USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 705 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 37 LYS NZ :NH3+ 164:sc=-0.00508 (180deg=-0.138) USER MOD Set 1.2: A 40 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 3 ASN : amide:sc= -0.0516 K(o=-0.84,f=-1.4) USER MOD Set 2.2: A 45 TYR OH : rot 180:sc= -0.784 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.398) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot -12:sc= 0.364 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 54:sc= -0.934 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.605! F(o=-1.1,f=-0.6!) USER MOD Single : A 57 THR OG1 : rot 92:sc= 0.538 USER MOD Single : A 59 SER OG : rot -150:sc= 0.135 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.0658 F(o=-0.64,f=-0.066) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -159:sc= -0.523 (180deg=-2.01) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -70:sc= 1.21 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.143 USER MOD Single : A 86 SER OG : rot 180:sc= -0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 17.562 -5.366 -11.896 1.00 0.00 N ATOM 2 CA GLY A -5 16.706 -4.355 -11.302 1.00 0.00 C ATOM 3 C GLY A -5 16.899 -4.240 -9.803 1.00 0.00 C ATOM 4 O GLY A -5 17.947 -3.797 -9.336 1.00 0.00 O ATOM 0 H1 GLY A -5 17.392 -5.406 -12.921 1.00 0.00 H new ATOM 0 H2 GLY A -5 18.558 -5.125 -11.719 1.00 0.00 H new ATOM 0 H3 GLY A -5 17.350 -6.292 -11.474 1.00 0.00 H new ATOM 0 HA2 GLY A -5 16.911 -3.391 -11.767 1.00 0.00 H new ATOM 0 HA3 GLY A -5 15.664 -4.595 -11.514 1.00 0.00 H new ATOM 8 N SER A -4 15.881 -4.640 -9.046 1.00 0.00 N ATOM 9 CA SER A -4 15.940 -4.575 -7.590 1.00 0.00 C ATOM 10 C SER A -4 16.656 -3.308 -7.131 1.00 0.00 C ATOM 11 O SER A -4 17.458 -3.339 -6.199 1.00 0.00 O ATOM 12 CB SER A -4 16.654 -5.808 -7.031 1.00 0.00 C ATOM 13 OG SER A -4 18.046 -5.749 -7.284 1.00 0.00 O ATOM 0 H SER A -4 15.007 -5.012 -9.417 1.00 0.00 H new ATOM 0 HA SER A -4 14.918 -4.552 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A -4 16.479 -5.878 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A -4 16.237 -6.709 -7.481 1.00 0.00 H new ATOM 0 HG SER A -4 18.231 -5.034 -7.927 1.00 0.00 H new ATOM 19 N SER A -3 16.359 -2.194 -7.795 1.00 0.00 N ATOM 20 CA SER A -3 16.976 -0.918 -7.459 1.00 0.00 C ATOM 21 C SER A -3 15.996 -0.022 -6.706 1.00 0.00 C ATOM 22 O SER A -3 14.792 -0.054 -6.954 1.00 0.00 O ATOM 23 CB SER A -3 17.458 -0.211 -8.728 1.00 0.00 C ATOM 24 OG SER A -3 18.391 0.811 -8.420 1.00 0.00 O ATOM 0 H SER A -3 15.695 -2.151 -8.568 1.00 0.00 H new ATOM 0 HA SER A -3 17.832 -1.115 -6.813 1.00 0.00 H new ATOM 0 HB2 SER A -3 17.917 -0.936 -9.400 1.00 0.00 H new ATOM 0 HB3 SER A -3 16.606 0.217 -9.255 1.00 0.00 H new ATOM 0 HG SER A -3 18.685 1.246 -9.248 1.00 0.00 H new ATOM 30 N GLY A -2 16.524 0.777 -5.784 1.00 0.00 N ATOM 31 CA GLY A -2 15.684 1.670 -5.007 1.00 0.00 C ATOM 32 C GLY A -2 15.280 2.908 -5.784 1.00 0.00 C ATOM 33 O GLY A -2 15.774 4.003 -5.519 1.00 0.00 O ATOM 0 H GLY A -2 17.518 0.822 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A -2 14.789 1.136 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A -2 16.215 1.969 -4.103 1.00 0.00 H new ATOM 37 N SER A -1 14.381 2.733 -6.747 1.00 0.00 N ATOM 38 CA SER A -1 13.916 3.844 -7.569 1.00 0.00 C ATOM 39 C SER A -1 13.774 5.114 -6.736 1.00 0.00 C ATOM 40 O SER A -1 13.094 5.124 -5.711 1.00 0.00 O ATOM 41 CB SER A -1 12.576 3.496 -8.222 1.00 0.00 C ATOM 42 OG SER A -1 12.769 2.873 -9.480 1.00 0.00 O ATOM 0 H SER A -1 13.960 1.833 -6.977 1.00 0.00 H new ATOM 0 HA SER A -1 14.657 4.023 -8.348 1.00 0.00 H new ATOM 0 HB2 SER A -1 12.010 2.833 -7.567 1.00 0.00 H new ATOM 0 HB3 SER A -1 11.983 4.402 -8.348 1.00 0.00 H new ATOM 0 HG SER A -1 11.899 2.659 -9.876 1.00 0.00 H new ATOM 48 N SER A 0 14.422 6.184 -7.185 1.00 0.00 N ATOM 49 CA SER A 0 14.372 7.460 -6.480 1.00 0.00 C ATOM 50 C SER A 0 12.994 7.688 -5.867 1.00 0.00 C ATOM 51 O SER A 0 11.974 7.338 -6.458 1.00 0.00 O ATOM 52 CB SER A 0 14.716 8.607 -7.432 1.00 0.00 C ATOM 53 OG SER A 0 16.104 8.637 -7.715 1.00 0.00 O ATOM 0 H SER A 0 14.988 6.193 -8.034 1.00 0.00 H new ATOM 0 HA SER A 0 15.108 7.432 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 0 14.155 8.494 -8.360 1.00 0.00 H new ATOM 0 HB3 SER A 0 14.412 9.555 -6.989 1.00 0.00 H new ATOM 0 HG SER A 0 16.297 9.378 -8.327 1.00 0.00 H new ATOM 59 N GLY A 1 12.973 8.278 -4.676 1.00 0.00 N ATOM 60 CA GLY A 1 11.717 8.544 -4.000 1.00 0.00 C ATOM 61 C GLY A 1 11.497 7.636 -2.806 1.00 0.00 C ATOM 62 O GLY A 1 12.202 6.641 -2.637 1.00 0.00 O ATOM 0 H GLY A 1 13.805 8.577 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.698 9.583 -3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.895 8.418 -4.705 1.00 0.00 H new ATOM 66 N MET A 2 10.518 7.979 -1.977 1.00 0.00 N ATOM 67 CA MET A 2 10.208 7.188 -0.792 1.00 0.00 C ATOM 68 C MET A 2 9.677 5.811 -1.180 1.00 0.00 C ATOM 69 O MET A 2 9.403 5.550 -2.351 1.00 0.00 O ATOM 70 CB MET A 2 9.182 7.915 0.081 1.00 0.00 C ATOM 71 CG MET A 2 9.767 9.079 0.865 1.00 0.00 C ATOM 72 SD MET A 2 9.901 10.583 -0.121 1.00 0.00 S ATOM 73 CE MET A 2 9.408 11.818 1.077 1.00 0.00 C ATOM 0 H MET A 2 9.925 8.799 -2.103 1.00 0.00 H new ATOM 0 HA MET A 2 11.129 7.056 -0.224 1.00 0.00 H new ATOM 0 HB2 MET A 2 8.374 8.283 -0.552 1.00 0.00 H new ATOM 0 HB3 MET A 2 8.741 7.203 0.779 1.00 0.00 H new ATOM 0 HG2 MET A 2 9.143 9.275 1.737 1.00 0.00 H new ATOM 0 HG3 MET A 2 10.754 8.803 1.235 1.00 0.00 H new ATOM 0 HE1 MET A 2 9.440 12.805 0.616 1.00 0.00 H new ATOM 0 HE2 MET A 2 8.394 11.610 1.418 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.089 11.792 1.927 1.00 0.00 H new ATOM 83 N ASN A 3 9.535 4.935 -0.191 1.00 0.00 N ATOM 84 CA ASN A 3 9.038 3.586 -0.431 1.00 0.00 C ATOM 85 C ASN A 3 7.666 3.389 0.208 1.00 0.00 C ATOM 86 O ASN A 3 7.531 3.409 1.431 1.00 0.00 O ATOM 87 CB ASN A 3 10.022 2.552 0.120 1.00 0.00 C ATOM 88 CG ASN A 3 11.438 2.782 -0.373 1.00 0.00 C ATOM 89 OD1 ASN A 3 12.094 3.747 0.020 1.00 0.00 O ATOM 90 ND2 ASN A 3 11.916 1.894 -1.236 1.00 0.00 N ATOM 0 H ASN A 3 9.757 5.135 0.784 1.00 0.00 H new ATOM 0 HA ASN A 3 8.941 3.448 -1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.009 2.587 1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.696 1.553 -0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.863 1.996 -1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.336 1.109 -1.534 1.00 0.00 H new ATOM 97 N LYS A 4 6.651 3.199 -0.629 1.00 0.00 N ATOM 98 CA LYS A 4 5.290 2.996 -0.148 1.00 0.00 C ATOM 99 C LYS A 4 4.604 1.870 -0.914 1.00 0.00 C ATOM 100 O LYS A 4 5.094 1.423 -1.952 1.00 0.00 O ATOM 101 CB LYS A 4 4.482 4.288 -0.287 1.00 0.00 C ATOM 102 CG LYS A 4 4.919 5.386 0.668 1.00 0.00 C ATOM 103 CD LYS A 4 4.001 6.595 0.585 1.00 0.00 C ATOM 104 CE LYS A 4 4.578 7.784 1.337 1.00 0.00 C ATOM 105 NZ LYS A 4 4.143 9.079 0.745 1.00 0.00 N ATOM 0 H LYS A 4 6.746 3.181 -1.644 1.00 0.00 H new ATOM 0 HA LYS A 4 5.340 2.717 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.569 4.653 -1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.428 4.068 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.925 5.002 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.940 5.687 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.845 6.864 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.025 6.341 0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.267 7.739 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.666 7.727 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.097 9.803 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.824 9.374 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.203 8.965 0.314 1.00 0.00 H new ATOM 119 N LEU A 5 3.468 1.415 -0.395 1.00 0.00 N ATOM 120 CA LEU A 5 2.714 0.340 -1.031 1.00 0.00 C ATOM 121 C LEU A 5 1.376 0.852 -1.556 1.00 0.00 C ATOM 122 O LEU A 5 0.752 1.722 -0.948 1.00 0.00 O ATOM 123 CB LEU A 5 2.485 -0.803 -0.043 