USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 811 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 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 56 GLN : amide:sc= -0.376 K(o=-0.38,f=-1.9) USER MOD Set 2.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 72 TYR OH : rot -145:sc= -3.03! USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0.0201 USER MOD Set 3.2: A 59 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.7!) USER MOD Set 4.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 25 MET CE :methyl 162:sc= -0.156 (180deg=-0.706) USER MOD Set 5.1: A 4 MET CE :methyl -108:sc= -3.75 (180deg=-4.65!) USER MOD Set 5.2: A 27 MET CE :methyl -171:sc= -2.3 (180deg=-1.63) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0557) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.15) USER MOD Single : A 10 ASN : amide:sc= -4.06 K(o=-4.1,f=-6.6!) USER MOD Single : A 12 THR OG1 : rot -10:sc= 0.704! USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000245) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 152:sc= -3.58! USER MOD Single : A 19 SER OG : rot 95:sc= 0.709 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.7) USER MOD Single : A 34 HIS : no HD1:sc= -6.73! C(o=-6.7!,f=-9.2!) USER MOD Single : A 39 GLN : amide:sc= -2.21 K(o=-2.2,f=-0.4) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.66 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -115:sc= -1.58! USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= -2.15! (180deg=-2.65!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00833 USER MOD Single : A 57 ASN : amide:sc= -2.35! C(o=-2.3!,f=-3.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 148:sc= -1.53 (180deg=-3.81!) USER MOD Single : A 69 SER OG : rot -61:sc= 1.13 USER MOD Single : A 70 THR OG1 : rot 150:sc= 1.2 USER MOD Single : A 80 THR OG1 : rot 39:sc= 2 USER MOD Single : A 81 SER OG : rot -63:sc= 0.893 USER MOD Single : A 83 THR OG1 : rot -75:sc= 0.388 USER MOD Single : A 85 TYR OH : rot 142:sc= 0.188 USER MOD Single : A 86 ASN : amide:sc= -3.91! K(o=-3.9!,f=-1.1) USER MOD Single : A 90 SER OG : rot -130:sc= -0.448 USER MOD Single : A 93 SER OG : rot 140:sc= -0.326 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -174:sc= 1.15 USER MOD Single : A 102 SER OG : rot 170:sc= 0.0673 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.940 5.829 -5.586 1.00 0.00 N ATOM 2 CA MET A 1 9.895 6.858 -6.076 1.00 0.00 C ATOM 3 C MET A 1 10.887 6.264 -7.068 1.00 0.00 C ATOM 4 O MET A 1 11.501 5.231 -6.804 1.00 0.00 O ATOM 5 CB MET A 1 10.639 7.441 -4.874 1.00 0.00 C ATOM 6 CG MET A 1 9.876 8.544 -4.160 1.00 0.00 C ATOM 7 SD MET A 1 9.489 9.933 -5.243 1.00 0.00 S ATOM 8 CE MET A 1 11.098 10.707 -5.389 1.00 0.00 C ATOM 0 H1 MET A 1 8.277 6.263 -4.912 1.00 0.00 H new ATOM 0 H2 MET A 1 8.409 5.437 -6.390 1.00 0.00 H new ATOM 0 H3 MET A 1 9.465 5.066 -5.112 1.00 0.00 H new ATOM 0 HA MET A 1 9.342 7.641 -6.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.850 6.640 -4.165 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.600 7.833 -5.208 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.950 8.136 -3.754 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.465 8.900 -3.315 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.001 11.650 -5.926 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.503 10.896 -4.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.771 10.046 -5.935 1.00 0.00 H new ATOM 20 N ILE A 2 11.041 6.925 -8.211 1.00 0.00 N ATOM 21 CA ILE A 2 11.963 6.461 -9.243 1.00 0.00 C ATOM 22 C ILE A 2 12.617 7.638 -9.966 1.00 0.00 C ATOM 23 O ILE A 2 12.490 8.785 -9.537 1.00 0.00 O ATOM 24 CB ILE A 2 11.269 5.532 -10.271 1.00 0.00 C ATOM 25 CG1 ILE A 2 9.766 5.807 -10.347 1.00 0.00 C ATOM 26 CG2 ILE A 2 11.520 4.075 -9.913 1.00 0.00 C ATOM 27 CD1 ILE A 2 9.427 7.269 -10.514 1.00 0.00 C ATOM 0 H ILE A 2 10.540 7.782 -8.446 1.00 0.00 H new ATOM 0 HA ILE A 2 12.734 5.883 -8.735 1.00 0.00 H new ATOM 0 HB ILE A 2 11.696 5.738 -11.252 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.344 5.247 -11.182 1.00 0.00 H new ATOM 0 HG13 ILE A 2 9.290 5.434 -9.440 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.028 3.431 -10.642 1.00 0.00 H new ATOM 0 HG22 ILE A 2 12.592 3.878 -9.920 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.120 3.870 -8.920 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.345 7.389 -10.560 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.818 7.832 -9.667 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.873 7.643 -11.436 1.00 0.00 H new ATOM 39 N GLN A 3 13.336 7.338 -11.049 1.00 0.00 N ATOM 40 CA GLN A 3 14.046 8.349 -11.843 1.00 0.00 C ATOM 41 C GLN A 3 13.334 9.700 -11.869 1.00 0.00 C ATOM 42 O GLN A 3 13.967 10.746 -11.740 1.00 0.00 O ATOM 43 CB GLN A 3 14.247 7.845 -13.273 1.00 0.00 C ATOM 44 CG GLN A 3 13.046 7.096 -13.828 1.00 0.00 C ATOM 45 CD GLN A 3 13.164 6.826 -15.316 1.00 0.00 C ATOM 46 OE1 GLN A 3 13.735 5.817 -15.733 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.623 7.728 -16.126 1.00 0.00 N ATOM 0 H GLN A 3 13.444 6.387 -11.403 1.00 0.00 H new ATOM 0 HA GLN A 3 15.010 8.506 -11.359 1.00 0.00 H new ATOM 0 HB2 GLN A 3 14.467 8.693 -13.921 1.00 0.00 H new ATOM 0 HB3 GLN A 3 15.118 7.190 -13.300 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.936 6.150 -13.298 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.142 7.675 -13.638 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.159 8.549 -15.738 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.671 7.600 -17.137 1.00 0.00 H new ATOM 56 N MET A 4 12.024 9.670 -12.046 1.00 0.00 N ATOM 57 CA MET A 4 11.236 10.898 -12.100 1.00 0.00 C ATOM 58 C MET A 4 9.925 10.756 -11.329 1.00 0.00 C ATOM 59 O MET A 4 9.800 9.905 -10.449 1.00 0.00 O ATOM 60 CB MET A 4 10.951 11.273 -13.557 1.00 0.00 C ATOM 61 CG MET A 4 11.333 12.703 -13.898 1.00 0.00 C ATOM 62 SD MET A 4 10.170 13.482 -15.038 1.00 0.00 S ATOM 63 CE MET A 4 9.863 15.039 -14.205 1.00 0.00 C ATOM 0 H MET A 4 11.481 8.813 -12.155 1.00 0.00 H new ATOM 0 HA MET A 4 11.817 11.691 -11.629 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.495 10.593 -14.212 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.890 11.130 -13.760 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.384 13.290 -12.981 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.330 12.713 -14.339 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.857 15.035 -13.785 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.590 15.173 -13.404 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.955 15.858 -14.919 1.00 0.00 H new ATOM 73 N ALA A 5 8.950 11.602 -11.658 1.00 0.00 N ATOM 74 CA ALA A 5 7.653 11.573 -10.995 1.00 0.00 C ATOM 75 C ALA A 5 6.659 12.495 -11.702 1.00 0.00 C ATOM 76 O ALA A 5 6.904 13.695 -11.830 1.00 0.00 O ATOM 77 CB ALA A 5 7.802 11.974 -9.535 1.00 0.00 C ATOM 0 H ALA A 5 9.037 12.316 -12.381 1.00 0.00 H new ATOM 0 HA ALA A 5 7.265 10.556 -11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.826 11.949 -9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.475 11.279 -9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.211 12.982 -9.475 1.00 0.00 H new ATOM 83 N PRO A 6 5.522 11.952 -12.175 1.00 0.00 N ATOM 84 CA PRO A 6 4.502 12.745 -12.874 1.00 0.00 C ATOM 85 C PRO A 6 3.948 13.869 -12.001 1.00 0.00 C ATOM 86 O PRO A 6 3.924 13.755 -10.776 1.00 0.00 O ATOM 87 CB PRO A 6 3.402 11.726 -13.189 1.00 0.00 C ATOM 88 CG PRO A 6 4.071 10.397 -13.118 1.00 0.00 C ATOM 89 CD PRO A 6 5.142 10.533 -12.076 1.00 0.00 C ATOM 0 HA PRO A 6 4.908 13.237 -13.758 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.584 11.794 -12.471 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.975 11.900 -14.177 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.360 9.616 -12.849 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.497 10.122 -14.083 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.772 10.283 -11.082 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.987 9.874 -12.277 1.00 0.00 H new ATOM 97 N PRO A 7 3.498 14.979 -12.617 1.00 0.00 N ATOM 98 CA PRO A 7 2.947 16.125 -11.884 1.00 0.00 C ATOM 99 C PRO A 7 1.579 15.822 -11.279 1.00 0.00 C ATOM 100 O PRO A 7 1.219 14.662 -11.083 1.00 0.00 O ATOM 101 CB PRO A 7 2.823 17.222 -12.955 1.00 0.00 C ATOM 102 CG PRO A 7 3.582 16.716 -14.135 1.00 0.00 C ATOM 103 CD PRO A 7 3.489 15.221 -14.066 1.00 0.00 C ATOM 0 HA PRO A 7 3.580 16.405 -11.042 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.779 17.406 -13.209 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.235 18.166 -12.599 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.156 17.092 -15.065 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.620 17.046 -14.103 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.579 14.847 -14.536 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.328 14.737 -14.565 1.00 0.00 H new ATOM 111 N SER A 8 0.822 16.876 -10.992 1.00 0.00 N ATOM 112 CA SER A 8 -0.509 16.731 -10.415 1.00 0.00 C ATOM 113 C SER A 8 -1.580 17.042 -11.455 1.00 0.00 C ATOM 114 O SER A 8 -1.973 18.195 -11.630 1.00 0.00 O ATOM 115 CB SER A 8 -0.669 17.657 -9.208 1.00 0.00 C ATOM 116 OG SER A 8 0.515 18.400 -8.976 1.00 0.00 O ATOM 0 H SER A 8 1.109 17.842 -11.150 1.00 0.00 H new ATOM 0 HA SER A 8 -0.629 15.699 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.503 18.339 -9.376 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.912 17.068 -8.323 1.00 0.00 H new ATOM 0 HG SER A 8 0.387 18.986 -8.201 1.00 0.00 H new ATOM 122 N LEU A 9 -2.040 16.007 -12.150 1.00 0.00 N ATOM 123 CA LEU A 9 -3.058 16.172 -13.182 1.00 0.00 C ATOM 124 C LEU A 9 -4.459 16.220 -12.582 1.00 0.00 C ATOM 125 O LEU A 9 -4.782 15.466 -11.665 1.00 0.00 O ATOM 126 CB LEU A 9 -2.971 15.035 -14.202 1.00 0.00 C ATOM 127 CG LEU A 9 -3.926 15.165 -15.390 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.550 16.367 -16.241 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.923 13.896 -16.225 1.00 0.00 C ATOM 0 H LEU A 9 -1.725 15.046 -12.018 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.869 17.122 -13.682 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.950 14.981 -14.579 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.173 14.093 -13.693 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.935 15.315 -15.005 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.238 16.447 -17.082 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.608 17.273 -15.637 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.533 16.245 -16.614 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.609 14.011 -17.064 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.917 13.711 -16.602 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.241 13.055 -15.609 1.00 0.00 H new ATOM 141 N ASN A 10 -5.288 17.110 -13.118 1.00 0.00 N ATOM 142 CA ASN A 10 -6.660 17.261 -12.652 1.00 0.00 C ATOM 143 C ASN A 10 -7.510 17.956 -13.712 1.00 0.00 C ATOM 144 O ASN A 10 -7.225 19.088 -14.103 1.00 0.00 O ATOM 145 CB ASN A 10 -6.699 18.053 -11.343 1.00 0.00 C ATOM 146 CG ASN A 10 -6.119 19.446 -11.489 1.00 0.00 C ATOM 147 OD1 ASN A 10 -4.903 19.621 -11.546 1.00 0.00 O ATOM 148 ND2 ASN A 10 -6.991 20.447 -11.547 1.00 0.00 N ATOM 0 H ASN A 10 -5.031 17.739 -13.878 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.071 16.268 -12.470 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.730 18.127 -10.998 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.144 17.511 -10.577 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.660 21.407 -11.643 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.992 20.255 -11.496 1.00 0.00 H new ATOM 155 N VAL A 11 -8.548 17.271 -14.179 1.00 0.00 N ATOM 156 CA VAL A 11 -9.431 17.825 -15.198 1.00 0.00 C ATOM 157 C VAL A 11 -10.437 18.796 -14.586 1.00 0.00 C ATOM 158 O VAL A 11 -11.030 18.519 -13.542 1.00 0.00 O ATOM 159 CB VAL A 11 -10.194 16.711 -15.953 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.211 17.301 -16.922 1.00 0.00 C ATOM 161 CG2 VAL A 11 -9.223 15.806 -16.693 1.00 0.00 C ATOM 0 H VAL A 11 -8.798 16.332 -13.868 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.799 18.361 -15.906 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.734 16.117 -15.216 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.732 16.495 -17.438 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.932 17.904 -16.370 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.698 17.927 -17.652 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.778 15.029 -17.218 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.654 16.394 -17.413 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.540 15.345 -15.980 1.00 0.00 H new ATOM 171 N THR A 12 -10.626 19.928 -15.251 1.00 0.00 N ATOM 172 CA THR A 12 -11.563 20.944 -14.791 1.00 0.00 C ATOM 173 C THR A 12 -12.203 21.653 -15.967 1.00 0.00 C ATOM 174 O THR A 12 -11.526 22.259 -16.797 1.00 0.00 O ATOM 175 CB THR A 12 -10.868 21.957 -13.883 1.00 0.00 C ATOM 176 OG1 THR A 12 -10.227 22.961 -14.650 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.828 21.337 -12.977 1.00 0.00 C ATOM 0 H THR A 12 -10.140 20.166 -16.115 1.00 0.00 H new ATOM 0 HA THR A 12 -12.343 20.444 -14.217 1.00 0.00 H new ATOM 0 HB THR A 12 -11.660 22.378 -13.263 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.236 22.705 -15.596 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.374 22.112 -12.360 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.301 20.593 -12.336 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.058 20.858 -13.582 1.00 0.00 H new ATOM 185 N LYS A 13 -13.517 21.559 -16.025 1.00 0.00 N ATOM 186 CA LYS A 13 -14.285 22.177 -17.096 1.00 0.00 C ATOM 187 C LYS A 13 -14.668 23.610 -16.735 1.00 0.00 C ATOM 188 O LYS A 13 -14.373 24.085 -15.639 1.00 0.00 O ATOM 189 CB LYS A 13 -15.540 21.352 -17.390 1.00 0.00 C ATOM 190 CG LYS A 13 -16.619 21.484 -16.330 1.00 0.00 C ATOM 191 CD LYS A 13 -17.861 20.689 -16.694 1.00 0.00 C ATOM 192 CE LYS A 13 -18.880 21.547 -17.424 1.00 0.00 C ATOM 193 NZ LYS A 13 -20.277 21.190 -17.054 1.00 0.00 N ATOM 0 H LYS A 13 -14.081 21.057 -15.339 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.662 22.206 -17.990 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.949 21.659 -18.352 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.261 20.302 -17.483 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.233 21.137 -15.372 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.882 22.535 -16.207 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.581 19.843 -17.321 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.310 20.280 -15.789 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.701 22.597 -17.194 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.749 21.430 -18.