.419 1.00 0.00 C ATOM 661 CG PRO A 41 0.281 -8.000 2.695 1.00 0.00 C ATOM 662 CD PRO A 41 -0.849 -7.018 2.791 1.00 0.00 C ATOM 0 HA PRO A 41 -1.780 -8.729 0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.513 -9.731 1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.539 -8.215 0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.279 -8.683 3.545 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.244 -7.490 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.122 -6.818 3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.590 -6.060 2.340 1.00 0.00 H new ATOM 670 N THR A 42 -3.183 -10.506 1.293 1.00 0.00 N ATOM 671 CA THR A 42 -3.799 -11.776 1.672 1.00 0.00 C ATOM 672 C THR A 42 -4.210 -12.571 0.436 1.00 0.00 C ATOM 673 O THR A 42 -4.293 -12.024 -0.664 1.00 0.00 O ATOM 674 CB THR A 42 -5.016 -11.532 2.564 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.009 -10.799 1.869 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.687 -10.772 3.832 1.00 0.00 C ATOM 0 H THR A 42 -3.756 -9.926 0.680 1.00 0.00 H new ATOM 0 HA THR A 42 -3.062 -12.357 2.227 1.00 0.00 H new ATOM 0 HB THR A 42 -5.376 -12.524 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.780 -10.655 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.595 -10.633 4.419 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.960 -11.336 4.416 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.269 -9.799 3.575 1.00 0.00 H new ATOM 948 N LYS A 59 -5.804 -15.387 3.577 1.00 0.00 N ATOM 949 CA LYS A 59 -4.449 -15.904 3.737 1.00 0.00 C ATOM 950 C LYS A 59 -3.445 -14.757 3.726 1.00 0.00 C ATOM 951 O LYS A 59 -3.819 -13.598 3.892 1.00 0.00 O ATOM 952 CB LYS A 59 -4.112 -16.906 2.628 1.00 0.00 C ATOM 953 CG LYS A 59 -5.316 -17.653 2.074 1.00 0.00 C ATOM 954 CD LYS A 59 -4.906 -18.970 1.432 1.00 0.00 C ATOM 955 CE LYS A 59 -5.802 -20.114 1.881 1.00 0.00 C ATOM 956 NZ LYS A 59 -5.287 -20.773 3.113 1.00 0.00 N ATOM 0 HA LYS A 59 -4.392 -16.420 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.621 -16.376 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.395 -17.631 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.028 -17.844 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.825 -17.031 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.951 -18.876 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.871 -19.195 1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.808 -19.736 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.879 -20.850 1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.926 -21.547 3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.337 -21.156 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.237 -20.077 3.884 1.00 0.00 H new ATOM 970 N LYS A 60 -2.172 -15.080 3.524 1.00 0.00 N ATOM 971 CA LYS A 60 -1.131 -14.062 3.488 1.00 0.00 C ATOM 972 C LYS A 60 -0.205 -14.261 2.292 1.00 0.00 C ATOM 973 O LYS A 60 0.689 -15.106 2.320 1.00 0.00 O ATOM 974 CB LYS A 60 -0.317 -14.087 4.784 1.00 0.00 C ATOM 975 CG LYS A 60 -1.169 -14.014 6.043 1.00 0.00 C ATOM 976 CD LYS A 60 -1.053 -12.659 6.721 1.00 0.00 C ATOM 977 CE LYS A 60 -1.217 -12.774 8.228 1.00 0.00 C ATOM 978 NZ LYS A 60 -0.779 -11.537 8.930 1.00 0.00 N ATOM 0 H LYS A 60 -1.838 -16.034 3.384 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.617 -13.092 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.278 -15.000 4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.382 -13.251 4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.211 -14.206 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.861 -14.796 6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.083 -12.218 6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.811 -11.985 6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.262 -12.975 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.638 -13.623 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.907 -11.656 9.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.225 -11.358 8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.348 -10.731 8.601 1.00 0.00 H new ATOM 992 N LEU A 61 -0.422 -13.471 1.246 1.00 0.00 N ATOM 993 CA LEU A 61 0.397 -13.558 0.042 1.00 0.00 C ATOM 994 C LEU A 61 1.753 -12.897 0.265 1.00 0.00 C ATOM 995 O LEU A 61 2.760 -13.314 -0.305 1.00 0.00 O ATOM 996 CB LEU A 61 -0.315 -12.890 -1.136 1.00 0.00 C ATOM 997 CG LEU A 61 -1.521 -13.657 -1.679 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.168 -12.891 -2.823 1.00 0.00 C ATOM 999 CD2 LEU A 61 -1.100 -15.046 -2.136 1.00 0.00 C ATOM 0 H LEU A 61 -1.157 -12.764 1.207 1.00 0.00 H new ATOM 0 HA LEU A 61 0.553 -14.612 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.643 -11.897 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.403 -12.752 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.255 -13.763 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.025 -13.451 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.500 -11.916 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.444 -12.756 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.968 -15.581 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.350 -14.959 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.679 -15.594 -1.293 1.00 0.00 H new ATOM 1011 N PHE A 62 1.767 -11.866 1.104 1.00 0.00 N ATOM 1012 CA PHE A 62 2.998 -11.144 1.409 1.00 0.00 C ATOM 1013 C PHE A 62 3.052 -10.778 2.891 1.00 0.00 C ATOM 1014 O PHE A 62 2.979 -9.603 3.254 1.00 0.00 O ATOM 1015 CB PHE A 62 3.105 -9.880 0.548 1.00 0.00 C ATOM 1016 CG PHE A 62 2.701 -10.089 -0.884 1.00 0.00 C ATOM 1017 CD1 PHE A 62 1.368 -10.255 -1.225 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.654 -10.117 -1.890 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.992 -10.444 -2.541 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.284 -10.307 -3.208 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.952 -10.471 -3.534 1.00 0.00 C ATOM 0 H PHE A 62 0.940 -11.512 1.585 1.00 0.00 H new ATOM 0 HA PHE A 62 3.842 -11.795 1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.479 -9.101 0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.132 -9.517 0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.614 -10.236 -0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.697 -9.989 -1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.051 -10.570 -2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.036 -10.327 -3.983 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.661 -10.620 -4.563 1.00 0.00 H new ATOM 1031 N PRO A 63 3.178 -11.788 3.770 1.00 0.00 N ATOM 1032 CA PRO A 63 3.240 -11.572 5.219 1.00 0.00 C ATOM 1033 C PRO A 63 4.369 -10.626 5.613 1.00 0.00 C ATOM 1034 O PRO A 63 5.541 -10.893 5.348 1.00 0.00 O ATOM 1035 CB PRO A 63 3.491 -12.975 5.792 1.00 0.00 C ATOM 1036 CG PRO A 63 3.936 -13.803 4.633 1.00 0.00 C ATOM 1037 CD PRO A 63 3.271 -13.213 3.425 1.00 0.00 C ATOM 0 HA PRO A 63 2.329 -11.107 5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.252 -12.950 6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.586 -13.383 6.242 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.021 -13.781 4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.650 -14.846 4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.858 -13.373 2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.289 -13.652 3.249 1.00 0.00 H new ATOM 1045 N GLY A 64 4.006 -9.517 6.249 1.00 0.00 N ATOM 1046 CA GLY A 64 4.997 -8.546 6.672 1.00 0.00 C ATOM 1047 C GLY A 64 5.046 -7.328 5.767 1.00 0.00 C ATOM 1048 O GLY A 64 6.011 -6.564 5.803 1.00 0.00 O ATOM 0 H GLY A 64 3.043 -9.274 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.777 -8.228 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.979 -9.019 6.691 1.00 0.00 H new ATOM 1052 N TYR A 65 4.009 -7.146 4.953 1.00 0.00 N ATOM 1053 CA TYR A 65 3.951 -6.010 4.040 1.00 0.00 C ATOM 1054 C TYR A 65 2.564 -5.373 4.040 1.00 0.00 C ATOM 1055 O TYR A 65 1.565 -6.030 4.334 1.00 0.00 O ATOM 1056 CB TYR A 65 4.322 -6.451 2.624 1.00 0.00 C ATOM 1057 CG TYR A 65 5.716 -7.031 2.514 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.954 -8.370 2.800 1.00 0.00 C ATOM 1059 CD2 TYR A 65 6.790 -6.242 2.126 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.224 -8.905 2.703 1.00 0.00 C ATOM 1061 CE2 TYR A 65 8.064 -6.770 2.026 1.00 0.00 C ATOM 1062 CZ TYR A 65 8.275 -8.101 2.315 1.00 0.00 C ATOM 1063 OH TYR A 65 9.541 -8.630 2.218 1.00 0.00 O ATOM 0 H TYR A 65 3.202 -7.768 4.908 1.00 0.00 H new ATOM 0 HA TYR A 65 4.669 -5.265 4.384 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.601 -7.194 2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.240 -5.596 1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.133 -9.003 3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.628 -5.199 1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.393 -9.947 2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.889 -6.143 1.723 1.00 0.00 H new ATOM 0 HH TYR A 65 10.166 -7.932 1.932 1.00 0.00 H new ATOM 1073 N LEU A 66 2.512 -4.087 3.704 1.00 0.00 N ATOM 1074 CA LEU A 66 1.251 -3.354 3.657 1.00 0.00 C ATOM 1075 C LEU A 66 1.185 -2.483 2.407 1.00 0.00 C ATOM 1076 O LEU A 66 1.970 -1.548 2.251 1.00 0.00 O ATOM 1077 CB LEU A 66 1.091 -2.486 4.907 1.00 0.00 C ATOM 1078 CG LEU A 66 0.431 -3.184 6.100 1.00 0.00 C ATOM 1079 CD1 LEU A 66 1.438 -3.401 7.220 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -0.760 -2.378 6.602 1.00 0.00 C ATOM 0 H LEU A 66 3.331 -3.530 3.460 1.00 0.00 H new ATOM 0 HA LEU A 66 0.436 -4.077 3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.075 -2.130 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.501 -1.607 4.648 1.00 0.00 H new ATOM 0 HG LEU A 66 0.072 -4.158 5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.949 -3.898 8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.257 -4.022 6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.830 -2.438 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.215 -2.891 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.425 -1.389 6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.494 -2.277 5.802 1.00 0.00 H new ATOM 1092 N PHE A 67 0.249 -2.799 1.517 1.00 0.00 N ATOM 1093 CA PHE A 67 0.089 -2.047 0.276 1.00 0.00 C ATOM 1094 C PHE A 67 -0.680 -0.749 0.510 1.00 0.00 C ATOM 1095 O PHE A 67 -1.789 -0.761 1.043 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.630 -2.903 -0.769 1.00 0.00 C ATOM 1097 CG PHE A 67 -0.007 -4.258 -0.970 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.371 -4.398 -1.037 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.798 -5.388 -1.093 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.946 -5.642 -1.223 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.228 -6.633 -1.277 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.145 -6.761 -1.343 1.00 0.00 C ATOM 0 H PHE A 67 -0.410 -3.570 1.631 1.00 0.00 H new ATOM 0 HA PHE A 67 1.082 -1.789 -0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.670 -3.031 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.637 -2.371 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.002 -3.526 -0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.873 -5.295 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.020 -5.738 -1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.857 -7.506 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.592 -7.734 -1.488 1.00 0.00 H new ATOM 1112 N ILE A 68 -0.079 0.368 0.108 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.700 1.679 0.273 1.00 0.00 C ATOM 1114 C ILE A 68 -0.588 2.506 -1.005 1.00 0.00 C ATOM 1115 O ILE A 68 0.507 2.911 -1.397 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.053 2.469 1.429 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.049 1.602 2.688 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.844 3.737 1.713 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.473 1.366 3.142 1.00 0.00 C ATOM 0 H ILE A 68 0.839 0.391 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.750 1.500 0.503 1.00 0.00 H new ATOM 0 HB ILE A 68 0.956 2.752 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.507 2.079 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.428 0.640 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.375 4.283 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.860 4.363 0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.865 3.475 1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.471 0.745 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.028 0.861 2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.947 2.322 3.364 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.724 2.763 -1.648 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.741 