1.00 0.00 C ATOM 124 CG LEU A 5 3.692 -1.211 0.803 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.244 -1.981 2.036 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.665 -2.041 -0.022 1.00 0.00 C ATOM 0 H LEU A 5 3.050 1.773 0.463 1.00 0.00 H new ATOM 0 HA LEU A 5 3.297 -0.031 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.675 -0.519 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.146 -1.676 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 5 4.204 -0.306 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.116 -2.263 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.587 -1.354 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.708 -2.879 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.518 -2.323 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.164 -2.940 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.012 -1.455 -0.874 1.00 0.00 H new ATOM 138 N TYR A 6 0.939 0.303 -2.683 1.00 0.00 N ATOM 139 CA TYR A 6 -0.325 0.703 -3.290 1.00 0.00 C ATOM 140 C TYR A 6 -1.454 -0.227 -2.857 1.00 0.00 C ATOM 141 O TYR A 6 -1.334 -1.450 -2.944 1.00 0.00 O ATOM 142 CB TYR A 6 -0.207 0.704 -4.815 1.00 0.00 C ATOM 143 CG TYR A 6 -1.538 0.629 -5.526 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.256 -0.560 -5.574 1.00 0.00 C ATOM 145 CD2 TYR A 6 -2.080 1.746 -6.149 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.473 -0.634 -6.224 1.00 0.00 C ATOM 147 CE2 TYR A 6 -3.297 1.682 -6.799 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.989 0.490 -6.834 1.00 0.00 C ATOM 149 OH TYR A 6 -5.201 0.422 -7.482 1.00 0.00 O ATOM 0 H TYR A 6 1.442 -0.421 -3.196 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.558 1.712 -2.951 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.313 1.609 -5.130 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.408 -0.141 -5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.856 -1.441 -5.095 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.540 2.681 -6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.017 -1.567 -6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.704 2.561 -7.277 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.421 1.300 -7.857 1.00 0.00 H new ATOM 159 N ILE A 7 -2.551 0.361 -2.392 1.00 0.00 N ATOM 160 CA ILE A 7 -3.702 -0.413 -1.947 1.00 0.00 C ATOM 161 C ILE A 7 -4.879 -0.247 -2.903 1.00 0.00 C ATOM 162 O ILE A 7 -5.368 0.862 -3.114 1.00 0.00 O ATOM 163 CB ILE A 7 -4.145 -0.002 -0.530 1.00 0.00 C ATOM 164 CG1 ILE A 7 -2.934 0.076 0.403 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.174 -0.984 0.009 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.294 0.421 1.831 1.00 0.00 C ATOM 0 H ILE A 7 -2.666 1.371 -2.314 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.392 -1.458 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.606 0.985 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.412 -0.881 0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.239 0.824 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.477 -0.680 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.045 -0.994 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.738 -1.982 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.388 0.459 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.789 1.392 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.965 -0.339 2.231 1.00 0.00 H new ATOM 178 N GLY A 8 -5.330 -1.358 -3.477 1.00 0.00 N ATOM 179 CA GLY A 8 -6.448 -1.314 -4.402 1.00 0.00 C ATOM 180 C GLY A 8 -7.672 -2.030 -3.868 1.00 0.00 C ATOM 181 O GLY A 8 -7.593 -2.750 -2.873 1.00 0.00 O ATOM 0 H GLY A 8 -4.941 -2.288 -3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.702 -0.275 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.151 -1.766 -5.348 1.00 0.00 H new ATOM 185 N ASN A 9 -8.808 -1.829 -4.527 1.00 0.00 N ATOM 186 CA ASN A 9 -10.055 -2.458 -4.111 1.00 0.00 C ATOM 187 C ASN A 9 -10.548 -1.871 -2.791 1.00 0.00 C ATOM 188 O ASN A 9 -11.115 -2.577 -1.957 1.00 0.00 