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.941 21.787 -17.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.452 20.190 -17.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.416 21.343 -16.035 1.00 0.00 H new ATOM 207 N ASP A 14 -15.326 24.291 -17.666 1.00 0.00 N ATOM 208 CA ASP A 14 -15.753 25.669 -17.453 1.00 0.00 C ATOM 209 C ASP A 14 -16.990 25.979 -18.288 1.00 0.00 C ATOM 210 O ASP A 14 -17.053 26.997 -18.976 1.00 0.00 O ATOM 211 CB ASP A 14 -14.621 26.636 -17.809 1.00 0.00 C ATOM 212 CG ASP A 14 -14.589 27.848 -16.901 1.00 0.00 C ATOM 213 OD1 ASP A 14 -15.278 28.842 -17.211 1.00 0.00 O ATOM 214 OD2 ASP A 14 -13.875 27.803 -15.876 1.00 0.00 O ATOM 0 H ASP A 14 -15.576 23.910 -18.578 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.004 25.794 -16.400 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.667 26.113 -17.746 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.738 26.963 -18.842 1.00 0.00 H new ATOM 219 N GLY A 15 -17.970 25.083 -18.225 1.00 0.00 N ATOM 220 CA GLY A 15 -19.194 25.260 -18.982 1.00 0.00 C ATOM 221 C GLY A 15 -19.460 24.087 -19.903 1.00 0.00 C ATOM 222 O GLY A 15 -20.232 23.188 -19.570 1.00 0.00 O ATOM 0 H GLY A 15 -17.937 24.234 -17.660 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.032 25.380 -18.295 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.129 26.176 -19.569 1.00 0.00 H new ATOM 226 N ASP A 16 -18.808 24.091 -21.060 1.00 0.00 N ATOM 227 CA ASP A 16 -18.967 23.014 -22.029 1.00 0.00 C ATOM 228 C ASP A 16 -17.610 22.516 -22.534 1.00 0.00 C ATOM 229 O ASP A 16 -17.548 21.678 -23.433 1.00 0.00 O ATOM 230 CB ASP A 16 -19.821 23.482 -23.208 1.00 0.00 C ATOM 231 CG ASP A 16 -21.117 22.705 -23.324 1.00 0.00 C ATOM 232 OD1 ASP A 16 -21.078 21.463 -23.201 1.00 0.00 O ATOM 233 OD2 ASP A 16 -22.172 23.338 -23.538 1.00 0.00 O ATOM 0 H ASP A 16 -18.165 24.828 -21.349 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.469 22.187 -21.528 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.045 24.543 -23.093 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.252 23.375 -24.131 1.00 0.00 H new ATOM 238 N SER A 17 -16.527 23.030 -21.953 1.00 0.00 N ATOM 239 CA SER A 17 -15.183 22.628 -22.348 1.00 0.00 C ATOM 240 C SER A 17 -14.409 22.096 -21.149 1.00 0.00 C ATOM 241 O SER A 17 -14.656 22.498 -20.012 1.00 0.00 O ATOM 242 CB SER A 17 -14.434 23.809 -22.969 1.00 0.00 C ATOM 243 OG SER A 17 -13.533 23.372 -23.973 1.00 0.00 O ATOM 0 H SER A 17 -16.557 23.725 -21.207 1.00 0.00 H new ATOM 0 HA SER A 17 -15.269 21.834 -23.090 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.148 24.511 -23.398 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.887 24.345 -22.193 1.00 0.00 H new ATOM 0 HG SER A 17 -13.068 24.146 -24.355 1.00 0.00 H new ATOM 249 N TYR A 18 -13.474 21.189 -21.406 1.00 0.00 N ATOM 250 CA TYR A 18 -12.671 20.605 -20.340 1.00 0.00 C ATOM 251 C TYR A 18 -11.186 20.864 -20.565 1.00 0.00 C ATOM 252 O TYR A 18 -10.754 21.136 -21.686 1.00 0.00 O ATOM 253 CB TYR A 18 -12.930 19.102 -20.248 1.00 0.00 C ATOM 254 CG TYR A 18 -14.328 18.767 -19.786 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.428 19.083 -20.572 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.547 18.143 -18.566 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.710 18.787 -20.152 1.00 0.00 C ATOM 258 CE2 TYR A 18 -15.826 17.842 -18.141 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.904 18.167 -18.937 1.00 0.00 C ATOM 260 OH TYR A 18 -18.181 17.873 -18.514 1.00 0.00 O ATOM 0 H TYR A 18 -13.254 20.843 -22.340 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.961 21.078 -19.402 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.759 18.650 -21.225 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.211 18.657 -19.560 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.279 19.567 -21.526 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.705 17.889 -17.940 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.556 19.040 -20.773 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -15.981 17.354 -17.190 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.157 17.095 -17.919 1.00 0.00 H new ATOM 270 N SER A 19 -10.412 20.774 -19.490 1.00 0.00 N ATOM 271 CA SER A 19 -8.974 20.995 -19.561 1.00 0.00 C ATOM 272 C SER A 19 -8.271 20.327 -18.385 1.00 0.00 C ATOM 273 O SER A 19 -8.745 20.389 -17.252 1.00 0.00 O ATOM 274 CB SER A 19 -8.667 22.494 -19.573 1.00 0.00 C ATOM 275 OG SER A 19 -7.348 22.750 -19.125 1.00 0.00 O ATOM 0 H SER A 19 -10.758 20.549 -18.557 1.00 0.00 H new ATOM 0 HA SER A 19 -8.604 20.552 -20.485 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.794 22.886 -20.582 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.379 23.019 -18.936 1.00 0.00 H new ATOM 0 HG SER A 19 -6.748 22.818 -19.897 1.00 0.00 H new ATOM 281 N LEU A 20 -7.138 19.690 -18.661 1.00 0.00 N ATOM 282 CA LEU A 20 -6.374 19.013 -17.619 1.00 0.00 C ATOM 283 C LEU A 20 -5.336 19.953 -17.019 1.00 0.00 C ATOM 284 O LEU A 20 -4.512 20.522 -17.734 1.00 0.00 O ATOM 285 CB LEU A 20 -5.683 17.751 -18.160 1.00 0.00 C ATOM 286 CG LEU A 20 -5.984 17.400 -19.618 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.201 16.166 -20.038 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.474 17.181 -19.814 1.00 0.00 C ATOM 0 H LEU A 20 -6.730 19.628 -19.594 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.076 18.712 -16.841 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.606 17.875 -18.051 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.972 16.906 -17.535 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.675 18.234 -20.247 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.426 15.929 -21.078 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.133 16.359 -19.933 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.482 15.324 -19.405 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.671 16.932 -20.857 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.808 16.363 -19.176 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.013 18.091 -19.550 1.00 0.00 H new ATOM 300 N ARG A 21 -5.383 20.111 -15.704 1.00 0.00 N ATOM 301 CA ARG A 21 -4.447 20.981 -15.005 1.00 0.00 C ATOM 302 C ARG A 21 -3.321 20.166 -14.382 1.00 0.00 C ATOM 303 O ARG A 21 -3.562 19.294 -13.546 1.00 0.00 O ATOM 304 CB ARG A 21 -5.173 21.784 -13.925 1.00 0.00 C ATOM 305 CG ARG A 21 -4.618 23.186 -13.730 1.00 0.00 C ATOM 306 CD ARG A 21 -4.991 23.747 -12.367 1.00 0.00 C ATOM 307 NE ARG A 21 -3.875 24.448 -11.741 1.00 0.00 N ATOM 308 CZ ARG A 21 -4.017 25.322 -10.751 1.00 0.00 C ATOM 309 NH1 ARG A 21 -5.224 25.597 -10.274 1.00 0.00 N ATOM 310 NH2 ARG A 21 -2.953 25.922 -10.235 1.00 0.00 N ATOM 0 H ARG A 21 -6.060 19.647 -15.098 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.016 21.673 -15.729 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.229 21.854 -14.185 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.112 21.244 -12.980 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.533 23.167 -13.832 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.000 23.842 -14.512 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.834 24.430 -12.474 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.319 22.935 -11.718 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.933 24.256 -12.083 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.045 25.137 -10.668 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.331 26.268 -9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.023 25.713 -10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.064 26.593 -9.475 1.00 0.00 H new ATOM 324 N TRP A 22 -2.093 20.448 -14.799 1.00 0.00 N ATOM 325 CA TRP A 22 -0.933 19.732 -14.285 1.00 0.00 C ATOM 326 C TRP A 22 0.271 20.657 -14.150 1.00 0.00 C ATOM 327 O TRP A 22 0.621 21.381 -15.081 1.00 0.00 O ATOM 328 CB TRP A 22 -0.592 18.555 -15.201 1.00 0.00 C ATOM 329 CG TRP A 22 -0.174 18.971 -16.579 1.00 0.00 C ATOM 330 CD1 TRP A 22 1.078 19.332 -16.979 1.00 0.00 C ATOM 331 CD2 TRP A 22 -1.008 19.065 -17.739 1.00 0.00 C ATOM 332 NE1 TRP A 22 1.075 19.645 -18.317 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.195 19.487 -18.806 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.364 18.833 -17.980 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.694 19.680 -20.092 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.856 19.024 -19.257 1.00 0.00 C ATOM 337 CH2 TRP A 22 -2.024 19.443 -20.294 1.00 0.00 C ATOM 0 H TRP A 22 -1.875 21.166 -15.490 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.182 19.354 -13.293 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.210 17.972 -14.747 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.460 17.900 -15.276 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.946 19.367 -16.338 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.886 19.946 -18.858 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.017 18.510 -17.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.054 20.005 -20.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.903 18.846 -19.455 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.441 19.584 -21.280 1.00 0.00 H new ATOM 348 N GLU A 23 0.902 20.624 -12.979 1.00 0.00 N ATOM 349 CA GLU A 23 2.069 21.455 -12.712 1.00 0.00 C ATOM 350 C GLU A 23 3.168 20.640 -12.035 1.00 0.00 C ATOM 351 O GLU A 23 2.895 19.842 -11.137 1.00 0.00 O ATOM 352 CB GLU A 23 1.679 22.641 -11.827 1.00 0.00 C ATOM 353 CG GLU A 23 0.665 23.575 -12.470 1.00 0.00 C ATOM 354 CD GLU A 23 0.091 24.579 -11.489 1.00 0.00 C ATOM 355 OE1 GLU A 23 -0.357 24.157 -10.403 1.00 0.00 O ATOM 356 OE2 GLU A 23 0.089 25.786 -11.809 1.00 0.00 O ATOM 0 H GLU A 23 0.623 20.029 -12.199 1.00 0.00 H new ATOM 0 HA GLU A 23 2.450 21.828 -13.663 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.270 22.265 -10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.576 23.208 -11.578 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.139 24.108 -13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.146 22.986 -12.897 1.00 0.00 H new ATOM 363 N THR A 24 4.410 20.841 -12.467 1.00 0.00 N ATOM 364 CA THR A 24 5.540 20.116 -11.894 1.00 0.00 C ATOM 365 C THR A 24 6.063 20.820 -10.647 1.00 0.00 C ATOM 366 O THR A 24 6.117 22.049 -10.590 1.00 0.00 O ATOM 367 CB THR A 24 6.671 19.976 -12.917 1.00 0.00 C ATOM 368 OG1 THR A 24 6.900 21.204 -13.583 1.00 0.00 O ATOM 369 CG2 THR A 24 6.406 18.924 -13.974 1.00 0.00 C ATOM 0 H THR A 24 4.659 21.496 -13.208 1.00 0.00 H new ATOM 0 HA THR A 24 5.188 19.123 -11.616 1.00 0.00 H new ATOM 0 HB THR A 24 7.542 19.670 -12.337 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.627 21.094 -14.231 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.249 18.881 -14.664 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.278 17.953 -13.496 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.500 19.181 -14.524 1.00 0.00 H new ATOM 377 N MET A 25 6.455 20.031 -9.655 1.00 0.00 N ATOM 378 CA MET A 25 6.987 20.570 -8.408 1.00 0.00 C ATOM 379 C MET A 25 7.869 19.545 -7.705 1.00 0.00 C ATOM 380 O MET A 25 8.074 19.613 -6.493 1.00 0.00 O ATOM 381 CB MET A 25 5.852 21.006 -7.481 1.00 0.00 C ATOM 382 CG MET A 25 5.073 19.844 -6.887 1.00 0.00 C ATOM 383 SD MET A 25 3.454 20.338 -6.264 1.00 0.00 S ATOM 384 CE MET A 25 2.608 20.735 -7.791 1.00 0.00 C ATOM 0 H MET A 25 6.415 19.012 -9.689 1.00 0.00 H new ATOM 0 HA MET A 25 7.595 21.441 -8.653 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.266 21.607 -6.671 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.166 21.647 -8.036 1.00 0.00 H new ATOM 0 HG2 MET A 25 4.946 19.072 -7.646 1.00 0.00 H new ATOM 0 HG3 MET A 25 5.651 19.402 -6.075 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.532 20.746 -7.618 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.929 21.716 -8.141 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.847 19.985 -8.545 1.00 0.00 H new ATOM 394 N LYS A 26 8.398 18.603 -8.477 1.00 0.00 N ATOM 395 CA LYS A 26 9.270 17.568 -7.940 1.00 0.00 C ATOM 396 C LYS A 26 10.655 17.688 -8.562 1.00 0.00 C ATOM 397 O LYS A 26 11.392 16.707 -8.666 1.00 0.00 O ATOM 398 CB LYS A 26 8.687 16.184 -8.224 1.00 0.00 C ATOM 399 CG LYS A 26 7.646 15.741 -7.208 1.00 0.00 C ATOM 400 CD LYS A 26 6.237 15.884 -7.759 1.00 0.00 C ATOM 401 CE LYS A 26 5.834 14.671 -8.580 1.00 0.00 C ATOM 402 NZ LYS A 26 4.971 13.736 -7.804 1.00 0.00 N ATOM 0 H LYS A 26 8.236 18.536 -9.482 1.00 0.00 H new ATOM 0 HA LYS A 26 9.350 17.698 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.236 16.186 -9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.497 15.455 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.826 14.703 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.745 16.336 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.535 16.017 -6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.176 16.780 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.303 14.998 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.729 14.146 -8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.718 12.922 -8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.487 13.404 -6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.105 14.229 -7.506 1.00 0.00 H new ATOM 416 N MET A 27 10.990 18.902 -8.986 1.00 0.00 N ATOM 417 CA MET A 27 12.271 19.173 -9.613 1.00 0.00 C ATOM 418 C MET A 27 12.801 20.529 -9.170 1.00 0.00 C ATOM 419 O MET A 27 13.828 20.621 -8.498 1.00 0.00 O ATOM 420 CB MET A 27 12.115 19.149 -11.134 1.00 0.00 C ATOM 421 CG MET A 27 12.011 17.748 -11.707 1.00 0.00 C ATOM 422 SD MET A 27 11.208 17.706 -13.322 1.00 0.00 S ATOM 423 CE MET A 27 9.480 17.837 -12.865 1.00 0.00 C ATOM 0 H MET A 27 10.384 19.718 -8.904 1.00 0.00 H new ATOM 0 HA MET A 27 12.981 18.404 -9.310 1.00 0.00 H new ATOM 0 HB2 MET A 27 11.224 19.713 -11.409 1.00 0.00 H new ATOM 0 HB3 MET A 27 12.966 19.657 -11.587 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.010 17.321 -11.793 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.454 17.118 -11.014 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.857 17.664 -13.743 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.248 17.093 -12.103 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.282 18.834 -12.471 1.00 0.00 H new ATOM 433 N ARG A 28 12.085 21.579 -9.554 1.00 0.00 N ATOM 434 CA ARG A 28 12.468 22.937 -9.199 1.00 0.00 C ATOM 435 C ARG A 28 13.893 23.246 -9.656 1.00 0.00 C ATOM 436 O ARG A 28 14.525 24.174 -9.150 1.00 0.00 O ATOM 437 CB ARG A 28 12.345 23.139 -7.689 1.00 0.00 C ATOM 438 CG ARG A 28 10.924 23.429 -7.228 1.00 0.00 C ATOM 439 CD ARG A 28 10.834 23.496 -5.713 1.00 0.00 C ATOM 440 NE ARG A 28 10.010 24.614 -5.261 1.00 0.00 N ATOM 441 CZ ARG A 28 10.454 25.862 -5.161 1.00 0.00 C ATOM 442 NH1 ARG A 28 11.706 26.152 -5.489 1.00 0.00 N ATOM 443 NH2 ARG A 28 9.645 26.822 -4.736 1.00 0.00 N ATOM 0 H ARG A 28 11.234 21.514 -10.113 1.00 0.00 H new ATOM 0 HA ARG A 28 11.793 23.624 -9.709 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.708 22.246 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.992 23.963 -7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.587 24.373 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.254 22.654 -7.600 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.418 22.563 -5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.836 23.592 -5.295 1.00 0.00 H new ATOM 0 HE ARG A 28 9.040 24.426 -5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.330 25.416 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.044 27.111 -5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.681 26.603 -4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.987 27.780 -4.659 1.00 0.00 H new ATOM 457 N TYR A 29 14.395 22.471 -10.616 1.00 0.00 N ATOM 458 CA TYR A 29 15.744 22.683 -11.129 1.00 0.00 C ATOM 459 C TYR A 29 15.927 24.130 -11.580 1.00 0.00 C ATOM 460 O TYR A 29 16.507 24.945 -10.863 1.00 0.00 O ATOM 461 CB TYR A 29 16.027 21.730 -12.291 1.00 0.00 C ATOM 462 CG TYR A 29 16.709 20.447 -11.869 1.00 0.00 C ATOM 463 CD1 TYR A 29 17.918 20.473 -11.185 1.00 0.00 C ATOM 464 CD2 TYR A 29 16.140 19.211 -12.149 1.00 0.00 C ATOM 465 CE1 TYR A 29 18.543 19.304 -10.795 1.00 0.00 C ATOM 466 CE2 TYR A 29 16.758 18.037 -11.762 1.00 0.00 C ATOM 467 CZ TYR A 29 17.959 18.089 -11.087 1.00 0.00 C ATOM 468 OH TYR A 29 18.577 16.921 -10.700 1.00 0.00 O ATOM 0 H TYR A 29 13.892 21.697 -11.050 1.00 0.00 H new ATOM 0 HA TYR A 29 16.452 22.478 -10.326 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.088 21.486 -12.787 1.00 0.00 H new ATOM 0 HB3 TYR A 29 16.652 22.240 -13.024 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.377 21.423 -10.954 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.199 19.167 -12.678 1.00 0.00 H new ATOM 0 HE1 TYR A 29 19.483 19.341 -10.265 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.303 17.084 -11.987 1.00 0.00 H new ATOM 0 HH TYR A 29 18.034 16.155 -10.981 1.00 0.00 H new ATOM 478 N GLU A 30 15.418 24.442 -12.766 1.00 0.00 N ATOM 479 CA GLU A 30 15.513 25.792 -13.313 1.00 0.00 C ATOM 480 C GLU A 30 14.260 26.130 -14.112 1.00 0.00 C ATOM 481 O GLU A 30 13.331 26.755 -13.598 1.00 0.00 O ATOM 482 CB GLU A 30 16.753 25.924 -14.200 1.00 0.00 C ATOM 483 CG GLU A 30 18.046 26.105 -13.420 1.00 0.00 C ATOM 484 CD GLU A 30 19.273 26.058 -14.310 1.00 0.00 C ATOM 485 OE1 GLU A 30 19.385 25.111 -15.117 1.00 0.00 O ATOM 486 OE2 GLU A 30 20.122 26.967 -14.200 1.00 0.00 O ATOM 0 H GLU A 30 14.934 23.777 -13.369 1.00 0.00 H new ATOM 0 HA GLU A 30 15.601 26.494 -12.483 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.838 25.035 -14.825 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.621 26.774 -14.870 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.019 27.060 -12.894 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.121 25.326 -12.662 1.00 0.00 H new ATOM 493 N HIS A 31 14.236 25.699 -15.369 1.00 0.00 N ATOM 494 CA HIS A 31 13.094 25.940 -16.240 1.00 0.00 C ATOM 495 C HIS A 31 12.805 24.707 -17.081 1.00 0.00 C ATOM 496 O HIS A 31 11.686 24.194 -17.094 1.00 0.00 O ATOM 497 CB HIS A 31 13.348 27.151 -17.144 1.00 0.00 C ATOM 498 CG HIS A 31 14.649 27.091 -17.883 1.00 0.00 C ATOM 499 ND1 HIS A 31 14.754 26.670 -19.191 1.00 0.00 N ATOM 500 CD2 HIS A 31 15.906 27.399 -17.487 1.00 0.00 C ATOM 501 CE1 HIS A 31 16.020 26.720 -19.568 1.00 0.00 C ATOM 502 NE2 HIS A 31 16.738 27.160 -18.552 1.00 0.00 N ATOM 0 H HIS A 31 14.997 25.180 -15.807 1.00 0.00 H new ATOM 0 HA HIS A 31 12.225 26.153 -15.617 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.535 27.231 -17.865 1.00 0.00 H new ATOM 0 HB3 HIS A 31 13.327 28.056 -16.537 1.00 0.00 H new ATOM 0 HD2 HIS A 31 16.200 27.765 -16.514 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.401 26.447 -20.541 1.00 0.00 H new ATOM 0 HE2 HIS A 31 17.748 27.300 -18.557 1.00 0.00 H new ATOM 511 N ILE A 32 13.835 24.232 -17.761 1.00 0.00 N ATOM 512 CA ILE A 32 13.735 23.047 -18.605 1.00 0.00 C ATOM 513 C ILE A 32 12.584 23.166 -19.601 1.00 0.00 C ATOM 514 O ILE A 32 11.732 24.047 -19.483 1.00 0.00 O ATOM 515 CB ILE A 32 13.539 21.768 -17.762 1.00 0.00 C ATOM 516 CG1 ILE A 32 14.325 21.860 -16.452 1.00 0.00 C ATOM 517 CG2 ILE A 32 13.968 20.541 -18.551 1.00 0.00 C ATOM 518 CD1 ILE A 32 14.124 20.669 -15.540 1.00 0.00 C ATOM 0 H ILE A 32 14.763 24.654 -17.746 1.00 0.00 H new ATOM 0 HA ILE A 32 14.675 22.975 -19.152 1.00 0.00 H new ATOM 0 HB ILE A 32 12.480 21.675 -17.522 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.386 21.957 -16.681 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.029 22.766 -15.923 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.823 19.648 -17.942 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.368 20.463 -19.458 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.021 20.631 -18.819 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.711 20.803 -14.632 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.069 20.583 -15.281 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.447 19.762 -16.050 1.00 0.00 H new ATOM 530 N ASP A 33 12.563 22.270 -20.580 1.00 0.00 N ATOM 531 CA ASP A 33 11.512 22.267 -21.590 1.00 0.00 C ATOM 532 C ASP A 33 10.270 21.570 -21.045 1.00 0.00 C ATOM 533 O ASP A 33 9.140 21.984 -21.306 1.00 0.00 O ATOM 534 CB ASP A 33 12.000 21.564 -22.860 1.00 0.00 C ATOM 535 CG ASP A 33 11.490 22.230 -24.122 1.00 0.00 C ATOM 536 OD1 ASP A 33 10.263 22.438 -24.230 1.00 0.00 O ATOM 537 OD2 ASP A 33 12.316 22.543 -25.004 1.00 0.00 O ATOM 0 H ASP A 33 13.262 21.536 -20.696 1.00 0.00 H new ATOM 0 HA ASP A 33 11.258 23.297 -21.839 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.090 21.556 -22.872 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.674 20.524 -22.844 1.00 0.00 H new ATOM 542 N HIS A 34 10.501 20.512 -20.273 1.00 0.00 N ATOM 543 CA HIS A 34 9.425 19.737 -19.657 1.00 0.00 C ATOM 544 C HIS A 34 8.235 19.558 -20.598 1.00 0.00 C ATOM 545 O HIS A 34 7.222 20.246 -20.471 1.00 0.00 O ATOM 546 CB HIS A 34 8.968 20.403 -18.356 1.00 0.00 C ATOM 547 CG HIS A 34 9.879 20.133 -17.201 1.00 0.00 C ATOM 548 ND1 HIS A 34 9.972 20.959 -16.102 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.745 19.118 -16.981 1.00 0.00 C ATOM 550 CE1 HIS A 34 10.860 20.463 -15.258 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.344 19.346 -15.768 1.00 0.00 N ATOM 0 H HIS A 34 11.436 20.167 -20.056 1.00 0.00 H new ATOM 0 HA HIS A 34 9.824 18.747 -19.438 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.900 21.480 -18.512 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.966 20.052 -18.109 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.931 18.282 -17.639 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.142 20.898 -14.311 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.048 18.750 -15.332 1.00 0.00 H new ATOM 560 N THR A 35 8.359 18.617 -21.529 1.00 0.00 N ATOM 561 CA THR A 35 7.286 18.333 -22.474 1.00 0.00 C ATOM 562 C THR A 35 6.303 17.344 -21.856 1.00 0.00 C ATOM 563 O THR A 35 6.708 16.351 -21.254 1.00 0.00 O ATOM 564 CB THR A 35 7.852 17.770 -23.779 1.00 0.00 C ATOM 565 OG1 THR A 35 8.791 18.666 -24.347 1.00 0.00 O ATOM 566 CG2 THR A 35 6.791 17.497 -24.823 1.00 0.00 C ATOM 0 H THR A 35 9.191 18.039 -21.649 1.00 0.00 H new ATOM 0 HA THR A 35 6.764 19.263 -22.701 1.00 0.00 H new ATOM 0 HB THR A 35 8.322 16.826 -23.505 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.142 18.287 -25.180 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.260 17.100 -25.723 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.077 16.771 -24.435 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.271 18.424 -25.064 1.00 0.00 H new ATOM 574 N PHE A 36 5.014 17.630 -21.986 1.00 0.00 N ATOM 575 CA PHE A 36 3.987 16.767 -21.416 1.00 0.00 C ATOM 576 C PHE A 36 3.232 15.995 -22.491 1.00 0.00 C ATOM 577 O PHE A 36 2.755 16.570 -23.469 1.00 0.00 O ATOM 578 CB PHE A 36 3.010 17.599 -20.585 1.00 0.00 C ATOM 579 CG PHE A 36 3.685 18.430 -19.533 1.00 0.00 C ATOM 580 CD1 PHE A 36 3.942 17.903 -18.277 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.068 19.734 -19.801 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.566 18.662 -17.308 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.693 20.499 -18.834 1.00 0.00 C ATOM 584 CZ PHE A 36 4.942 19.962 -17.586 1.00 0.00 C ATOM 0 H PHE A 36 4.656 18.448 -22.478 1.00 0.00 H new ATOM 0 HA PHE A 36 4.485 16.038 -20.776 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.445 18.254 -21.249 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.292 16.933 -20.107 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.651 16.887 -18.054 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.876 20.157 -20.776 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.760 18.240 -16.333 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.986 21.515 -19.054 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.430 20.558 -16.829 1.00 0.00 H new ATOM 594 N GLU A 37 3.120 14.685 -22.290 1.00 0.00 N ATOM 595 CA GLU A 37 2.414 13.817 -23.226 1.00 0.00 C ATOM 596 C GLU A 37 1.005 13.531 -22.718 1.00 0.00 C ATOM 597 O GLU A 37 0.799 12.620 -21.916 1.00 0.00 O ATOM 598 CB GLU A 37 3.180 12.503 -23.409 1.00 0.00 C ATOM 599 CG GLU A 37 3.669 12.272 -24.829 1.00 0.00 C ATOM 600 CD GLU A 37 3.255 10.920 -25.374 1.00 0.00 C ATOM 601 OE1 GLU A 37 3.148 9.965 -24.577 1.00 0.00 O ATOM 602 OE2 GLU A 37 3.037 10.816 -26.599 1.00 0.00 O ATOM 0 H GLU A 37 3.512 14.200 -21.483 1.00 0.00 H new ATOM 0 HA GLU A 37 2.347 14.324 -24.189 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.036 12.495 -22.734 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.536 11.674 -23.117 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.277 13.056 -25.477 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.756 12.352 -24.853 1.00 0.00 H new ATOM 609 N ILE A 38 0.039 14.320 -23.178 1.00 0.00 N ATOM 610 CA ILE A 38 -1.346 14.153 -22.756 1.00 0.00 C ATOM 611 C ILE A 38 -2.036 13.034 -23.532 1.00 0.00 C ATOM 612 O ILE A 38 -2.008 13.003 -24.762 1.00 0.00 O ATOM 613 CB ILE A 38 -2.150 15.463 -22.919 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.560 16.559 -22.030 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.620 15.245 -22.579 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.567 17.449 -22.743 1.00 0.00 C ATOM 0 H ILE A 38 0.190 15.080 -23.842 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.320 13.885 -21.700 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.083 15.777 -23.961 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.371 