3.549 -2.878 1.00 0.00 C ATOM 1133 C GLN A 69 -1.682 5.040 -2.572 1.00 0.00 C ATOM 1134 O GLN A 69 -2.686 5.748 -2.684 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.993 3.240 -3.696 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.848 3.577 -5.171 1.00 0.00 C ATOM 1137 CD GLN A 69 -4.185 3.782 -5.856 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.718 4.890 -5.887 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -4.737 2.709 -6.406 1.00 0.00 N ATOM 0 H GLN A 69 -2.641 2.440 -1.339 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.860 3.276 -3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.232 2.181 -3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.834 3.798 -3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.248 4.481 -5.276 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.307 2.774 -5.672 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.260 1.809 -6.357 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.638 2.784 -6.878 1.00 0.00 H new ATOM 1148 N MET A 70 -0.500 5.508 -2.183 1.00 0.00 N ATOM 1149 CA MET A 70 -0.298 6.916 -1.859 1.00 0.00 C ATOM 1150 C MET A 70 0.150 7.702 -3.089 1.00 0.00 C ATOM 1151 O MET A 70 0.122 7.191 -4.208 1.00 0.00 O ATOM 1152 CB MET A 70 0.731 7.060 -0.737 1.00 0.00 C ATOM 1153 CG MET A 70 2.115 6.552 -1.110 1.00 0.00 C ATOM 1154 SD MET A 70 3.302 6.722 0.236 1.00 0.00 S ATOM 1155 CE MET A 70 2.599 5.609 1.451 1.00 0.00 C ATOM 0 H MET A 70 0.335 4.931 -2.084 1.00 0.00 H new ATOM 0 HA MET A 70 -1.250 7.326 -1.521 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.803 8.110 -0.454 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.378 6.517 0.140 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.047 5.503 -1.399 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.477 7.100 -1.980 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.401 5.081 1.968 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.016 6.180 2.173 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.952 4.887 0.952 1.00 0.00 H new ATOM 1165 N ASP A 71 0.569 8.945 -2.872 1.00 0.00 N ATOM 1166 CA ASP A 71 1.031 9.800 -3.959 1.00 0.00 C ATOM 1167 C ASP A 71 2.135 10.738 -3.482 1.00 0.00 C ATOM 1168 O ASP A 71 1.866 11.855 -3.041 1.00 0.00 O ATOM 1169 CB ASP A 71 -0.133 10.612 -4.528 1.00 0.00 C ATOM 1170 CG ASP A 71 0.280 11.475 -5.704 1.00 0.00 C ATOM 1171 OD1 ASP A 71 1.173 11.049 -6.468 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -0.288 12.575 -5.861 1.00 0.00 O ATOM 0 H ASP A 71 0.598 9.383 -1.951 1.00 0.00 H new ATOM 0 HA ASP A 71 1.436 9.160 -4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.926 9.933 -4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.547 11.246 -3.744 1.00 0.00 H new ATOM 1177 N LEU A 72 3.378 10.277 -3.572 1.00 0.00 N ATOM 1178 CA LEU A 72 4.522 11.075 -3.149 1.00 0.00 C ATOM 1179 C LEU A 72 4.952 12.035 -4.254 1.00 0.00 C ATOM 1180 O LEU A 72 5.194 13.216 -4.003 1.00 0.00 O ATOM 1181 CB LEU A 72 5.692 10.166 -2.765 1.00 0.00 C ATOM 1182 CG LEU A 72 5.388 9.150 -1.661 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.538 8.168 -1.512 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.118 9.862 -0.343 1.00 0.00 C ATOM 0 H LEU A 72 3.619 9.354 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 72 4.224 11.659 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.020 9.627 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.527 10.789 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 72 4.494 8.592 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.306 7.453 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.686 7.636 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.448 8.710 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.904 9.125 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.994 10.444 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.262 10.527 -0.458 1.00 0.00 H new ATOM 1245 N GLU A 77 13.057 11.764 -2.194 1.00 0.00 N ATOM 1246 CA GLU A 77 12.601 12.055 -0.840 1.00 0.00 C ATOM 1247 C GLU A 77 11.091 12.285 -0.810 1.00 0.00 C ATOM 1248 O GLU A 77 10.557 13.046 -1.618 1.00 0.00 O ATOM 1249 CB GLU A 77 13.326 13.285 -0.289 1.00 0.00 C ATOM 1250 CG GLU A 77 13.208 14.511 -1.180 1.00 0.00 C ATOM 1251 CD GLU A 77 14.532 14.911 -1.801 1.00 0.00 C ATOM 1252 OE1 GLU A 77 15.372 14.018 -2.034 1.00 0.00 O ATOM 1253 OE2 GLU A 77 14.728 16.118 -2.054 1.00 0.00 O ATOM 0 HA GLU A 77 12.832 11.193 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.924 13.522 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.381 13.045 -0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.485 14.312 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.819 15.344 -0.595 1.00 0.00 H new ATOM 1260 N PRO A 78 10.376 11.627 0.122 1.00 0.00 N ATOM 1261 CA PRO A 78 8.924 11.769 0.244 1.00 0.00 C ATOM 1262 C PRO A 78 8.521 13.061 0.945 1.00 0.00 C ATOM 1263 O PRO A 78 9.374 13.836 1.379 1.00 0.00 O ATOM 1264 CB PRO A 78 8.533 10.558 1.088 1.00 0.00 C ATOM 1265 CG PRO A 78 9.723 10.305 1.948 1.00 0.00 C ATOM 1266 CD PRO A 78 10.926 10.694 1.128 1.00 0.00 C ATOM 0 HA PRO A 78 8.431 11.813 -0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.646 10.761 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.304 9.695 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.672 10.891 2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.775 9.257 2.242 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.691 11.171 1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.389 9.826 0.659 1.00 0.00 H new ATOM 1274 N ASN A 79 7.216 13.286 1.055 1.00 0.00 N ATOM 1275 CA ASN A 79 6.698 14.484 1.705 1.00 0.00 C ATOM 1276 C ASN A 79 6.490 14.246 3.199 1.00 0.00 C ATOM 1277 O ASN A 79 7.006 13.278 3.759 1.00 0.00 O ATOM 1278 CB ASN A 79 5.381 14.913 1.052 1.00 0.00 C ATOM 1279 CG ASN A 79 5.460 14.917 -0.463 1.00 0.00 C ATOM 1280 OD1 ASN A 79 5.853 13.925 -1.078 1.00 0.00 O ATOM 1281 ND2 ASN A 79 5.087 16.036 -1.072 1.00 0.00 N ATOM 0 H ASN A 79 6.497 12.654 0.702 1.00 0.00 H new ATOM 0 HA ASN A 79 7.431 15.281 1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.585 14.239 1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.113 15.910 1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.119 16.098 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.768 