O ATOM 189 CB ASN A 9 -9.865 -3.970 -3.969 1.00 0.00 C ATOM 190 CG ASN A 9 -11.143 -4.741 -4.240 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.408 -5.147 -5.373 1.00 0.00 O ATOM 192 ND2 ASN A 9 -11.942 -4.948 -3.201 1.00 0.00 N ATOM 0 H ASN A 9 -8.890 -1.235 -5.352 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.804 -2.262 -4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.090 -4.303 -4.659 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.514 -4.196 -2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.815 -5.461 -3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.683 -4.594 -2.280 1.00 0.00 H new ATOM 199 N LEU A 10 -10.327 -0.574 -2.609 1.00 0.00 N ATOM 200 CA LEU A 10 -10.748 0.111 -1.392 1.00 0.00 C ATOM 201 C LEU A 10 -12.097 0.795 -1.591 1.00 0.00 C ATOM 202 O LEU A 10 -12.247 1.650 -2.464 1.00 0.00 O ATOM 203 CB LEU A 10 -9.698 1.140 -0.972 1.00 0.00 C ATOM 204 CG LEU A 10 -8.394 0.576 -0.407 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.436 1.701 -0.048 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.672 -0.298 0.807 1.00 0.00 C ATOM 0 H LEU A 10 -9.858 0.025 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.852 -0.634 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.458 1.759 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.141 1.797 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.926 -0.041 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.514 1.280 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.211 2.286 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.896 2.345 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.732 -0.691 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.164 0.296 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.320 -1.126 0.519 1.00 0.00 H new ATOM 218 N SER A 11 -13.074 0.415 -0.774 1.00 0.00 N ATOM 219 CA SER A 11 -14.411 0.992 -0.861 1.00 0.00 C ATOM 220 C SER A 11 -14.346 2.517 -0.869 1.00 0.00 C ATOM 221 O SER A 11 -13.514 3.131 -0.201 1.00 0.00 O ATOM 222 CB SER A 11 -15.274 0.513 0.308 1.00 0.00 C ATOM 223 OG SER A 11 -16.640 0.450 -0.059 1.00 0.00 O ATOM 0 H SER A 11 -12.965 -0.290 -0.045 1.00 0.00 H new ATOM 0 HA SER A 11 -14.862 0.660 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.936 -0.471 0.634 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.152 1.189 1.155 1.00 0.00 H new ATOM 0 HG SER A 11 -16.737 -0.098 -0.866 1.00 0.00 H new ATOM 229 N PRO A 12 -15.244 3.142 -1.644 1.00 0.00 N ATOM 230 CA PRO A 12 -15.310 4.602 -1.758 1.00 0.00 C ATOM 231 C PRO A 12 -15.810 5.262 -0.478 1.00 0.00 C ATOM 232 O PRO A 12 -15.900 6.486 -0.394 1.00 0.00 O ATOM 233 CB PRO A 12 -16.308 4.824 -2.898 1.00 0.00 C ATOM 234 CG PRO A 12 -17.160 3.602 -2.899 1.00 0.00 C ATOM 235 CD PRO A 12 -16.264 2.472 -2.468 1.00 0.00 C ATOM 0 HA PRO A 12 -14.329 5.041 -1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.904 5.722 -2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.797 4.951 -3.852 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.003 3.713 -2.217 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.574 3.416 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.811 1.720 -1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.819 1.963 -3.323 1.00 0.00 H new ATOM 243 N ALA A 13 -16.132 4.442 0.518 1.00 0.00 N ATOM 244 CA ALA A 13 -16.620 4.947 1.795 1.00 0.00 C ATOM 245 C ALA A 13 -15.543 4.852 2.871 1.00 0.00 C ATOM 246 O ALA A 13 -15.659 5.460 3.935 1.00 0.00 O ATOM 247 CB ALA A 13 -17.865 4.184 2.224 1.00 0.00 C ATOM 0 H ALA A 13 -16.063 3.426 0.464 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.877 5.998 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.218 4.572 3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.644 4.307 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.625 3.126 2.328 1.00 0.00 H new ATOM 253 N VAL A 14 -14.495 4.085 2.586 1.00 0.00 N ATOM 254 CA VAL A 14 -13.397 3.910 3.529 1.00 0.00 C ATOM 255 C VAL