17.174 -21.639 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.070 16.096 -21.174 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.164 16.181 -22.701 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.040 14.491 -23.245 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.708 14.906 -21.547 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.191 18.202 -22.051 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.264 16.846 -23.110 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.057 17.941 -23.583 1.00 0.00 H new ATOM 628 N GLN A 39 -2.665 12.128 -22.792 1.00 0.00 N ATOM 629 CA GLN A 39 -3.384 11.006 -23.384 1.00 0.00 C ATOM 630 C GLN A 39 -4.724 10.826 -22.679 1.00 0.00 C ATOM 631 O GLN A 39 -4.767 10.469 -21.503 1.00 0.00 O ATOM 632 CB GLN A 39 -2.554 9.725 -23.276 1.00 0.00 C ATOM 633 CG GLN A 39 -3.119 8.561 -24.072 1.00 0.00 C ATOM 634 CD GLN A 39 -2.140 7.409 -24.191 1.00 0.00 C ATOM 635 OE1 GLN A 39 -1.988 6.816 -25.259 1.00 0.00 O ATOM 636 NE2 GLN A 39 -1.469 7.087 -23.092 1.00 0.00 N ATOM 0 H GLN A 39 -2.691 12.150 -21.773 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.560 11.215 -24.439 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.540 9.930 -23.619 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.483 9.436 -22.227 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.033 8.209 -23.595 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.392 8.906 -25.069 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.626 7.606 -22.228 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.796 6.321 -23.112 1.00 0.00 H new ATOM 645 N TYR A 40 -5.814 11.096 -23.393 1.00 0.00 N ATOM 646 CA TYR A 40 -7.149 10.984 -22.811 1.00 0.00 C ATOM 647 C TYR A 40 -7.993 9.921 -23.508 1.00 0.00 C ATOM 648 O TYR A 40 -8.463 10.123 -24.629 1.00 0.00 O ATOM 649 CB TYR A 40 -7.867 12.336 -22.866 1.00 0.00 C ATOM 650 CG TYR A 40 -7.759 13.036 -24.204 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.573 13.642 -24.599 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.844 13.091 -25.072 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.470 14.282 -25.820 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.747 13.728 -26.295 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.560 14.322 -26.664 1.00 0.00 C ATOM 656 OH TYR A 40 -7.461 14.957 -27.879 1.00 0.00 O ATOM 0 H TYR A 40 -5.800 11.392 -24.369 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.023 10.678 -21.772 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.921 12.186 -22.630 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.456 12.986 -22.093 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.717 13.613 -23.941 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.777 12.629 -24.786 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.541 14.748 -26.112 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.598 13.760 -26.959 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.317 14.893 -28.352 1.00 0.00 H new ATOM 666 N ARG A 41 -8.205 8.797 -22.825 1.00 0.00 N ATOM 667 CA ARG A 41 -9.019 7.716 -23.364 1.00 0.00 C ATOM 668 C ARG A 41 -10.438 7.823 -22.820 1.00 0.00 C ATOM 669 O ARG A 41 -10.860 8.897 -22.389 1.00 0.00 O ATOM 670 CB ARG A 41 -8.401 6.348 -23.030 1.00 0.00 C ATOM 671 CG ARG A 41 -8.656 5.853 -21.612 1.00 0.00 C ATOM 672 CD ARG A 41 -8.888 4.352 -21.586 1.00 0.00 C ATOM 673 NE ARG A 41 -9.085 3.847 -20.232 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.168 2.555 -19.934 1.00 0.00 C ATOM 675 NH1 ARG A 41 -9.076 1.644 -20.895 1.00 0.00 N ATOM 676 NH2 ARG A 41 -9.344 2.170 -18.678 1.00 0.00 N ATOM 0 H ARG A 41 -7.823 8.614 -21.897 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.053 7.805 -24.450 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.790 5.610 -23.731 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.324 6.404 -23.191 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.805 6.103 -20.979 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.524 6.365 -21.196 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.761 4.111 -22.192 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.035 3.847 -22.040 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.163 4.523 -19.472 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.941 1.936 -21.863 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.140 0.652 -20.665 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.416 2.867 -17.936 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.407 1.177 -18.453 1.00 0.00 H new ATOM 690 N LYS A 42 -11.179 6.724 -22.833 1.00 0.00 N ATOM 691 CA LYS A 42 -12.547 6.751 -22.332 1.00 0.00 C ATOM 692 C LYS A 42 -12.945 5.445 -21.670 1.00 0.00 C ATOM 693 O LYS A 42 -12.332 4.401 -21.891 1.00 0.00 O ATOM 694 CB LYS A 42 -13.524 7.056 -23.466 1.00 0.00 C ATOM 695 CG LYS A 42 -12.978 8.034 -24.482 1.00 0.00 C ATOM 696 CD LYS A 42 -13.851 8.096 -25.725 1.00 0.00 C ATOM 697 CE LYS A 42 -13.204 7.382 -26.900 1.00 0.00 C ATOM 698 NZ LYS A 42 -12.947 8.306 -28.039 1.00 0.00 N ATOM 0 H LYS A 42 -10.864 5.817 -23.178 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.590 7.538 -21.579 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.784 6.126 -23.971 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.445 7.458 -23.044 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.911 9.025 -24.034 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.966 7.742 -24.762 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.820 7.644 -25.513 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.036 9.137 -25.989 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.265 6.932 -26.579 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.850 6.569 -27.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.505 7.780 -28.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.846 8.716 -28.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.310 9.068 -27.731 1.00 0.00 H new ATOM 712 N ASP A 43 -14.003 5.519 -20.873 1.00 0.00 N ATOM 713 CA ASP A 43 -14.530 4.355 -20.190 1.00 0.00 C ATOM 714 C ASP A 43 -15.101 3.364 -21.206 1.00 0.00 C ATOM 715 O ASP A 43 -15.376 2.210 -20.872 1.00 0.00 O ATOM 716 CB ASP A 43 -15.613 4.786 -19.190 1.00 0.00 C ATOM 717 CG ASP A 43 -16.425 3.620 -18.658 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.841 2.536 -18.449 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.645 3.791 -18.451 1.00 0.00 O ATOM 0 H ASP A 43 -14.513 6.382 -20.686 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.725 3.863 -19.644 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.143 5.305 -18.355 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.283 5.498 -19.672 1.00 0.00 H new ATOM 724 N THR A 44 -15.277 3.819 -22.450 1.00 0.00 N ATOM 725 CA THR A 44 -15.813 2.969 -23.504 1.00 0.00 C ATOM 726 C THR A 44 -14.698 2.479 -24.421 1.00 0.00 C ATOM 727 O THR A 44 -14.657 1.306 -24.793 1.00 0.00 O ATOM 728 CB THR A 44 -16.862 3.731 -24.315 1.00 0.00 C ATOM 729 OG1 THR A 44 -17.968 4.078 -23.501 1.00 0.00 O ATOM 730 CG2 THR A 44 -17.391 2.950 -25.498 1.00 0.00 C ATOM 0 H THR A 44 -15.055 4.770 -22.746 1.00 0.00 H new ATOM 0 HA THR A 44 -16.284 2.103 -23.039 1.00 0.00 H new ATOM 0 HB THR A 44 -16.350 4.618 -24.687 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.628 4.566 -24.036 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.131 3.550 -26.028 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.569 2.709 -26.172 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.855 2.028 -25.147 1.00 0.00 H new ATOM 738 N ALA A 45 -13.791 3.383 -24.780 1.00 0.00 N ATOM 739 CA ALA A 45 -12.674 3.036 -25.650 1.00 0.00 C ATOM 740 C ALA A 45 -11.423 2.729 -24.837 1.00 0.00 C ATOM 741 O ALA A 45 -11.385 2.960 -23.627 1.00 0.00 O ATOM 742 CB ALA A 45 -12.402 4.161 -26.636 1.00 0.00 C ATOM 0 H ALA A 45 -13.808 4.358 -24.482 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.944 2.139 -26.207 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.565 3.887 -27.279 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.288 4.331 -27.247 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.157 5.072 -26.090 1.00 0.00 H new ATOM 748 N THR A 46 -10.401 2.209 -25.506 1.00 0.00 N ATOM 749 CA THR A 46 -9.149 1.869 -24.844 1.00 0.00 C ATOM 750 C THR A 46 -8.167 3.034 -24.903 1.00 0.00 C ATOM 751 O THR A 46 -8.424 4.044 -25.557 1.00 0.00 O ATOM 752 CB THR A 46 -8.526 0.630 -25.489 1.00 0.00 C ATOM 753 OG1 THR A 46 -8.552 0.735 -26.901 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.228 -0.658 -25.113 1.00 0.00 C ATOM 0 H THR A 46 -10.415 2.014 -26.507 1.00 0.00 H new ATOM 0 HA THR A 46 -9.368 1.655 -23.798 1.00 0.00 H new ATOM 0 HB THR A 46 -7.504 0.591 -25.113 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.148 -0.066 -27.296 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.736 -1.497 -25.604 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.185 -0.794 -24.032 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.269 -0.611 -25.431 1.00 0.00 H new ATOM 762 N TRP A 47 -7.041 2.884 -24.214 1.00 0.00 N ATOM 763 CA TRP A 47 -6.014 3.919 -24.186 1.00 0.00 C ATOM 764 C TRP A 47 -5.308 4.030 -25.534 1.00 0.00 C ATOM 765 O TRP A 47 -4.718 5.061 -25.853 1.00 0.00 O ATOM 766 CB TRP A 47 -4.993 3.618 -23.089 1.00 0.00 C ATOM 767 CG TRP A 47 -5.525 3.830 -21.704 1.00 0.00 C ATOM 768 CD1 TRP A 47 -6.059 2.885 -20.877 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.573 5.068 -20.985 1.00 0.00 C ATOM 770 NE1 TRP A 47 -6.436 3.458 -19.687 1.00 0.00 N ATOM 771 CE2 TRP A 47 -6.149 4.797 -19.729 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.186 6.378 -21.282 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -6.345 5.789 -18.771 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.381 7.361 -20.330 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.956 7.062 -19.088 1.00 0.00 C ATOM 0 H TRP A 47 -6.816 2.054 -23.666 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.501 4.871 -23.975 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.659 2.585 -23.188 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.118 4.251 -23.234 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.169 1.839 -21.122 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.860 2.967 -18.900 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.743 6.618 -22.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.788 5.562 -17.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.085 8.377 -20.547 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.095 7.853 -18.366 1.00 0.00 H new ATOM 786 N LYS A 48 -5.369 2.962 -26.323 1.00 0.00 N ATOM 787 CA LYS A 48 -4.732 2.945 -27.634 1.00 0.00 C ATOM 788 C LYS A 48 -5.406 3.932 -28.583 1.00 0.00 C ATOM 789 O LYS A 48 -4.747 4.562 -29.410 1.00 0.00 O ATOM 790 CB LYS A 48 -4.783 1.534 -28.224 1.00 0.00 C ATOM 791 CG LYS A 48 -3.553 0.700 -27.908 1.00 0.00 C ATOM 792 CD LYS A 48 -3.928 -0.609 -27.231 1.00 0.00 C ATOM 793 CE LYS A 48 -4.685 -1.529 -28.174 1.00 0.00 C ATOM 794 NZ LYS A 48 -5.060 -2.811 -27.517 1.00 0.00 N ATOM 0 H LYS A 48 -5.853 2.098 -26.077 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.692 3.246 -27.511 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.667 1.022 -27.844 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.896 1.605 -29.306 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.007 0.492 -28.828 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.884 1.267 -27.261 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.026 -1.109 -26.880 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.540 -0.403 -26.353 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.585 -1.026 -28.528 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.070 -1.736 -29.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.575 -3.410 -28.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.200 -3.304 -27.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.668 -2.616 -26.696 1.00 0.00 H new ATOM 808 N ASP A 49 -6.723 4.060 -28.457 1.00 0.00 N ATOM 809 CA ASP A 49 -7.490 4.968 -29.303 1.00 0.00 C ATOM 810 C ASP A 49 -7.401 6.406 -28.802 1.00 0.00 C ATOM 811 O ASP A 49 -7.604 7.351 -29.563 1.00 0.00 O ATOM 812 CB ASP A 49 -8.955 4.531 -29.348 1.00 0.00 C ATOM 813 CG ASP A 49 -9.594 4.787 -30.699 1.00 0.00 C ATOM 814 OD1 ASP A 49 -9.812 5.969 -31.036 1.00 0.00 O ATOM 815 OD2 ASP A 49 -9.872 3.806 -31.419 1.00 0.00 O ATOM 0 H ASP A 49 -7.282 3.546 -27.776 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.064 4.929 -30.305 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.022 3.469 -29.113 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.514 5.063 -28.578 1.00 0.00 H new ATOM 820 N SER A 50 -7.107 6.564 -27.516 1.00 0.00 N ATOM 821 CA SER A 50 -7.002 7.886 -26.907 1.00 0.00 C ATOM 822 C SER A 50 -6.160 8.830 -27.759 1.00 0.00 C ATOM 823 O SER A 50 -5.216 8.410 -28.427 1.00 0.00 O ATOM 824 CB SER A 50 -6.395 7.776 -25.509 1.00 0.00 C ATOM 825 OG SER A 50 -5.020 7.442 -25.576 1.00 0.00 O ATOM 0 H SER A 50 -6.937 5.791 -26.873 1.00 0.00 H new ATOM 0 HA SER A 50 -8.009 8.298 -26.837 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.518 8.721 -24.980 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.929 7.018 -24.936 1.00 0.00 H new ATOM 0 HG SER A 50 -4.880 6.554 -25.186 1.00 0.00 H new ATOM 831 N LYS A 51 -6.507 10.114 -27.720 1.00 0.00 N ATOM 832 CA LYS A 51 -5.781 11.126 -28.476 1.00 0.00 C ATOM 833 C LYS A 51 -4.498 11.512 -27.748 1.00 0.00 C ATOM 834 O LYS A 51 -4.515 11.795 -26.552 1.00 0.00 O ATOM 835 CB LYS A 51 -6.655 12.365 -28.686 1.00 0.00 C ATOM 836 CG LYS A 51 -7.092 12.563 -30.128 1.00 0.00 C ATOM 837 CD LYS A 51 -6.546 13.860 -30.703 1.00 0.00 C ATOM 838 CE LYS A 51 -7.389 14.349 -31.870 1.00 0.00 C ATOM 839 NZ LYS A 51 -8.781 14.675 -31.452 1.00 0.00 N ATOM 0 H LYS A 51 -7.287 10.477 -27.172 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.523 10.709 -29.449 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.540 12.287 -28.054 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.106 13.247 -28.357 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.748 11.723 -30.732 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.181 12.570 -30.182 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.522 14.623 -29.925 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.518 13.709 -31.033 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.925 15.233 -32.308 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.413 13.584 -32.