16.834 -0.522 1.00 0.00 H new ATOM 1288 N GLU A 80 5.732 15.132 3.839 1.00 0.00 N ATOM 1289 CA GLU A 80 5.456 15.016 5.270 1.00 0.00 C ATOM 1290 C GLU A 80 4.821 13.667 5.594 1.00 0.00 C ATOM 1291 O GLU A 80 4.953 13.158 6.707 1.00 0.00 O ATOM 1292 CB GLU A 80 4.533 16.144 5.733 1.00 0.00 C ATOM 1293 CG GLU A 80 4.831 17.487 5.085 1.00 0.00 C ATOM 1294 CD GLU A 80 4.726 18.642 6.061 1.00 0.00 C ATOM 1295 OE1 GLU A 80 5.045 18.446 7.252 1.00 0.00 O ATOM 1296 OE2 GLU A 80 4.322 19.746 5.635 1.00 0.00 O ATOM 0 H GLU A 80 5.297 15.938 3.390 1.00 0.00 H new ATOM 0 HA GLU A 80 6.405 15.093 5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.501 15.868 5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.615 16.247 6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.834 17.466 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.138 17.650 4.260 1.00 0.00 H new ATOM 1303 N ALA A 81 4.128 13.095 4.613 1.00 0.00 N ATOM 1304 CA ALA A 81 3.465 11.808 4.789 1.00 0.00 C ATOM 1305 C ALA A 81 4.424 10.759 5.346 1.00 0.00 C ATOM 1306 O ALA A 81 4.027 9.897 6.131 1.00 0.00 O ATOM 1307 CB ALA A 81 2.880 11.340 3.467 1.00 0.00 C ATOM 0 H ALA A 81 4.011 13.504 3.686 1.00 0.00 H new ATOM 0 HA ALA A 81 2.659 11.938 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.387 10.378 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.154 12.071 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.679 11.234 2.733 1.00 0.00 H new ATOM 1313 N TRP A 82 5.686 10.840 4.938 1.00 0.00 N ATOM 1314 CA TRP A 82 6.698 9.897 5.402 1.00 0.00 C ATOM 1315 C TRP A 82 6.951 10.066 6.895 1.00 0.00 C ATOM 1316 O TRP A 82 7.228 9.096 7.602 1.00 0.00 O ATOM 1317 CB TRP A 82 8.001 10.093 4.625 1.00 0.00 C ATOM 1318 CG TRP A 82 8.905 8.898 4.673 1.00 0.00 C ATOM 1319 CD1 TRP A 82 10.230 8.887 5.004 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.552 7.540 4.383 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.722 7.604 4.936 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.710 6.762 4.556 1.00 0.00 C ATOM 1323 CE3 TRP A 82 7.368 6.910 3.992 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.719 5.383 4.354 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 7.378 5.542 3.790 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.547 4.791 3.971 1.00 0.00 C ATOM 0 H TRP A 82 6.032 11.547 4.289 1.00 0.00 H new ATOM 0 HA TRP A 82 6.328 8.887 5.226 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.765 10.320 3.585 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.530 10.957 5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.807 9.758 5.279 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.683 7.325 5.136 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.462 7.481 3.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.619 4.803 4.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.469 5.044 3.487 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.522 3.724 3.805 1.00 0.00 H new ATOM 1337 N GLU A 83 6.849 11.302 7.370 1.00 0.00 N ATOM 1338 CA GLU A 83 7.063 11.598 8.782 1.00 0.00 C ATOM 1339 C GLU A 83 5.968 10.971 9.637 1.00 0.00 C ATOM 1340 O GLU A 83 6.206 10.581 10.782 1.00 0.00 O ATOM 1341 CB GLU A 83 7.100 13.113 9.007 1.00 0.00 C ATOM 1342 CG GLU A 83 8.510 13.682 9.084 1.00 0.00 C ATOM 1343 CD GLU A 83 8.818 14.633 7.943 1.00 0.00 C ATOM 1344 OE1 GLU A 83 7.885 15.308 7.464 1.00 0.00 O ATOM 1345 OE2 GLU A 83 9.995 14.702 7.532 1.00 0.00 O ATOM 0 H GLU A 83 6.620 12.115 6.799 1.00 0.00 H new ATOM 0 HA GLU A 83 8.021 11.171 9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.562 13.606 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.571 13.348 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.636 14.205 10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.229 12.863 9.074 1.00 0.00 H new ATOM 1352 N VAL A 84 4.768 10.875 9.075 1.00 0.00 N ATOM 1353 CA VAL A 84 3.636 10.293 9.785 1.00 0.00 C ATOM 1354 C VAL A 84 3.782 8.781 9.905 1.00 0.00 C ATOM 1355 O VAL A 84 3.636 8.218 10.990 1.00 0.00 O ATOM 1356 CB VAL A 84 2.304 10.614 9.081 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.127 10.175 9.937 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.214 12.099 8.758 1.00 0.00 C ATOM 0 H VAL A 84 4.555 11.193 8.130 1.00 0.00 H new ATOM 0 HA VAL A 84 3.627 10.736 10.781 1.00 0.00 H new ATOM 0 HB VAL A 84 2.268 10.059 8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.195 10.410 9.423 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.184 9.100 10.111 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.156 10.699 10.892 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.266 12.306 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.274 12.676 9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.037 12.379 8.101 1.00 0.00 H new ATOM 1368 N VAL A 85 4.071 8.128 8.783 1.00 0.00 N ATOM 1369 CA VAL A 85 4.238 6.680 8.764 1.00 0.00 C ATOM 1370 C VAL A 85 5.343 6.242 9.721 1.00 0.00 C ATOM 1371 O VAL A 85 5.129 5.394 10.587 1.00 0.00 O ATOM 1372 CB VAL A 85 4.568 6.171 7.349 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.545 4.650 7.309 1.00 0.00 C ATOM 1374 CG2 VAL A 85 3.599 6.753 6.331 1.00 0.00 C ATOM 0 H VAL A 85 4.194 8.579 7.876 1.00 0.00 H new ATOM 0 HA VAL A 85 3.290 6.248 9.085 1.00 0.00 H new ATOM 0 HB VAL A 85 5.573 6.503 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.781 4.309 6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.284 4.256 8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.554 4.294 7.590 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.849 6.381 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.582 6.455 6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.671 7.841 6.340 1.00 0.00 H new ATOM 1384 N ARG A 86 6.525 6.830 9.559 1.00 0.00 N ATOM 1385 CA ARG A 86 7.663 6.502 10.412 1.00 0.00 C ATOM 1386 C ARG A 86 7.339 6.771 11.878 1.00 0.00 C ATOM 1387 O ARG A 86 7.873 6.113 12.773 1.00 0.00 O ATOM 1388 CB ARG A 86 8.891 7.312 9.991 1.00 0.00 C ATOM 1389 CG ARG A 86 10.114 7.062 10.861 1.00 0.00 C ATOM 1390 CD ARG A 86 11.406 7.256 10.082 1.00 0.00 C ATOM 1391 NE ARG A 86 11.925 8.616 10.211 1.00 0.00 N ATOM 1392 CZ ARG A 86 11.677 9.597 9.343 1.00 0.00 C ATOM 1393 NH1 ARG A 86 10.906 9.383 8.284 1.00 0.00 N ATOM 1394 NH2 ARG A 86 12.200 10.799 9.538 1.00 0.00 N ATOM 0 H ARG A 