A 14 -12.789 5.253 3.919 1.00 0.00 C ATOM 256 O VAL A 14 -12.811 6.207 3.140 1.00 0.00 O ATOM 257 CB VAL A 14 -12.293 3.009 2.945 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.150 2.855 3.936 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.863 1.653 2.558 1.00 0.00 C ATOM 0 H VAL A 14 -14.384 3.575 1.710 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.814 3.432 4.415 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.899 3.482 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.379 2.215 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.726 3.834 4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.524 2.405 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.070 1.029 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.285 1.170 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.644 1.787 1.809 1.00 0.00 H new ATOM 269 N THR A 15 -12.244 5.322 5.129 1.00 0.00 N ATOM 270 CA THR A 15 -11.630 6.547 5.624 1.00 0.00 C ATOM 271 C THR A 15 -10.229 6.281 6.163 1.00 0.00 C ATOM 272 O THR A 15 -9.913 5.165 6.574 1.00 0.00 O ATOM 273 CB THR A 15 -12.480 7.194 6.733 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.815 6.218 7.726 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.753 7.795 6.158 1.00 0.00 C ATOM 0 H THR A 15 -12.215 4.542 5.785 1.00 0.00 H new ATOM 0 HA THR A 15 -11.567 7.232 4.779 1.00 0.00 H new ATOM 0 HB THR A 15 -11.894 7.991 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.354 6.638 8.429 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.337 8.246 6.960 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.496 8.558 5.423 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.340 7.012 5.678 1.00 0.00 H new ATOM 283 N ALA A 16 -9.393 7.314 6.159 1.00 0.00 N ATOM 284 CA ALA A 16 -8.026 7.192 6.650 1.00 0.00 C ATOM 285 C ALA A 16 -7.999 6.607 8.057 1.00 0.00 C ATOM 286 O ALA A 16 -7.103 5.834 8.402 1.00 0.00 O ATOM 287 CB ALA A 16 -7.334 8.547 6.627 1.00 0.00 C ATOM 0 H ALA A 16 -9.638 8.245 5.821 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.489 6.510 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.314 8.441 6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.312 8.927 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.879 9.245 7.263 1.00 0.00 H new ATOM 293 N ASP A 17 -8.984 6.979 8.867 1.00 0.00 N ATOM 294 CA ASP A 17 -9.073 6.489 10.238 1.00 0.00 C ATOM 295 C ASP A 17 -9.286 4.979 10.264 1.00 0.00 C ATOM 296 O ASP A 17 -8.697 4.272 11.081 1.00 0.00 O ATOM 297 CB ASP A 17 -10.213 7.190 10.980 1.00 0.00 C ATOM 298 CG ASP A 17 -10.258 8.679 10.697 1.00 0.00 C ATOM 299 OD1 ASP A 17 -9.185 9.269 10.451 1.00 0.00 O ATOM 300 OD2 ASP A 17 -11.367 9.254 10.723 1.00 0.00 O ATOM 0 H ASP A 17 -9.732 7.618 8.598 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.131 6.713 10.739 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.162 6.739 10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.098 7.030 12.052 1.00 0.00 H new ATOM 305 N ASP A 18 -10.133 4.491 9.363 1.00 0.00 N ATOM 306 CA ASP A 18 -10.423 3.064 9.282 1.00 0.00 C ATOM 307 C ASP A 18 -9.192 2.283 8.836 1.00 0.00 C ATOM 308 O ASP A 18 -8.906 1.203 9.357 1.00 0.00 O ATOM 309 CB ASP A 18 -11.580 2.813 8.313 1.00 0.00 C ATOM 310 CG ASP A 18 -12.293 1.504 8.590 1.00 0.00 C ATOM 311 OD1 ASP A 18 -11.664 0.598 9.176 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.480 1.386 8.222 1.00 0.00 O ATOM 0 H ASP A 18 -10.630 5.062 8.680 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.708 2.719 10.276 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.294 3.634 8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.200 2.807 7.291 1.00 0.00 H new ATOM 317 N LEU A 19 -8.465 2.834 7.871 1.00 0.00 N ATOM 318 CA LEU A 19 -7.263 2.189 7.354 1.00 0.00 C ATOM 319 C LEU A 19 -6.241 1.972 8.464 1.00 0.00 C ATOM 320 O LEU A 19 -5.683 0.883 8.605 1.00 0.00 O ATOM 321 CB LEU A 19 -6.648 3.031 6.236 1.00 0.00 C ATOM 322 CG LEU A 19 -7.096 2.690 4.813 