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.181 15.383 -32.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.362 13.813 -31.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.773 15.057 -30.485 1.00 0.00 H new ATOM 853 N THR A 52 -3.386 11.513 -28.474 1.00 0.00 N ATOM 854 CA THR A 52 -2.098 11.856 -27.885 1.00 0.00 C ATOM 855 C THR A 52 -1.653 13.254 -28.300 1.00 0.00 C ATOM 856 O THR A 52 -1.367 13.502 -29.472 1.00 0.00 O ATOM 857 CB THR A 52 -1.037 10.835 -28.294 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.353 9.550 -27.789 1.00 0.00 O ATOM 859 CG2 THR A 52 0.353 11.191 -27.808 1.00 0.00 C ATOM 0 H THR A 52 -3.350 11.281 -29.467 1.00 0.00 H new ATOM 0 HA THR A 52 -2.215 11.841 -26.801 1.00 0.00 H new ATOM 0 HB THR A 52 -1.037 10.840 -29.384 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.662 8.912 -28.064 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.059 10.426 -28.132 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.648 12.155 -28.222 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.354 11.248 -26.720 1.00 0.00 H new ATOM 867 N GLU A 53 -1.580 14.159 -27.331 1.00 0.00 N ATOM 868 CA GLU A 53 -1.151 15.524 -27.597 1.00 0.00 C ATOM 869 C GLU A 53 0.165 15.813 -26.887 1.00 0.00 C ATOM 870 O GLU A 53 0.407 15.325 -25.783 1.00 0.00 O ATOM 871 CB GLU A 53 -2.215 16.527 -27.155 1.00 0.00 C ATOM 872 CG GLU A 53 -3.500 16.443 -27.961 1.00 0.00 C ATOM 873 CD GLU A 53 -3.953 17.795 -28.476 1.00 0.00 C ATOM 874 OE1 GLU A 53 -3.088 18.592 -28.898 1.00 0.00 O ATOM 875 OE2 GLU A 53 -5.174 18.058 -28.458 1.00 0.00 O ATOM 0 H GLU A 53 -1.812 13.971 -26.356 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.005 15.629 -28.672 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.444 16.361 -26.102 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.809 17.535 -27.238 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.353 15.768 -28.804 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.286 16.012 -27.341 1.00 0.00 H new ATOM 882 N THR A 54 1.014 16.599 -27.531 1.00 0.00 N ATOM 883 CA THR A 54 2.309 16.943 -26.973 1.00 0.00 C ATOM 884 C THR A 54 2.355 18.411 -26.557 1.00 0.00 C ATOM 885 O THR A 54 2.629 19.290 -27.373 1.00 0.00 O ATOM 886 CB THR A 54 3.400 16.653 -28.000 1.00 0.00 C ATOM 887 OG1 THR A 54 2.905 16.819 -29.317 1.00 0.00 O ATOM 888 CG2 THR A 54 3.963 15.252 -27.894 1.00 0.00 C ATOM 0 H THR A 54 0.826 17.011 -28.445 1.00 0.00 H new ATOM 0 HA THR A 54 2.476 16.337 -26.083 1.00 0.00 H new ATOM 0 HB THR A 54 4.197 17.365 -27.785 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.619 16.630 -29.961 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.734 15.111 -28.652 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.397 15.108 -26.904 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.165 14.526 -28.049 1.00 0.00 H new ATOM 896 N LEU A 55 2.089 18.666 -25.280 1.00 0.00 N ATOM 897 CA LEU A 55 2.104 20.025 -24.752 1.00 0.00 C ATOM 898 C LEU A 55 3.526 20.454 -24.406 1.00 0.00 C ATOM 899 O LEU A 55 4.164 19.870 -23.530 1.00 0.00 O ATOM 900 CB LEU A 55 1.211 20.126 -23.514 1.00 0.00 C ATOM 901 CG LEU A 55 -0.206 20.637 -23.779 1.00 0.00 C ATOM 902 CD1 LEU A 55 -0.183 22.119 -24.110 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.853 19.847 -24.906 1.00 0.00 C ATOM 0 H LEU A 55 1.860 17.949 -24.592 1.00 0.00 H new ATOM 0 HA LEU A 55 1.717 20.693 -25.522 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.145 19.142 -23.051 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.690 20.787 -22.792 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.799 20.496 -22.876 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.199 22.466 -24.296 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.242 22.672 -23.273 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.425 22.284 -25.000 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.861 20.223 -25.082 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.261 19.957 -25.814 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.902 18.794 -24.630 1.00 0.00 H new ATOM 915 N GLN A 56 4.018 21.474 -25.099 1.00 0.00 N ATOM 916 CA GLN A 56 5.366 21.975 -24.861 1.00 0.00 C ATOM 917 C GLN A 56 5.396 22.906 -23.653 1.00 0.00 C ATOM 918 O GLN A 56 4.813 23.989 -23.676 1.00 0.00 O ATOM 919 CB GLN A 56 5.886 22.705 -26.101 1.00 0.00 C ATOM 920 CG GLN A 56 7.188 22.135 -26.640 1.00 0.00 C ATOM 921 CD GLN A 56 7.102 20.647 -26.921 1.00 0.00 C ATOM 922 OE1 GLN A 56 6.013 20.080 -27.005 1.00 0.00 O ATOM 923 NE2 GLN A 56 8.256 20.005 -27.067 1.00 0.00 N ATOM 0 H GLN A 56 3.505 21.969 -25.828 1.00 0.00 H new ATOM 0 HA GLN A 56 6.013 21.123 -24.653 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.128 22.661 -26.883 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.033 23.757 -25.858 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.458 22.659 -27.557 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.986 22.320 -25.921 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.136 20.514 -26.989 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.262 19.003 -27.257 1.00 0.00 H new ATOM 932 N ASN A 57 6.082 22.473 -22.596 1.00 0.00 N ATOM 933 CA ASN A 57 6.193 23.262 -21.367 1.00 0.00 C ATOM 934 C ASN A 57 4.847 23.867 -20.976 1.00 0.00 C ATOM 935 O ASN A 57 4.782 24.986 -20.465 1.00 0.00 O ATOM 936 CB ASN A 57 7.246 24.373 -21.510 1.00 0.00 C ATOM 937 CG ASN A 57 7.505 24.780 -22.948 1.00 0.00 C ATOM 938 OD1 ASN A 57 6.830 25.657 -23.489 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.486 24.142 -23.574 1.00 0.00 N ATOM 0 H ASN A 57 6.571 21.578 -22.565 1.00 0.00 H new ATOM 0 HA ASN A 57 6.512 22.583 -20.576 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.919 25.247 -20.947 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.181 24.036 -21.062 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.707 24.372 -24.543 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.019 23.422 -23.086 1.00 0.00 H new ATOM 946 N ALA A 58 3.776 23.118 -21.219 1.00 0.00 N ATOM 947 CA ALA A 58 2.431 23.574 -20.891 1.00 0.00 C ATOM 948 C ALA A 58 1.894 22.854 -19.660 1.00 0.00 C ATOM 949 O ALA A 58 2.069 21.644 -19.511 1.00 0.00 O ATOM 950 CB ALA A 58 1.501 23.360 -22.075 1.00 0.00 C ATOM 0 H ALA A 58 3.814 22.191 -21.643 1.00 0.00 H new ATOM 0 HA ALA A 58 2.478 24.639 -20.666 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.499 23.704 -21.818 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.869 23.923 -22.933 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.467 22.299 -22.324 1.00 0.00 H new ATOM 956 N HIS A 59 1.241 23.603 -18.778 1.00 0.00 N ATOM 957 CA HIS A 59 0.682 23.029 -17.559 1.00 0.00 C ATOM 958 C HIS A 59 -0.811 22.747 -17.711 1.00 0.00 C ATOM 959 O HIS A 59 -1.525 22.595 -16.719 1.00 0.00 O ATOM 960 CB HIS A 59 0.919 23.970 -16.377 1.00 0.00 C ATOM 961 CG HIS A 59 2.294 23.863 -15.795 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.822 24.800 -14.931 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.254 22.920 -15.956 1.00 0.00 C ATOM 964 CE1 HIS A 59 4.045 24.440 -14.587 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.331 23.303 -15.195 1.00 0.00 N ATOM 0 H HIS A 59 1.086 24.606 -18.884 1.00 0.00 H new ATOM 0 HA HIS A 59 1.187 22.081 -17.372 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.749 24.997 -16.701 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.186 23.755 -15.599 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.185 22.033 -16.568 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.700 24.983 -13.922 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.210 22.792 -15.113 1.00 0.00 H new ATOM 974 N SER A 60 -1.278 22.669 -18.957 1.00 0.00 N ATOM 975 CA SER A 60 -2.685 22.397 -19.232 1.00 0.00 C ATOM 976 C SER A 60 -2.980 22.495 -20.725 1.00 0.00 C ATOM 977 O SER A 60 -2.314 23.232 -21.452 1.00 0.00 O ATOM 978 CB SER A 60 -3.586 23.365 -18.465 1.00 0.00 C ATOM 979 OG SER A 60 -3.213 24.710 -18.708 1.00 0.00 O ATOM 0 H SER A 60 -0.702 22.790 -19.790 1.00 0.00 H new ATOM 0 HA SER A 60 -2.894 21.380 -18.900 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.624 23.213 -18.761 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.525 23.155 -17.397 1.00 0.00 H new ATOM 0 HG SER A 60 -3.805 25.309 -18.207 1.00 0.00 H new ATOM 985 N MET A 61 -3.990 21.755 -21.174 1.00 0.00 N ATOM 986 CA MET A 61 -4.379 21.767 -22.577 1.00 0.00 C ATOM 987 C MET A 61 -5.844 22.175 -22.712 1.00 0.00 C ATOM 988 O MET A 61 -6.409 22.788 -21.806 1.00 0.00 O ATOM 989 CB MET A 61 -4.152 20.391 -23.205 1.00 0.00 C ATOM 990 CG MET A 61 -5.093 19.323 -22.676 1.00 0.00 C ATOM 991 SD MET A 61 -5.831 18.328 -23.987 1.00 0.00 S ATOM 992 CE MET A 61 -4.461 18.203 -25.133 1.00 0.00 C ATOM 0 H MET A 61 -4.552 21.140 -20.585 1.00 0.00 H new ATOM 0 HA MET A 61 -3.762 22.494 -23.104 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.273 20.469 -24.285 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.123 20.081 -23.021 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.548 18.670 -21.994 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.885 19.798 -22.097 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.508 17.246 -25.653 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.519 19.014 -25.859 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.521 18.273 -24.585 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.457 21.831 -23.838 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.855 22.163 -24.072 1.00 0.00 C ATOM 1004 C ALA A 62 -8.569 21.027 -24.794 1.00 0.00 C ATOM 1005 O ALA A 62 -8.782 21.091 -26.004 1.00 0.00 O ATOM 1006 CB ALA A 62 -7.967 23.453 -24.871 1.00 0.00 C ATOM 0 H ALA A 62 -6.009 21.324 -24.601 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.337 22.308 -23.105 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.018 23.688 -25.038 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.497 24.266 -24.317 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.466 23.331 -25.831 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.929 19.986 -24.040 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.622 18.818 -24.602 1.00 0.00 C ATOM 1014 C LEU A 63 -10.638 19.231 -25.671 1.00 0.00 C ATOM 1015 O LEU A 63 -11.720 19.724 -25.353 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.331 18.039 -23.493 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.419 17.513 -22.383 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.237 17.125 -21.160 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.603 16.330 -22.879 1.00 0.00 C ATOM 0 H LEU A 63 -8.753 19.925 -23.037 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.871 18.182 -25.071 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.088 18.683 -23.045 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.855 17.195 -23.941 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.730 18.308 -22.097 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.572 16.753 -20.381 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.776 17.998 -20.791 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.950 16.346 -21.431 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.960 15.969 -22.076 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.275 15.531 -23.193 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.988 16.641 -23.724 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.290 19.051 -26.957 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.155 19.420 -28.068 1.00 0.00 C ATOM 1033 C PRO A 64 -12.103 18.302 -28.501 1.00 0.00 C ATOM 1034 O PRO A 64 -13.322 18.438 -28.393 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.156 19.741 -29.179 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.933 18.931 -28.876 1.00 0.00 C ATOM 1037 CD PRO A 64 -9.014 18.492 -27.431 1.00 0.00 C ATOM 0 HA PRO A 64 -11.821 20.242 -27.806 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.563 19.484 -30.157 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.924 20.806 -29.200 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.876 18.065 -29.535 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.032 19.521 -29.046 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.998 17.406 -27.343 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.173 18.872 -26.851 