86 6.719 7.534 8.847 1.00 0.00 H new ATOM 0 HA ARG A 86 7.879 5.440 10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.137 7.072 8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.644 8.373 10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.098 7.740 11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.077 6.048 11.258 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.154 6.547 10.438 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.231 7.033 9.029 1.00 0.00 H new ATOM 0 HE ARG A 86 12.514 8.828 11.016 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.497 8.461 8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.722 10.140 7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.791 10.972 10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.011 11.551 8.875 1.00 0.00 H new ATOM 1408 N GLY A 87 6.463 7.740 12.120 1.00 0.00 N ATOM 1409 CA GLY A 87 6.085 8.078 13.479 1.00 0.00 C ATOM 1410 C GLY A 87 5.060 7.120 14.052 1.00 0.00 C ATOM 1411 O GLY A 87 5.002 6.915 15.264 1.00 0.00 O ATOM 0 H GLY A 87 6.007 8.298 11.398 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.973 8.075 14.111 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.682 9.091 13.499 1.00 0.00 H new ATOM 1415 N THR A 88 4.248 6.531 13.179 1.00 0.00 N ATOM 1416 CA THR A 88 3.221 5.592 13.607 1.00 0.00 C ATOM 1417 C THR A 88 3.851 4.293 14.113 1.00 0.00 C ATOM 1418 O THR A 88 4.704 3.710 13.445 1.00 0.00 O ATOM 1419 CB THR A 88 2.263 5.291 12.454 1.00 0.00 C ATOM 1420 OG1 THR A 88 2.928 4.589 11.419 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.650 6.535 11.846 1.00 0.00 C ATOM 0 H THR A 88 4.283 6.688 12.172 1.00 0.00 H new ATOM 0 HA THR A 88 2.662 6.049 14.424 1.00 0.00 H new ATOM 0 HB THR A 88 1.466 4.688 12.890 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.660 5.138 11.069 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.981 6.251 11.034 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.087 7.073 12.609 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.440 7.177 11.457 1.00 0.00 H new ATOM 1429 N PRO A 89 3.441 3.821 15.305 1.00 0.00 N ATOM 1430 CA PRO A 89 3.976 2.585 15.888 1.00 0.00 C ATOM 1431 C PRO A 89 3.864 1.399 14.936 1.00 0.00 C ATOM 1432 O PRO A 89 4.613 0.429 15.049 1.00 0.00 O ATOM 1433 CB PRO A 89 3.102 2.362 17.124 1.00 0.00 C ATOM 1434 CG PRO A 89 2.589 3.714 17.476 1.00 0.00 C ATOM 1435 CD PRO A 89 2.427 4.447 16.176 1.00 0.00 C ATOM 0 HA PRO A 89 5.039 2.671 16.113 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.285 1.672 16.912 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.678 1.932 17.943 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.639 3.645 18.006 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.284 4.236 18.134 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.422 4.331 15.771 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.602 5.517 16.293 1.00 0.00 H new ATOM 1443 N GLY A 90 2.924 1.481 13.999 1.00 0.00 N ATOM 1444 CA GLY A 90 2.733 0.406 13.043 1.00 0.00 C ATOM 1445 C GLY A 90 3.994 0.089 12.262 1.00 0.00 C ATOM 1446 O GLY A 90 4.185 -1.040 11.808 1.00 0.00 O ATOM 0 H GLY A 90 2.291 2.273 13.885 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.402 -0.489 13.570 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.939 0.679 12.348 1.00 0.00 H new ATOM 1450 N ILE A 91 4.858 1.087 12.105 1.00 0.00 N ATOM 1451 CA ILE A 91 6.105 0.909 11.374 1.00 0.00 C ATOM 1452 C ILE A 91 7.235 0.488 12.309 1.00 0.00 C ATOM 1453 O ILE A 91 7.354 0.996 13.423 1.00 0.00 O ATOM 1454 CB ILE A 91 6.515 2.201 10.638 1.00 0.00 C ATOM 1455 CG1 ILE A 91 5.356 2.718 9.788 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.745 1.956 9.776 1.00 0.00 C ATOM 1457 CD1 ILE A 91 4.916 1.747 8.713 1.00 0.00 C ATOM 0 H ILE A 91 4.716 2.027 12.475 1.00 0.00 H new ATOM 0 HA ILE A 91 5.932 0.122 10.640 1.00 0.00 H new ATOM 0 HB ILE A 91 6.764 2.960 11.380 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.509 2.937 10.438 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.650 3.657 9.320 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.020 2.878 9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.572 1.630 10.407 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.525 1.184 9.039 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.090 2.179 8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.750 1.547 8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.591 0.815 9.175 1.00 0.00 H new ATOM 1567 N ARG A 100 13.955 3.914 1.444 1.00 0.00 N ATOM 1568 CA ARG A 100 13.163 3.660 2.642 1.00 0.00 C ATOM 1569 C ARG A 100 11.874 2.913 2.299 1.00 0.00 C ATOM 1570 O ARG A 100 11.555 1.900 2.920 1.00 0.00 O ATOM 1571 CB ARG A 100 12.831 4.969 3.369 1.00 0.00 C ATOM 1572 CG ARG A 100 13.917 6.029 3.258 1.00 0.00 C ATOM 1573 CD ARG A 100 15.215 5.573 3.909 1.00 0.00 C ATOM 1574 NE ARG A 100 16.348 5.671 2.994 1.00 0.00 N ATOM 1575 CZ ARG A 100 17.620 5.714 3.389 1.00 0.00 C ATOM 1576 NH1 ARG A 100 17.922 5.665 4.681 1.00 0.00 N ATOM 1577 NH2 ARG A 100 18.592 5.804 2.490 1.00 0.00 N ATOM 0 HA ARG A 100 13.762 3.035 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.902 5.371 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.654 4.753 4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.097 6.257 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.576 6.950 3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.410 6.179 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 100 15.109 4.542 4.246 1.00 0.00 H new ATOM 0 HE ARG A 100 16.155 5.709 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 100 17.179 5.594 5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 100 18.897 5.698 4.978 1.00 0.00 H new ATOM 0 HH21 ARG A 100 18.366 5.840 1.496 1.00 0.00 H new ATOM 0 HH22 ARG A 100 19.565 5.837 2.793 1.00 0.00 H new ATOM 1591 N PRO A 101 11.111 3.403 1.303 1.00 0.00 N ATOM 1592 CA PRO A 101 9.857 2.778 0.884 1.00 0.00 C ATOM 1593 C PRO A 101 10.088 1.563 -0.009 1.00 0.00 C ATOM 1594 O PRO A 101 11.227 1.147 -0.227 1.00 0.00 O ATOM 1595 CB PRO A 101 9.136 3.888 0.099 1.00 0.00 C ATOM 1596 CG PRO A 101 10.019 5.097 0.178 1.00 0.00 C ATOM 1597 CD PRO A 101 11.395 4.597 0.504 1.00 0.00 C ATOM 0 HA PRO A 101 9.288 2.407 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.975 3.590 -0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.155 4.094 0.528 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.017 5.641 -0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.665 5.787 0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.965 4.359 -0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.973 5.333 1.063 1.00 0.00 H new ATOM 1605 N VAL A 102 9.000 1.000 -0.523 1.00 0.00 N ATOM 1606 CA VAL A 102 9.081 -0.167 -1.397 1.00 0.00 C ATOM 1607 C VAL A 102 7.916 -0.188 -2.384 1.00 0.00 C ATOM 1608 O VAL A 102 6.999 -1.001 -2.260 1.00 0.00 O ATOM 1609 CB VAL A 102 9.083 -1.481 -0.591 1.00 0.00 C ATOM 1610 CG1 VAL A 102 9.495 -2.647 -1.475 1.00 0.00 C ATOM 1611 CG2 VAL A 102 10.002 -1.370 0.618 1.00 0.00 C ATOM 0 H VAL A 102 8.051 1.332 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 102 10.021 -0.090 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 102 8.071 -1.664 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 102 9.491 -3.567 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.793 -2.741 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.497 -2.471 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.988 -2.308 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 102 11.018 -1.160 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.658 -0.562 1.264 1.00 0.00 H new ATOM 1621 N PRO A 103 7.937 0.713 -3.381 1.00 0.00 N ATOM 1622 CA PRO A 103 6.878 0.795 -4.392 1.00 0.00 C ATOM 1623 C PRO A 103 6.809 -0.450 -5.267 1.00 0.00 C ATOM 1624 O PRO A 103 7.832 -0.943 -5.744 1.00 0.00 O ATOM 1625 CB PRO A 103 7.267 2.019 -5.228 1.00 0.00 C ATOM 1626 CG PRO A 103 8.731 2.188 -5.004 1.00 0.00 C ATOM 1627 CD PRO A 103 8.991 1.718 -3.600 1.00 0.00 C ATOM 0 HA PRO A 103 5.891 0.874 -3.936 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.044 1.863 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.714 2.904 -4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.306 1.605 -5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.027 3.230 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.987 1.286 -3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.923 2.536 -2.883 1.00 0.00 H new ATOM 1635 N LEU A 104 5.598 -0.956 -5.474 1.00 0.00 N ATOM 1636 CA LEU A 104 5.393 -2.145 -6.291 1.00 0.00 C ATOM 1637 C LEU A 104 5.200 -1.771 -7.758 1.00 0.00 C ATOM 1638 O LEU A 104 5.005 -0.602 -8.090 1.00 0.00 O ATOM 1639 CB LEU A 104 4.177 -2.931 -5.794 1.00 0.00 C ATOM 1640 CG LEU A 104 4.228 -3.341 -4.321 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.848 -3.239 -3.689 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.776 -4.753 -4.181 1.00 0.00 C ATOM 0 H LEU A 104 4.742 -0.560 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 104 6.282 -2.769 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.283 -2.329 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.071 -3.830 -6.402 1.00 0.00 H new ATOM 0 HG LEU A 104 4.896 -2.658 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.905 -3.535 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.492 -2.211 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.157 -3.898 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.806 -5.029 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.132 -5.448 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.783 -4.795 -4.595 1.00 0.00 H new ATOM 1654 N SER A 105 5.254 -2.771 -8.631 1.00 0.00 N ATOM 1655 CA SER A 105 5.080 -2.546 -10.061 1.00 0.00 C ATOM 1656 C SER A 105 3.609 -2.660 -10.452 1.00 0.00 C ATOM 1657 O SER A 105 2.857 -3.429 -9.853 1.00 0.00 O ATOM 1658 CB SER A 105 5.913 -3.552 -10.862 1.00 0.00 C ATOM 1659 OG SER A 105 6.530 -2.930 -11.976 1.00 0.00 O ATOM 0 H SER A 105 5.417 -3.744 -8.374 1.00 0.00 H new ATOM 0 HA SER A 105 5.423 -1.537 -10.291 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.675 -3.992 -10.219 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.275 -4.367 -11.204 1.00 0.00 H new ATOM 0 HG SER A 105 7.057 -3.592 -12.470 1.00 0.00 H new ATOM 1665 N PRO A 106 3.177 -1.893 -11.468 1.00 0.00 N ATOM 1666 CA PRO A 106 1.787 -1.914 -11.936 1.00 0.00 C ATOM 1667 C PRO A 106 1.334 -3.312 -12.338 1.00 0.00 C ATOM 1668 O PRO A 106 0.163 -3.664 -12.191 1.00 0.00 O ATOM 1669 CB PRO A 106 1.793 -0.979 -13.155 1.00 0.00 C ATOM 1670 CG PRO A 106 3.231 -0.815 -13.522 1.00 0.00 C ATOM 1671 CD PRO A 106 4.000 -0.953 -12.241 1.00 0.00 C ATOM 0 HA PRO A 106 1.094 -1.602 -11.154 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.223 -1.406 -13.980 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.337 -0.019 -12.916 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.538 -1.570 -14.245 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.409 0.157 -13.981 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.004 -1.340 -12.412 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.110 0.003 -11.730 1.00 0.00 H new ATOM 1679 N ASP A 107 2.270 -4.110 -12.845 1.00 0.00 N ATOM 1680 CA ASP A 107 1.968 -5.473 -13.267 1.00 0.00 C ATOM 1681 C ASP A 107 1.773 -6.388 -12.061 1.00 0.00 C ATOM 1682 O ASP A 107 1.051 -7.382 -12.135 1.00 0.00 O ATOM 1683 CB ASP A 107 3.089 -6.012 -14.156 1.00 0.00 C ATOM 1684 CG ASP A 107 3.125 -5.340 -15.515 1.00 0.00 C ATOM 1685 OD1 ASP A 107 3.547 -4.166 -15.585 1.00 0.00 O ATOM 1686 OD2 ASP A 107 2.733 -5.987 -16.508 1.00 0.00 O ATOM 0 H ASP A 107 3.244 -3.835 -12.973 1.00 0.00 H new ATOM 0 HA ASP A 107 1.039 -5.453 -13.837 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.047 -5.866 -13.656 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.959 -7.086 -14.288 1.00 0.00 H new ATOM 1691 N GLU A 108 2.422 -6.045 -10.953 1.00 0.00 N ATOM 1692 CA GLU A 108 2.321 -6.839 -9.733 1.00 0.00 C ATOM 1693 C GLU A 108 1.170 -6.351 -8.857 1.00 0.00 C ATOM 1694 O GLU A 108 0.522 -7.141 -8.172 1.00 0.00 O ATOM 1695 CB GLU A 108 3.633 -6.775 -8.949 1.00 0.00 C ATOM 1696 CG GLU A 108 3.889 -8.002 -8.088 1.00 0.00 C ATOM 1697 CD GLU A 108 4.857 -7.727 -6.955 1.00 0.00 C ATOM 1698 OE1 GLU A 108 6.020 -7.369 -7.241 1.00 0.00 O ATOM 1699 OE2 GLU A 108 4.454 -7.867 -5.782 1.00 0.00 O ATOM 0 H GLU A 108 3.022 -5.224 -10.874 1.00 0.00 H new ATOM 0 HA GLU A 108 2.124 -7.872 -10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.459 -6.654 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.623 -5.890 -8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.944 -8.356 -7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.284 -8.803 -8.712 1.00 0.00 H new ATOM 1706 N VAL A 109 0.920 -5.046 -8.885 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.154 -4.459 -8.094 1.00 0.00 C ATOM 1708 C VAL A 109 -1.508 -5.041 -8.486 1.00 0.00 C ATOM 1709 O VAL A 109 -2.349 -5.314 -7.632 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.200 -2.925 -8.251 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.230 -2.320 -7.309 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.177 -2.321 -8.011 1.00 0.00 C ATOM 0 H VAL A 109 1.446 -4.376 -9.446 1.00 0.00 H new ATOM 0 HA VAL A 109 0.055 -4.702 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.499 -2.692 -9.273 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.247 -1.237 -7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.215 -2.727 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.967 -2.561 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.125 -1.238 -8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.509 -2.563 -7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.884 -2.729 -8.733 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.716 -5.230 -9.782 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.973 -5.779 -10.276 1.00 0.00 C ATOM 1724 C ARG A 110 -3.208 -7.188 -9.731 1.00 0.00 C ATOM 1725 O ARG A 110 -4.336 -7.680 -9.730 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.980 -5.801 -11.806 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.305 -5.363 -12.414 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.728 -6.283 -13.549 1.00 0.00 C ATOM 1729 NE ARG A 110 -5.356 -5.551 -14.644 1.00 0.00 N ATOM 1730 CZ ARG A 110 -5.565 -6.063 -15.855 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -5.197 -7.309 -16.128 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -6.145 -5.330 -16.795 1.00 0.00 N ATOM 0 H ARG A 110 -1.034 -5.012 -10.508 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.781 -5.137 -9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.187 -5.150 -12.174 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.748 -6.810 -12.148 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.076 -5.356 -11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.216 -4.342 -12.785 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.856 -6.819 -13.925 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.423 -7.032 -13.168 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.652 -4.590 -14.471 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.752 -7.879 -15.408 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.359 -7.697 -17.057 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.432 -4.373 -16.591 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.305 -5.723 -17.722 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.139 -7.832 -9.270 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.241 -9.180 -8.726 1.00 0.00 C ATOM 1748 C HIS A 111 -2.673 -9.147 -7.265 1.00 0.00 C ATOM 1749 O HIS A 111 -3.533 -9.922 -6.847 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.905 -9.911 -8.861 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.656 -10.449 -10.236 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -1.544 -11.274 -10.893 1.00 0.00 N ATOM 1753 CD2 HIS A 111 0.389 -10.277 -11.080 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -1.058 -11.585 -12.081 1.00 0.00 C ATOM 1755 NE2 HIS A 111 0.114 -10.993 -12.220 1.00 0.00 N ATOM 0 H HIS A 111 -1.196 -7.443 -9.263 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.999 -9.718 -9.296 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.098 -9.229 -8.595 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.876 -10.734 -8.147 1.00 0.00 H new ATOM 0 HD2 HIS A 111 1.274 -9.687 -10.892 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.538 -12.216 -12.814 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.717 -11.057 -13.040 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.076 -8.245 -6.491 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.411 -8.122 -5.078 1.00 0.00 C ATOM 1766 C ILE A 112 -3.763 -7.434 -4.890 1.00 0.00 C ATOM 1767 O ILE A 112 -4.394 -7.566 -3.841 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.322 -7.355 -4.295 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.348 -5.862 -4.636 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.050 -7.941 -4.588 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -2.287 -5.061 -3.762 1.00 0.00 C ATOM 0 H ILE A 112 -1.362 -7.593 -6.817 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.470 -9.135 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.530 -7.462 -3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.340 -5.458 -4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.642 -5.740 -5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.807 -7.391 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.069 -8.989 -4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.258 -7.864 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.255 -4.013 -4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.303 -5.440 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.981 -5.152 -2.720 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.209 -6.706 -5.915 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.490 -6.012 -5.851 1.00 0.00 C ATOM 1785 C LEU A 113 -6.627 -6.948 -6.244 1.00 0.00 C ATOM 1786 O LEU A 113 -7.733 -6.856 -5.712 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.480 -4.788 -6.768 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.514 -3.676 -6.357 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.462 -2.592 -7.423 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -4.918 -3.085 -5.016 1.00 0.00 C ATOM 0 H LEU A 113 -3.704 -6.584 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.648 -5.682 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.228 -5.112 -7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.488 -4.375 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.518 -4.108 -6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.770 -1.810 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.123 -3.024 -8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.456 -2.165 -7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.219 -2.296 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.923 -2.670 -5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.902 -3.865 -4.255 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.347 -7.856 -7.176 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.347 -8.812 -7.633 1.00 0.00 C ATOM 1804 C GLU A 114 -7.600 -9.876 -6.571 1.00 0.00 C ATOM 1805 O GLU A 114 -8.691 -10.439 -6.487 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.896 -9.473 -8.937 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.921 -10.432 -9.520 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.292 -11.706 -10.050 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -6.245 -11.614 -10.724 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -7.848 -12.794 -9.793 1.00 0.00 O ATOM 0 H GLU A 114 -5.437 -7.948 -7.628 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.276 -8.272 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.678 -8.697 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.966 -10.013 -8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.654 -10.685 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.461 -9.935 -10.326 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.583 -10.145 -5.756 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.694 -11.139 -4.696 1.00 0.00 C ATOM 1819 C VAL A 115 -7.200 -10.506 -3.404 1.00 0.00 C ATOM 1820 O VAL A 115 -7.885 -11.152 -2.612 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.339 -11.823 -4.418 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.523 -13.018 -3.497 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.668 -12.243 -5.720 1.00 0.00 C ATOM 0 H VAL A 115 -5.673 -9.687 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.407 -11.888 -5.040 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.689 -11.104 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.557 -13.487 -3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.952 -12.686 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.193 -13.739 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.714 -12.723 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.312 -12.943 -6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.497 -11.364 -6.341 1.00 0.00 H new ATOM 1833 N SER A 116 -6.860 -9.236 -3.201 1.00 0.00 N ATOM 1834 CA SER A 116 -7.279 -8.514 -2.005 1.00 0.00 C ATOM 1835 C SER A 116 -8.800 -8.453 -1.911 1.00 0.00 C ATOM 1836 O SER A 116 -9.396 -9.013 -0.993 1.00 0.00 O ATOM 1837 CB SER A 116 -6.698 -7.098 -2.009 1.00 0.00 C ATOM 1838 OG SER A 116 -5.392 -7.082 -1.461 1.00 0.00 O ATOM 0 H SER A 116 -6.296 -8.687 -3.849 1.00 0.00 H new ATOM 0 HA SER A 116 -6.901 -9.051 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.673 -6.715 -3.029 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.345 -6.434 -1.435 1.00 0.00 H new ATOM 0 HG SER A 116 -4.741 -7.297 -2.161 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.421 -7.769 -2.868 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.867 -7.649 -2.871 1.00 0.00 C ATOM 1846 C GLY A 117 -11.345 -6.345 -3.478 1.00 0.00 C ATOM 1847 O GLY A 117 -12.085 -5.592 -2.846 1.00 0.00 O ATOM 0 H GLY A 117 -8.949 -7.297 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.295 -8.483 -3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.236 -7.726 -1.848 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.923 -6.078 -4.710 1.00 0.00 N ATOM 1852 CA LEU A 118 -11.318 -4.856 -5.404 1.00 0.00 C ATOM 1853 C LEU A 118 -11.714 -5.159 -6.845 1.00 0.00 C ATOM 1854 O LEU A 118 -12.758 -4.710 -7.320 1.00 0.00 O ATOM 1855 CB LEU A 118 -10.180 -3.830 -5.385 1.00 0.00 C ATOM 1856 CG LEU A 118 -9.233 -3.922 -4.186 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.947 -3.158 -4.466 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.907 -3.394 -2.931 1.00 0.00 C ATOM 0 H LEU A 118 -10.309 -6.690 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.179 -4.438 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.595 -3.944 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.614 -2.830 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.983 -4.970 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.284 -3.233 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.454 -3.583 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.180 -2.110 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.218 -3.468 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.188 -2.351 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.800 -3.984 -2.722 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.871 -5.919 -7.537 1.00 0.00 N ATOM 1871 CA LEU A 119 -11.131 -6.282 -8.925 1.00 0.00 C ATOM 1872 C LEU A 119 -12.128 -7.438 -9.022 1.00 0.00 C ATOM 1873 O LEU A 119 -12.525 -7.833 -10.117 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.824 -6.657 -9.626 1.00 0.00 C ATOM 1875 CG LEU A 119 -9.605 -5.994 -10.988 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -8.774 -4.731 -10.838 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -8.937 -6.964 -11.951 1.00 0.00 C ATOM 0 H LEU A 119 -10.002 -6.295 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.570 -5.416 -9.421 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.991 -6.395 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.797 -7.739 -9.757 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.577 -5.718 -11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.628 -4.273 -11.816 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.292 -4.030 -10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.805 -4.982 -10.407 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.789 -6.476 -12.914 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.972 -7.271 -11.547 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -9.571 -7.841 -12.082 1.00 0.00 H new ATOM 1889 N GLY A 120 -12.529 -7.978 -7.873 1.00 0.00 N ATOM 1890 CA GLY A 120 -13.474 -9.081 -7.864 1.00 0.00 C ATOM 1891 C GLY A 120 -14.883 -8.639 -8.210 1.00 0.00 C ATOM 1892 O GLY A 120 -15.166 -7.427 -8.115 1.00 0.00 O ATOM 1893 OXT GLY A 120 -15.704 -9.507 -8.576 1.00 0.00 O ATOM 0 H GLY A 120 -12.217 -7.672 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.149 -9.840 -8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.474 -9.547 -6.879 1.00 0.00 H new