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.323 3.517 3.797 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.916 1.203 4.540 1.00 0.00 C ATOM 0 H LEU A 19 -8.687 3.727 7.430 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.547 1.216 6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.881 4.078 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.564 2.931 6.288 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.155 2.932 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.655 3.261 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.501 4.577 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.258 3.307 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.239 0.978 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.865 0.937 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.514 0.628 5.247 1.00 0.00 H new ATOM 336 N ARG A 20 -6.001 3.016 9.252 1.00 0.00 N ATOM 337 CA ARG A 20 -5.046 2.940 10.351 1.00 0.00 C ATOM 338 C ARG A 20 -5.506 1.935 11.403 1.00 0.00 C ATOM 339 O ARG A 20 -4.716 1.124 11.888 1.00 0.00 O ATOM 340 CB ARG A 20 -4.863 4.316 10.992 1.00 0.00 C ATOM 341 CG ARG A 20 -4.175 5.324 10.086 1.00 0.00 C ATOM 342 CD ARG A 20 -4.450 6.752 10.529 1.00 0.00 C ATOM 343 NE ARG A 20 -3.568 7.168 11.617 1.00 0.00 N ATOM 344 CZ ARG A 20 -3.648 8.349 12.218 1.00 0.00 C ATOM 345 NH1 ARG A 20 -4.567 9.228 11.840 1.00 0.00 N ATOM 346 NH2 ARG A 20 -2.810 8.653 13.200 1.00 0.00 N ATOM 0 H ARG A 20 -6.455 3.924 9.149 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.091 2.605 9.946 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.839 4.706 11.280 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.281 4.207 11.907 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.100 5.142 10.088 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.519 5.188 9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.322 7.425 9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.488 6.838 10.851 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.851 6.515 11.932 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.214 8.997 11.086 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.627 10.135 12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.103 7.979 13.494 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.872 9.561 13.661 1.00 0.00 H new ATOM 360 N GLN A 21 -6.788 1.994 11.749 1.00 0.00 N ATOM 361 CA GLN A 21 -7.352 1.089 12.744 1.00 0.00 C ATOM 362 C GLN A 21 -7.246 -0.360 12.283 1.00 0.00 C ATOM 363 O GLN A 21 -6.950 -1.255 13.077 1.00 0.00 O ATOM 364 CB GLN A 21 -8.814 1.446 13.016 1.00 0.00 C ATOM 365 CG GLN A 21 -9.260 1.143 14.438 1.00 0.00 C ATOM 366 CD GLN A 21 -9.564 -0.326 14.654 1.00 0.00 C ATOM 367 OE1 GLN A 21 -9.089 -0.937 15.612 1.00 0.00 O ATOM 368 NE2 GLN A 21 -10.362 -0.903 13.763 1.00 0.00 N ATOM 0 H GLN A 21 -7.455 2.658 11.356 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.781 1.199 13.666 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.964 2.507 12.815 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.449 0.897 12.320 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.481 1.455 15.133 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.148 1.732 14.669 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.734 -0.360 12.984 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.603 -1.890 13.858 1.00 0.00 H new ATOM 377 N LEU A 22 -7.492 -0.587 10.998 1.00 0.00 N ATOM 378 CA LEU A 22 -7.425 -1.929 10.431 1.00 0.00 C ATOM 379 C LEU A 22 -6.024 -2.514 10.579 1.00 0.00 C ATOM 380 O LEU A 22 -5.857 -3.646 11.033 1.00 0.00 O ATOM 381 CB LEU A 22 -7.824 -1.901 8.955 1.00 0.00 C ATOM 382 CG LEU A 22 -7.857 -3.254 8.243 1.00 0.00 C ATOM 383 CD1 LEU A 22 -9.064 -4.064 8.690 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.872 -3.062 6.733 1.00 0.00 C ATOM 0 H LEU A 22 -7.740 0.141 10.328 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.123 -2.563 10.978 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.811 -1.447 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.129 -1.250 8.424 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.956 -3.805 8.511 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.070 -5.023 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.011 -4.232 9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.977 -3.518 8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.895 -4.035 6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.755 -2.491 6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.976 -2.523 6.426 1.00 0.00 H new ATOM 396 N PHE A 23 -5.019 -1.733 10.196 1.00 0.00 N ATOM 397 CA PHE A 23 -3.631 -2.172 10.288 1.00 0.00 C ATOM 398 C PHE A 23 -3.224 -2.387 11.743 1.00 0.00 C ATOM 399 O PHE A 23 -2.490 -3.321 12.062 1.00 0.00 O ATOM 400 CB PHE A 23 -2.705 -1.146 9.633 1.00 0.00 C ATOM 401 CG PHE A 23 -2.511 -1.368 8.161 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.537 -1.108 7.266 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.303 -1.837 7.670 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.362 -1.311 5.910 1.00 0.00 C ATOM 405 CE2 PHE A 23 -1.121 -2.041 6.315 1.00 0.00 C ATOM 406 CZ PHE A 23 -2.153 -1.778 5.434 1.00 0.00 C ATOM 0 H PHE A 23 -5.140 -0.793 9.819 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.540 -3.121 9.760 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.112 -0.147 9.791 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.734 -1.176 10.128 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.485 -0.742 7.633 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.494 -2.046 8.354 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.170 -1.105 5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.174 -2.405 5.945 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.014 -1.938 4.375 1.00 0.00 H new ATOM 416 N GLY A 24 -3.707 -1.513 12.622 1.00 0.00 N ATOM 417 CA GLY A 24 -3.382 -1.623 14.031 1.00 0.00 C ATOM 418 C GLY A 24 -4.049 -2.815 14.690 1.00 0.00 C ATOM 419 O GLY A 24 -3.437 -3.505 15.504 1.00 0.00 O ATOM 0 H GLY A 24 -4.317 -0.732 12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.301 -1.706 14.146 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.688 -0.711 14.543 1.00 0.00 H new ATOM 423 N ASP A 25 -5.307 -3.056 14.337 1.00 0.00 N ATOM 424 CA ASP A 25 -6.058 -4.173 14.898 1.00 0.00 C ATOM 425 C ASP A 25 -5.473 -5.506 14.442 1.00 0.00 C ATOM 426 O ASP A 25 -5.653 -6.531 15.098 1.00 0.00 O ATOM 427 CB ASP A 25 -7.530 -4.081 14.492 1.00 0.00 C ATOM 428 CG ASP A 25 -8.436 -4.862 15.423 1.00 0.00 C ATOM 429 OD1 ASP A 25 -7.981 -5.884 15.976 1.00 0.00 O ATOM 430 OD2 ASP A 25 -9.602 -4.449 15.599 1.00 0.00 O ATOM 0 H ASP A 25 -5.828 -2.493 13.665 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.985 -4.118 15.984 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.837 -3.035 14.483 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.648 -4.456 13.475 1.00 0.00 H new ATOM 435 N ARG A 26 -4.773 -5.483 13.311 1.00 0.00 N ATOM 436 CA ARG A 26 -4.165 -6.690 12.766 1.00 0.00 C ATOM 437 C ARG A 26 -2.728 -6.844 13.256 1.00 0.00 C ATOM 438 O ARG A 26 -1.934 -7.579 12.667 1.00 0.00 O ATOM 439 CB ARG A 26 -4.192 -6.654 11.237 1.00 0.00 C ATOM 440 CG ARG A 26 -5.556 -6.965 10.645 1.00 0.00 C ATOM 441 CD ARG A 26 -5.763 -8.463 10.478 1.00 0.00 C ATOM 442 NE ARG A 26 -7.132 -8.786 10.085 1.00 0.00 N ATOM 443 CZ ARG A 26 -8.140 -8.881 10.945 1.00 0.00 C ATOM 444 NH1 ARG A 26 -7.933 -8.678 12.239 1.00 0.00 N ATOM 445 NH2 ARG A 26 -9.358 -9.180 10.511 1.00 0.00 N ATOM 0 H ARG A 26 -4.614 -4.642 12.756 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.743 -7.546 13.113 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.875 -5.667 10.900 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.466 -7.371 10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.335 -6.559 11.290 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.655 -6.473 