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.542 17.208 -29.008 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.351 16.086 -29.472 1.00 0.00 C ATOM 1047 C ALA A 65 -12.613 15.073 -28.363 1.00 0.00 C ATOM 1048 O ALA A 65 -11.735 14.287 -28.007 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.679 15.406 -30.655 1.00 0.00 C ATOM 0 H ALA A 65 -10.536 17.075 -29.108 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.315 16.486 -29.785 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.293 14.571 -30.991 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.563 16.122 -31.469 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.698 15.037 -30.354 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.832 15.085 -27.834 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.217 14.153 -26.781 1.00 0.00 C ATOM 1057 C LEU A 66 -15.530 13.460 -27.142 1.00 0.00 C ATOM 1058 O LEU A 66 -15.945 13.469 -28.300 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.342 14.871 -25.431 1.00 0.00 C ATOM 1060 CG LEU A 66 -13.175 15.798 -25.064 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -13.194 16.117 -23.576 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.842 15.176 -25.454 1.00 0.00 C ATOM 0 H LEU A 66 -14.570 15.730 -28.117 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.436 13.398 -26.690 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.261 15.457 -25.435 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.446 14.120 -24.648 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.294 16.727 -25.622 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.359 16.775 -23.334 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.132 16.611 -23.322 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.105 15.193 -23.005 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.032 15.853 -25.183 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.715 14.229 -24.929 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.824 15.000 -26.530 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.179 12.856 -26.151 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.440 12.159 -26.384 1.00 0.00 C ATOM 1076 C GLU A 67 -18.517 12.628 -25.410 1.00 0.00 C ATOM 1077 O GLU A 67 -18.225 12.966 -24.264 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.241 10.648 -26.256 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.575 9.884 -27.527 1.00 0.00 C ATOM 1080 CD GLU A 67 -18.475 8.691 -27.271 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -18.597 8.282 -26.097 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -19.057 8.167 -28.244 1.00 0.00 O ATOM 0 H GLU A 67 -15.855 12.835 -25.184 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.771 12.392 -27.396 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.205 10.448 -25.982 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.863 10.275 -25.443 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.062 10.557 -28.233 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.651 9.544 -27.995 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.783 12.655 -25.859 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.908 13.086 -25.030 1.00 0.00 C ATOM 1091 C PRO A 68 -21.409 11.983 -24.102 1.00 0.00 C ATOM 1092 O PRO A 68 -21.510 10.822 -24.498 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.973 13.438 -26.061 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.704 12.522 -27.205 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.216 12.273 -27.217 1.00 0.00 C ATOM 0 HA PRO A 68 -20.638 13.907 -24.366 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.976 13.290 -25.661 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.902 14.483 -26.364 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.252 11.587 -27.090 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -22.030 12.969 -28.144 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -19.987 11.229 -27.431 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.717 12.871 -27.979 1.00 0.00 H new ATOM 1103 N SER A 69 -21.725 12.356 -22.865 1.00 0.00 N ATOM 1104 CA SER A 69 -22.221 11.401 -21.879 1.00 0.00 C ATOM 1105 C SER A 69 -21.343 10.155 -21.828 1.00 0.00 C ATOM 1106 O SER A 69 -21.831 9.034 -21.963 1.00 0.00 O ATOM 1107 CB SER A 69 -23.664 11.007 -22.201 1.00 0.00 C ATOM 1108 OG SER A 69 -24.064 9.874 -21.451 1.00 0.00 O ATOM 0 H SER A 69 -21.646 13.313 -22.522 1.00 0.00 H new ATOM 0 HA SER A 69 -22.189 11.883 -20.902 1.00 0.00 H new ATOM 0 HB2 SER A 69 -24.329 11.843 -21.985 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.757 10.793 -23.266 1.00 0.00 H new ATOM 0 HG SER A 69 -23.493 9.111 -21.681 1.00 0.00 H new ATOM 1114 N THR A 70 -20.045 10.360 -21.633 1.00 0.00 N ATOM 1115 CA THR A 70 -19.099 9.255 -21.563 1.00 0.00 C ATOM 1116 C THR A 70 -17.946 9.592 -20.627 1.00 0.00 C ATOM 1117 O THR A 70 -17.545 10.750 -20.512 1.00 0.00 O ATOM 1118 CB THR A 70 -18.560 8.930 -22.958 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.609 8.514 -23.815 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.510 7.839 -22.957 1.00 0.00 C ATOM 0 H THR A 70 -19.625 11.283 -21.521 1.00 0.00 H new ATOM 0 HA THR A 70 -19.622 8.382 -21.171 1.00 0.00 H new ATOM 0 HB THR A 70 -18.101 9.853 -23.312 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.398 8.769 -24.737 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.171 7.659 -23.977 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.664 8.149 -22.343 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.938 6.923 -22.550 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.416 8.576 -19.957 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.308 8.772 -19.032 1.00 0.00 C ATOM 1130 C ARG A 71 -14.993 8.878 -19.792 1.00 0.00 C ATOM 1131 O ARG A 71 -14.774 8.173 -20.776 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.243 7.620 -18.028 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.719 8.002 -16.635 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.109 7.103 -15.572 1.00 0.00 C ATOM 1135 NE ARG A 71 -16.329 5.688 -15.857 1.00 0.00 N ATOM 1136 CZ ARG A 71 -17.483 5.064 -15.638 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -18.516 5.733 -15.141 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -17.606 3.773 -15.916 1.00 0.00 N ATOM 0 H ARG A 71 -17.735 7.610 -20.037 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.473 9.702 -18.489 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.850 6.793 -18.396 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.216 7.260 -17.966 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.455 9.040 -16.431 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.806 7.935 -16.590 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.038 7.297 -15.505 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.539 7.348 -14.601 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.555 5.148 -16.245 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.425 6.726 -14.927 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.401 5.254 -14.973 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.814 3.256 -16.299 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.492 3.297 -15.747 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.121 9.770 -19.336 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.833 9.969 -19.986 1.00 0.00 C ATOM 1154 C TYR A 72 -11.679 9.770 -19.013 1.00 0.00 C ATOM 1155 O TYR A 72 -11.596 10.437 -17.982 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.763 11.365 -20.608 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.042 11.366 -22.093 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.338 11.232 -22.573 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -12.011 11.494 -23.015 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.599 11.225 -23.929 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.264 11.488 -24.374 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.559 11.353 -24.825 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.817 11.341 -26.177 1.00 0.00 O ATOM 0 H TYR A 72 -14.282 10.364 -18.523 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.739 9.221 -20.773 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.481 12.015 -20.109 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.774 11.787 -20.430 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.155 11.132 -21.874 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.995 11.600 -22.664 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.613 11.120 -24.286 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.451 11.589 -25.078 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.082 10.894 -26.646 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.782 8.853 -19.361 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.618 8.564 -18.532 1.00 0.00 C ATOM 1175 C TRP A 73 -8.362 9.127 -19.183 1.00 0.00 C ATOM 1176 O TRP A 73 -7.945 8.665 -20.246 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.474 7.055 -18.321 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.626 6.450 -17.581 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.891 6.246 -18.056 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.621 5.973 -16.232 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.671 5.673 -17.081 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.914 5.495 -15.953 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.647 5.904 -15.233 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.258 4.956 -14.716 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.988 5.369 -14.006 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.284 4.901 -13.756 1.00 0.00 C ATOM 0 H TRP A 73 -10.840 8.296 -20.214 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.755 9.037 -17.560 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.377 6.567 -19.291 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.554 6.858 -17.771 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.228 6.498 -19.051 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.654 5.421 -17.181 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.645 6.263 -15.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.257 4.595 -14.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.243 5.311 -13.227 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.520 4.488 -12.786 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.772 10.140 -18.559 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.580 10.768 -19.110 1.00 0.00 C ATOM 1199 C ALA A 74 -5.373 10.636 -18.189 1.00 0.00 C ATOM 1200 O ALA A 74 -5.487 10.214 -17.039 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.852 12.234 -19.414 1.00 0.00 C ATOM 0 H ALA A 74 -8.097 10.540 -17.679 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.337 10.243 -20.034 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.953 12.693 -19.826 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.663 12.311 -20.138 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.135 12.749 -18.496 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.217 11.016 -18.722 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.960 10.966 -17.987 1.00 0.00 C ATOM 1209 C ARG A 75 -1.956 11.905 -18.644 1.00 0.00 C ATOM 1210 O ARG A 75 -2.276 12.563 -19.636 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.402 9.538 -17.943 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.907 8.635 -19.059 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.798 7.751 -19.605 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.295 6.450 -20.041 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.557 5.445 -19.211 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.376 5.596 -17.907 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.001 4.288 -19.686 1.00 0.00 N ATOM 0 H ARG A 75 -4.126 11.367 -19.675 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.141 11.283 -16.960 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.314 9.584 -17.992 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.659 9.089 -16.984 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.719 8.012 -18.685 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.318 9.245 -19.864 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.315 8.253 -20.443 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.038 7.609 -18.837 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.450 6.304 -21.038 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.035 6.484 -17.539 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.577 4.824 -17.271 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.142 4.169 -20.689 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.202 3.518 -19.048 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.749 11.982 -18.096 1.00 0.00 N ATOM 1232 CA VAL A 76 0.260 12.866 -18.660 1.00 0.00 C ATOM 1233 C VAL A 76 1.677 12.449 -18.285 1.00 0.00 C ATOM 1234 O VAL A 76 1.998 12.273 -17.109 1.00 0.00 O ATOM 1235 CB VAL A 76 0.032 14.321 -18.207 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.280 14.465 -16.712 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.916 15.270 -18.997 1.00 0.00 C ATOM 0 H VAL A 76 -0.450 11.453 -17.277 1.00 0.00 H new ATOM 0 HA VAL A 76 0.157 12.792 -19.743 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.008 14.583 -18.403 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.113 15.500 -16.414 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.404 13.815 -16.166 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.308 14.183 -16.485 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.741 16.293 -18.663 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.962 15.010 -18.838 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.680 15.189 -20.058 1.00 0.00 H new ATOM 1247 N ARG A 77 2.525 12.312 -19.301 1.00 0.00 N ATOM 1248 CA ARG A 77 3.921 11.943 -19.093 1.00 0.00 C ATOM 1249 C ARG A 77 4.801 13.186 -19.120 1.00 0.00 C ATOM 1250 O ARG A 77 4.883 13.872 -20.140 1.00 0.00 O ATOM 1251 CB ARG A 77 4.394 10.971 -20.176 1.00 0.00 C ATOM 1252 CG ARG A 77 3.589 9.689 -20.250 1.00 0.00 C ATOM 1253 CD ARG A 77 4.368 8.590 -20.953 1.00 0.00 C ATOM 1254 NE ARG A 77 4.957 7.644 -20.010 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.380 6.432 -20.353 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.287 6.027 -21.612 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.898 5.625 -19.438 1.00 0.00 N ATOM 0 H ARG A 77 2.268 12.451 -20.278 1.00 0.00 H new ATOM 0 HA ARG A 77 4.000 11.457 -18.120 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.350 11.472 -21.143 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.439 10.721 -19.994 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.325 9.364 -19.244 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.655 9.873 -20.781 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.706 8.056 -21.635 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.157 9.036 -21.559 1.00 0.00 H new ATOM 0 HE ARG A 77 5.049 7.929 -19.035 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.890 6.646 -22.319 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.612 5.096 -21.874 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.972 5.934 -18.469 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.222 4.695 -19.703 1.00 0.00 H new ATOM 1271 N VAL A 78 5.462 13.481 -18.006 1.00 0.00 N ATOM 1272 CA VAL A 78 6.330 14.647 -17.940 1.00 0.00 C ATOM 1273 C VAL A 78 7.787 14.261 -18.150 1.00 0.00 C ATOM 1274 O VAL A 78 8.400 13.613 -17.302 1.00 0.00 O ATOM 1275 CB VAL A 78 6.192 15.402 -16.601 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.583 14.513 -15.431 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.035 16.668 -16.617 1.00 0.00 C ATOM 0 H VAL A 78 5.414 12.935 -17.146 1.00 0.00 H new ATOM 0 HA VAL A 78 6.011 15.311 -18.743 1.00 0.00 H new ATOM 0 HB VAL A 78 5.146 15.682 -16.475 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.477 15.069 -14.500 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.934 13.637 -15.407 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.619 14.194 -15.547 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.927 17.189 -15.666 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.082 16.406 -16.770 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.701 17.317 -17.426 1.00 0.00 H new ATOM 1287 N ARG A 79 8.342 14.674 -19.283 1.00 0.00 N ATOM 1288 CA ARG A 79 9.730 14.384 -19.600 1.00 0.00 C ATOM 1289 C ARG A 79 10.617 15.522 -19.117 1.00 0.00 C ATOM 1290 O ARG A 79 10.120 16.538 -18.635 1.00 0.00 O ATOM 1291 CB ARG A 79 9.907 14.176 -21.106 1.00 0.00 C ATOM 1292 CG ARG A 79 9.670 15.432 -21.925 1.00 0.00 C ATOM 1293 CD ARG A 79 10.602 15.500 -23.124 1.00 0.00 C ATOM 1294 NE ARG A 79 9.962 15.016 -24.344 1.00 0.00 N ATOM 1295 CZ ARG A 79 10.635 14.610 -25.417 1.00 0.00 C ATOM 1296 NH1 ARG A 79 11.961 14.625 -25.415 1.00 0.00 N ATOM 1297 NH2 ARG A 79 9.983 14.189 -26.491 1.00 0.00 N ATOM 0 H ARG A 79 7.849 15.211 -19.997 1.00 0.00 H new ATOM 0 HA ARG A 79 10.021 13.464 -19.092 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.916 13.812 -21.298 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.219 13.399 -21.440 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.635 15.455 -22.266 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.819 16.310 -21.297 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.929 16.529 -23.270 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.494 14.907 -22.923 1.00 0.00 H new ATOM 0 HE ARG A 79 8.943 14.988 -24.375 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.466 14.948 -24.590 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.476 14.313 -26.239 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.963 14.176 -26.496 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.501 13.878 -27.313 1.00 0.00 H new ATOM 1311 N THR A 80 11.926 15.354 -19.242 1.00 0.00 N ATOM 1312 CA THR A 80 12.863 16.381 -18.808 1.00 0.00 C ATOM 1313 C THR A 80 13.838 16.729 -19.920 1.00 0.00 C ATOM 1314 O THR A 80 15.041 16.520 -19.787 1.00 0.00 O ATOM 1315 CB THR A 80 13.634 15.913 -17.576 1.00 0.00 C ATOM 1316 OG1 THR A 80 14.145 14.607 -17.770 1.00 0.00 O ATOM 1317 CG2 THR A 80 12.801 15.899 -16.314 1.00 0.00 C ATOM 0 H THR A 80 12.362 14.521 -19.638 1.00 0.00 H new ATOM 0 HA THR A 80 12.290 17.273 -18.554 1.00 0.00 H new ATOM 0 HB THR A 80 14.439 16.637 -17.449 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.465 14.514 -18.692 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.412 15.556 -15.479 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.436 16.905 -16.108 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.954 15.225 -16.444 1.00 0.00 H new ATOM 1325 N SER A 81 13.313 17.266 -21.013 1.00 0.00 N ATOM 1326 CA SER A 81 14.141 17.646 -22.150 1.00 0.00 C ATOM 1327 C SER A 81 15.043 18.821 -21.791 1.00 0.00 C ATOM 1328 O SER A 81 14.898 19.916 -22.334 1.00 0.00 O ATOM 1329 CB SER A 81 13.266 18.009 -23.351 1.00 0.00 C ATOM 1330 OG SER A 81 14.037 18.595 -24.386 1.00 0.00 O ATOM 0 H SER A 81 12.317 17.448 -21.137 1.00 0.00 H new ATOM 0 HA SER A 81 14.767 16.793 -22.413 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.769 17.115 -23.726 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.484 18.702 -23.039 1.00 0.00 H new ATOM 0 HG SER A 81 14.425 19.437 -24.068 1.00 0.00 H new ATOM 1336 N ARG A 82 15.972 18.587 -20.871 1.00 0.00 N ATOM 1337 CA ARG A 82 16.896 19.626 -20.435 1.00 0.00 C ATOM 1338 C ARG A 82 17.971 19.879 -21.486 1.00 0.00 C ATOM 1339 O ARG A 82 19.162 19.732 -21.214 1.00 0.00 O ATOM 1340 CB ARG A 82 17.548 19.233 -19.108 1.00 0.00 C ATOM 1341 CG ARG A 82 17.784 20.407 -18.174 1.00 0.00 C ATOM 1342 CD ARG A 82 19.260 20.588 -17.867 1.00 0.00 C ATOM 1343 NE ARG A 82 19.475 21.406 -16.677 1.00 0.00 N ATOM 1344 CZ ARG A 82 20.663 21.579 -16.108 1.00 0.00 C ATOM 1345 NH1 ARG A 82 21.736 20.993 -16.620 1.00 0.00 N ATOM 1346 NH2 ARG A 82 20.779 22.337 -15.026 1.00 0.00 N ATOM 0 H ARG A 82 16.105 17.686 -20.412 1.00 0.00 H new ATOM 0 HA ARG A 82 16.327 20.546 -20.296 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.916 18.501 -18.605 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.501 18.745 -19.312 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.391 21.318 -18.627 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.235 20.250 -17.245 1.00 0.00 H new ATOM 0 HD2 ARG A 82 19.723 19.612 -17.724 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.753 21.053 -18.720 1.00 0.00 H new ATOM 0 HE ARG A 82 18.669 21.870 -16.259 1.00 0.00 H new ATOM 0 HH11 ARG A 82 21.650 20.409 -17.452 1.00 0.00 H new ATOM 0 HH12 ARG A 82 22.648 21.126 -16.182 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.955 22.789 -14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 82 21.692 22.468 -14.591 1.00 0.00 H new ATOM 1360 N THR A 83 17.543 20.263 -22.685 1.00 0.00 N ATOM 1361 CA THR A 83 18.467 20.541 -23.779 1.00 0.00 C ATOM 1362 C THR A 83 19.163 19.266 -24.252 1.00 0.00 C ATOM 1363 O THR A 83 19.020 18.866 -25.407 1.00 0.00 O ATOM 1364 CB THR A 83 19.501 21.585 -23.352 1.00 0.00 C ATOM 1365 OG1 THR A 83 20.605 20.972 -22.708 1.00 0.00 O ATOM 1366 CG2 THR A 83 18.942 22.631 -22.408 1.00 0.00 C ATOM 0 H THR A 83 16.559 20.389 -22.924 1.00 0.00 H new ATOM 0 HA THR A 83 17.889 20.939 -24.613 1.00 0.00 H new ATOM 0 HB THR A 83 19.808 22.076 -24.275 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.349 20.709 -21.799 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.727 23.340 -22.145 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.123 23.160 -22.895 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.573 22.146 -21.504 1.00 0.00 H new ATOM 1374 N GLY A 84 19.917 18.630 -23.358 1.00 0.00 N ATOM 1375 CA GLY A 84 20.617 17.412 -23.719 1.00 0.00 C ATOM 1376 C GLY A 84 20.636 16.386 -22.601 1.00 0.00 C ATOM 1377 O GLY A 84 21.649 15.723 -22.379 1.00 0.00 O ATOM 0 H GLY A 84 20.054 18.936 -22.395 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.144 16.975 -24.598 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.642 17.657 -23.997 1.00 0.00 H new ATOM 1381 N TYR A 85 19.517 16.250 -21.896 1.00 0.00 N ATOM 1382 CA TYR A 85 19.421 15.292 -20.800 1.00 0.00 C ATOM 1383 C TYR A 85 19.496 13.858 -21.322 1.00 0.00 C ATOM 1384 O TYR A 85 19.522 13.628 -22.531 1.00 0.00 O ATOM 1385 CB TYR A 85 18.118 15.508 -20.013 1.00 0.00 C ATOM 1386 CG TYR A 85 16.904 14.820 -20.609 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.525 15.053 -21.926 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.142 13.940 -19.852 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.418 14.427 -22.469 1.00 0.00 C ATOM 1390 CE2 TYR A 85 15.035 13.310 -20.390 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.678 13.557 -21.698 1.00 0.00 C ATOM 1392 OH TYR A 85 13.576 12.933 -22.237 1.00 0.00 O ATOM 0 H TYR A 85 18.667 16.789 -22.063 1.00 0.00 H new ATOM 0 HA TYR A 85 20.265 15.455 -20.130 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.260 15.149 -18.994 1.00 0.00 H new ATOM 0 HB3 TYR A 85 17.919 16.578 -19.949 1.00 0.00 H new ATOM 0 HD1 TYR A 85 17.104 15.733 -22.534 1.00 0.00 H new ATOM 0 HD2 TYR A 85 16.418 13.744 -18.826 1.00 0.00 H new ATOM 0 HE1 TYR A 85 15.135 14.619 -23.493 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.453 12.628 -19.788 1.00 0.00 H new ATOM 0 HH TYR A 85 13.529 12.011 -21.909 1.00 0.00 H new ATOM 1402 N ASN A 86 19.520 12.897 -20.402 1.00 0.00 N ATOM 1403 CA ASN A 86 19.584 11.488 -20.781 1.00 0.00 C ATOM 1404 C ASN A 86 18.371 11.097 -21.620 1.00 0.00 C ATOM 1405 O ASN A 86 17.513 11.931 -21.913 1.00 0.00 O ATOM 1406 CB ASN A 86 19.682 10.578 -19.549 1.00 0.00 C ATOM 1407 CG ASN A 86 18.937 11.121 -18.351 1.00 0.00 C ATOM 1408 OD1 ASN A 86 19.332 10.898 -17.206 1.00 0.00 O ATOM 1409 ND2 ASN A 86 17.853 11.840 -18.605 1.00 0.00 N ATOM 0 H ASN A 86 19.496 13.066 -19.396 1.00 0.00 H new ATOM 0 HA ASN A 86 20.486 11.353 -21.378 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.287 9.593 -19.799 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.731 10.443 -19.287 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.310 12.233 -17.836 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.562 12.000 -19.569 1.00 0.00 H new ATOM 1416 N GLY A 87 18.303 9.826 -22.000 1.00 0.00 N ATOM 1417 CA GLY A 87 17.186 9.352 -22.798 1.00 0.00 C ATOM 1418 C GLY A 87 16.142 8.642 -21.960 1.00 0.00 C ATOM 1419 O GLY A 87 15.898 7.448 -22.140 1.00 0.00 O ATOM 0 H GLY A 87 18.999 9.117 -21.771 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.725 10.196 -23.311 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.554 8.674 -23.568 1.00 0.00 H new ATOM 1423 N ILE A 88 15.527 9.375 -21.036 1.00 0.00 N ATOM 1424 CA ILE A 88 14.507 8.806 -20.162 1.00 0.00 C ATOM 1425 C ILE A 88 13.128 9.378 -20.480 1.00 0.00 C ATOM 1426 O ILE A 88 12.922 9.968 -21.535 1.00 0.00 O ATOM 1427 CB ILE A 88 14.841 9.054 -18.666 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.521 10.500 -18.244 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.307 8.746 -18.392 1.00 0.00 C ATOM 1430 CD1 ILE A 88 14.197 10.640 -16.773 1.00 0.00 C ATOM 0 H ILE A 88 15.717 10.364 -20.874 1.00 0.00 H new ATOM 0 HA ILE A 88 14.494 7.731 -20.343 1.00 0.00 H new ATOM 0 HB ILE A 88 14.215 8.385 -18.075 1.00 0.00 H new ATOM 0 HG12 ILE A 88 15.373 11.137 -18.483 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.677 10.863 -18.830 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.526 8.925 -17.339 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.511 7.703 -18.633 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.935 9.390 -19.007 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.982 11.684 -16.546 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.327 10.029 -16.532 1.00 0.00 H new ATOM 0 HD13 ILE A 88 15.049 10.308 -16.180 1.00 0.00 H new ATOM 1442 N TRP A 89 12.201 9.223 -19.538 1.00 0.00 N ATOM 1443 CA TRP A 89 10.847 9.742 -19.693 1.00 0.00 C ATOM 1444 C TRP A 89 10.023 9.473 -18.435 1.00 0.00 C ATOM 1445 O TRP A 89 10.416 8.677 -17.583 1.00 0.00 O ATOM 1446 CB TRP A 89 10.162 9.116 -20.906 1.00 0.00 C ATOM 1447 CG TRP A 89 9.971 10.071 -22.050 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.801 10.237 -23.121 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.881 10.987 -22.242 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.303 11.199 -23.963 1.00 0.00 N ATOM 1451 CE2 TRP A 89 9.126 11.674 -23.448 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.724 11.297 -21.516 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.260 12.646 -23.942 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.867 12.263 -22.011 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.139 12.926 -23.213 1.00 0.00 C ATOM 0 H TRP A 89 12.365 8.739 -18.655 1.00 0.00 H new ATOM 0 HA TRP A 89 10.915 10.819 -19.848 1.00 0.00 H new ATOM 0 HB2 TRP A 89 10.753 8.266 -21.248 1.00 0.00 H new ATOM 0 HB3 TRP A 89 9.190 8.727 -20.603 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.718 9.690 -23.282 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.738 11.510 -24.831 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.505 10.791 -20.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.467 13.160 -24.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.972 12.510 -21.460 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.448 13.675 -23.572 1.00 0.00 H new ATOM 1466 N SER A 90 8.883 10.146 -18.325 1.00 0.00 N ATOM 1467 CA SER A 90 8.002 9.988 -17.173 1.00 0.00 C ATOM 1468 C SER A 90 7.442 8.571 -17.087 1.00 0.00 C ATOM 1469 O SER A 90 7.721 7.725 -17.937 1.00 0.00 O ATOM 1470 CB SER A 90 6.853 10.992 -17.250 1.00 0.00 C ATOM 1471 OG SER A 90 6.488 11.454 -15.961 1.00 0.00 O ATOM 0 H SER A 90 8.546 10.809 -19.023 1.00 0.00 H new ATOM 0 HA SER A 90 8.592 10.175 -16.276 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.147 11.837 -17.872 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.992 10.527 -17.730 1.00 0.00 H new ATOM 0 HG SER A 90 5.518 11.377 -15.848 1.00 0.00 H new ATOM 1477 N GLU A 91 6.644 8.326 -16.050 1.00 0.00 N ATOM 1478 CA GLU A 91 6.032 7.017 -15.838 1.00 0.00 C ATOM 1479 C GLU A 91 4.511 7.123 -15.863 1.00 0.00 C ATOM 1480 O GLU A 91 3.811 6.324 -15.241 1.00 0.00 O ATOM 1481 CB GLU A 91 6.490 6.430 -14.502 1.00 0.00 C ATOM 1482 CG GLU A 91 7.669 5.479 -14.629 1.00 0.00 C ATOM 1483 CD GLU A 91 7.271 4.029 -14.443 1.00 0.00 C ATOM 1484 OE1 GLU A 91 6.821 3.674 -13.333 1.00 0.00 O ATOM 1485 OE2 GLU A 91 7.408 3.248 -15.407 1.00 0.00 O ATOM 0 H GLU A 91 6.406 9.020 -15.341 1.00 0.00 H new ATOM 0 HA GLU A 91 6.348 6.357 -16.646 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.761 7.245 -13.830 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.655 5.902 -14.041 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.127 5.603 -15.610 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.425 5.742 -13.889 1.00 0.00 H new ATOM 1492 N TRP A 92 4.011 8.113 -16.593 1.00 0.00 N ATOM 1493 CA TRP A 92 2.573 8.333 -16.714 1.00 0.00 C ATOM 1494 C TRP A 92 1.956 8.728 -15.377 1.00 0.00 C ATOM 1495 O TRP A 92 2.085 8.013 -14.383 1.00 0.00 O ATOM 1496 CB TRP A 92 1.889 7.075 -17.252 1.00 0.00 C ATOM 1497 CG TRP A 92 1.816 7.035 -18.747 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.248 6.031 -19.561 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.281 8.049 -19.604 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.012 6.355 -20.876 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.419 7.591 -20.927 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.697 9.299 -19.380 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 0.994 8.341 -22.021 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.278 10.043 -20.467 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.427 9.561 -21.773 1.00 0.00 C ATOM 0 H TRP A 92 4.582 8.779 -17.113 1.00 0.00 H new ATOM 0 HA TRP A 92 2.420 9.155 -17.414 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.428 6.197 -16.898 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.880 7.015 -16.844 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.709 5.115 -19.222 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.240 5.772 -21.681 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.575 9.677 -18.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.108 7.972 -23.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.172 11.012 -20.306 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.087 10.165 -22.602 1.00 0.00 H new ATOM 1516 N SER A 93 1.282 9.876 -15.362 1.00 0.00 N ATOM 1517 CA SER A 93 0.639 10.372 -14.150 1.00 0.00 C ATOM 1518 C SER A 93 -0.489 9.445 -13.708 1.00 0.00 C ATOM 1519 O SER A 93 -0.636 8.337 -14.222 1.00 0.00 O ATOM 1520 CB SER A 93 0.092 11.782 -14.381 1.00 0.00 C ATOM 1521 OG SER A 93 -0.998 11.764 -15.285 1.00 0.00 O ATOM 0 H SER A 93 1.168 10.479 -16.176 1.00 0.00 H new ATOM 0 HA SER A 93 1.389 10.402 -13.359 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.226 12.212 -13.431 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.882 12.423 -14.772 1.00 0.00 H new ATOM 0 HG SER A 93 -1.687 12.390 -14.979 1.00 0.00 H new ATOM 1527 N GLU A 94 -1.281 9.909 -12.747 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.398 9.129 -12.228 1.00 0.00 C ATOM 1529 C GLU A 94 -3.554 9.101 -13.221 1.00 0.00 C ATOM 1530 O GLU A 94 -3.857 10.103 -13.868 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.871 9.705 -10.891 1.00 0.00 C ATOM 1532 CG GLU A 94 -2.850 8.700 -9.752 1.00 0.00 C ATOM 1533 CD GLU A 94 -1.784 9.011 -8.720 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -0.924 9.874 -8.995 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -1.808 8.390 -7.636 1.00 0.00 O ATOM 0 H GLU A 94 -1.169 10.824 -12.311 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.053 8.106 -12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.239 10.553 -10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.885 10.087 -11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.826 8.685 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.679 7.702 -10.156 1.00 0.00 H new ATOM 1542 N ALA A 95 -4.194 7.944 -13.335 1.00 0.00 N ATOM 1543 CA ALA A 95 -5.319 7.778 -14.248 1.00 0.00 C ATOM 1544 C ALA A 95 -6.582 8.414 -13.679 1.00 0.00 C ATOM 1545 O ALA A 95 -7.270 7.819 -12.848 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.550 6.303 -14.532 1.00 0.00 C ATOM 0 H ALA A 95 -3.953 7.106 -12.806 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.078 8.284 -15.183 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.392 6.191 -15.215 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.656 5.875 -14.986 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.768 5.783 -13.599 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.883 9.627 -14.132 1.00 0.00 N ATOM 1553 CA ARG A 96 -8.064 10.344 -13.666 1.00 0.00 C ATOM 1554 C ARG A 96 -9.233 10.156 -14.627 1.00 0.00 C ATOM 1555 O ARG A 96 -9.056 10.162 -15.845 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.751 11.835 -13.512 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.760 12.136 -12.401 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.416 12.064 -11.033 1.00 0.00 C ATOM 1559 NE ARG A 96 -7.816 13.382 -10.548 1.00 0.00 N ATOM 1560 CZ ARG A 96 -8.570 13.574 -9.470 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -8.998 12.536 -8.764 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -8.894 14.803 -9.095 1.00 0.00 N ATOM 0 H ARG A 96 -6.326 10.133 -14.820 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.347 9.934 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.354 12.214 -14.454 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.678 12.374 -13.317 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.934 11.426 -12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.336 13.129 -12.550 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.291 11.416 -11.084 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.724 11.611 -10.323 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.499 14.202 -11.066 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.749 11.589 -9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.576 12.685 -7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.565 15.604 -9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.473 14.948 -8.268 1.00 0.00 H new ATOM 1576 N SER A 97 -10.428 9.994 -14.067 1.00 0.00 N ATOM 1577 CA SER A 97 -11.632 9.809 -14.869 1.00 0.00 C ATOM 1578 C SER A 97 -12.623 10.942 -14.622 1.00 0.00 C ATOM 1579 O SER A 97 -12.790 11.393 -13.489 1.00 0.00 O ATOM 1580 CB SER A 97 -12.287 8.464 -14.541 1.00 0.00 C ATOM 1581 OG SER A 97 -13.188 8.588 -13.454 1.00 0.00 O ATOM 0 H SER A 97 -10.588 9.987 -13.060 1.00 0.00 H new ATOM 0 HA SER A 97 -11.346 9.819 -15.921 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.818 8.091 -15.417 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.518 7.731 -14.298 1.00 0.00 H new ATOM 0 HG SER A 97 -13.594 7.717 -13.265 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.277 11.402 -15.684 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.245 12.486 -15.565 1.00 0.00 C ATOM 1589 C TRP A 98 -15.406 12.303 -16.543 1.00 0.00 C ATOM 1590 O TRP A 98 -15.355 11.457 -17.436 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.555 13.839 -15.793 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.370 14.203 -17.240 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.284 14.809 -18.052 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.204 13.982 -18.044 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.757 14.980 -19.308 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.482 14.480 -19.326 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.952 13.414 -17.806 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.556 14.425 -20.360 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -10.033 13.360 -18.835 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.341 13.864 -20.100 1.00 0.00 C ATOM 0 H TRP A 98 -13.155 11.043 -16.631 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.656 12.465 -14.556 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.141 14.619 -15.306 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.580 13.823 -15.307 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.276 15.110 -17.751 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -14.237 15.409 -20.099 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.705 13.022 -16.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.791 14.815 -21.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -9.062 12.922 -18.659 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.603 13.808 -20.887 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.447 13.111 -16.369 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.620 13.052 -17.234 1.00 0.00 C ATOM 1613 C ASP A 99 -17.681 14.277 -18.140 1.00 0.00 C ATOM 1614 O ASP A 99 -17.705 15.414 -17.665 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.908 12.946 -16.406 1.00 0.00 C ATOM 1616 CG ASP A 99 -18.789 13.588 -15.035 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -18.232 14.702 -14.947 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -19.254 12.975 -14.051 1.00 0.00 O ATOM 0 H ASP A 99 -16.502 13.816 -15.634 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.534 12.160 -17.854 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.724 13.419 -16.952 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -19.171 11.895 -16.287 1.00 0.00 H new ATOM 1623 N THR A 100 -17.699 14.039 -19.447 1.00 0.00 N ATOM 1624 CA THR A 100 -17.749 15.121 -20.424 1.00 0.00 C ATOM 1625 C THR A 100 -18.985 15.993 -20.226 1.00 0.00 C ATOM 1626 O THR A 100 -19.018 17.142 -20.666 1.00 0.00 O ATOM 1627 CB THR A 100 -17.735 14.553 -21.841 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.329 13.267 -21.870 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.342 14.432 -22.418 1.00 0.00 C ATOM 0 H THR A 100 -17.680 13.104 -19.855 1.00 0.00 H new ATOM 0 HA THR A 100 -16.867 15.745 -20.276 1.00 0.00 H new ATOM 0 HB THR A 100 -18.301 15.261 -22.446 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.224 12.878 -22.764 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.400 14.022 -23.426 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.876 15.417 -22.453 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.745 13.770 -21.791 1.00 0.00 H new ATOM 1637 N GLU A 101 -19.996 15.446 -19.562 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.226 16.184 -19.310 1.00 0.00 C ATOM 1639 C GLU A 101 -21.970 16.469 -20.611 1.00 0.00 C ATOM 1640 O GLU A 101 -21.620 17.390 -21.349 1.00 0.00 O ATOM 1641 CB GLU A 101 -20.914 17.496 -18.590 1.00 0.00 C ATOM 1642 CG GLU A 101 -22.141 18.166 -18.000 1.00 0.00 C ATOM 1643 CD GLU A 101 -22.220 18.014 -16.494 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -21.416 17.241 -15.932 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -23.087 18.667 -15.876 1.00 0.00 O ATOM 0 H GLU A 101 -19.988 14.496 -19.189 1.00 0.00 H new ATOM 0 HA GLU A 101 -21.866 15.570 -18.677 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -20.196 17.303 -17.793 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -20.436 18.181 -19.290 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -22.130 19.226 -18.254 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -23.036 17.739 -18.452 1.00 0.00 H new ATOM 1652 N SER A 102 -22.999 15.674 -20.883 1.00 0.00 N ATOM 1653 CA SER A 102 -23.795 15.841 -22.094 1.00 0.00 C ATOM 1654 C SER A 102 -24.656 17.098 -22.011 1.00 0.00 C ATOM 1655 O SER A 102 -24.962 17.530 -20.881 1.00 0.00 O ATOM 1656 CB SER A 102 -24.681 14.614 -22.318 1.00 0.00 C ATOM 1657 OG SER A 102 -25.134 14.080 -21.086 1.00 0.00 O ATOM 1658 OXT SER A 102 -25.015 17.639 -23.079 1.00 0.00 O ATOM 0 H SER A 102 -23.302 14.908 -20.282 1.00 0.00 H new ATOM 0 HA SER A 102 -23.112 15.947 -22.937 1.00 0.00 H new ATOM 0 HB2 SER A 102 -25.536 14.887 -22.936 1.00 0.00 H new ATOM 0 HB3 SER A 102 -24.123 13.854 -22.864 1.00 0.00 H new ATOM 0 HG SER A 102 -25.822 13.403 -21.256 1.00 0.00 H new TER 1664 SER A 102