9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.071 -8.843 9.726 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.526 -8.968 11.414 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.325 -8.947 9.096 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.998 -8.448 12.576 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.709 -8.752 12.897 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.521 -9.337 9.516 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.131 -9.253 11.172 1.00 0.00 H new ATOM 459 N LYS A 27 -2.400 -6.145 14.338 1.00 0.00 N ATOM 460 CA LYS A 27 -1.059 -6.203 14.909 1.00 0.00 C ATOM 461 C LYS A 27 -0.018 -5.725 13.903 1.00 0.00 C ATOM 462 O LYS A 27 1.096 -6.246 13.851 1.00 0.00 O ATOM 463 CB LYS A 27 -0.734 -7.631 15.355 1.00 0.00 C ATOM 464 CG LYS A 27 -1.130 -7.925 16.791 1.00 0.00 C ATOM 465 CD LYS A 27 -0.289 -7.128 17.775 1.00 0.00 C ATOM 466 CE LYS A 27 -0.544 -7.567 19.209 1.00 0.00 C ATOM 467 NZ LYS A 27 -1.712 -6.861 19.806 1.00 0.00 N ATOM 0 H LYS A 27 -3.044 -5.532 14.837 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.031 -5.542 15.776 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.244 -8.333 14.695 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.336 -7.804 15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.184 -7.687 16.935 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.014 -8.990 16.991 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.767 -7.253 17.537 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.515 -6.067 17.673 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.718 -8.643 19.234 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.344 -7.374 19.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.853 -7.188 20.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.535 -5.836 19.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.564 -7.066 19.246 1.00 0.00 H new ATOM 481 N LEU A 28 -0.387 -4.727 13.106 1.00 0.00 N ATOM 482 CA LEU A 28 0.517 -4.175 12.102 1.00 0.00 C ATOM 483 C LEU A 28 0.540 -2.653 12.169 1.00 0.00 C ATOM 484 O LEU A 28 -0.123 -1.963 11.393 1.00 0.00 O ATOM 485 CB LEU A 28 0.095 -4.630 10.704 1.00 0.00 C ATOM 486 CG LEU A 28 0.472 -6.062 10.322 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.398 -6.555 9.175 1.00 0.00 C ATOM 488 CD2 LEU A 28 1.945 -6.146 9.951 1.00 0.00 C ATOM 0 H LEU A 28 -1.305 -4.284 13.136 1.00 0.00 H new ATOM 0 HA LEU A 28 1.521 -4.544 12.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.987 -4.526 10.621 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.537 -3.952 9.974 1.00 0.00 H new ATOM 0 HG LEU A 28 0.299 -6.705 11.185 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.116 -7.576 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.445 -6.534 9.477 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.257 -5.909 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.195 -7.172 9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.145 -5.490 9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.553 -5.836 10.801 1.00 0.00 H new ATOM 500 N PRO A 29 1.323 -2.112 13.115 1.00 0.00 N ATOM 501 CA PRO A 29 1.453 -0.665 13.304 1.00 0.00 C ATOM 502 C PRO A 29 2.209 0.003 12.159 1.00 0.00 C ATOM 503 O PRO A 29 3.295 -0.436 11.779 1.00 0.00 O ATOM 504 CB PRO A 29 2.245 -0.547 14.609 1.00 0.00 C ATOM 505 CG PRO A 29 3.009 -1.822 14.703 1.00 0.00 C ATOM 506 CD PRO A 29 2.140 -2.875 14.074 1.00 0.00 C ATOM 0 HA PRO A 29 0.483 -0.169 13.332 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.913 0.314 14.591 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.582 -0.418 15.465 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.964 -1.743 14.184 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.230 -2.068 15.742 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.734 -3.642 13.576 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.522 -3.382 14.815 1.00 0.00 H new ATOM 514 N LEU A 30 1.629 1.066 11.614 1.00 0.00 N ATOM 515 CA LEU A 30 2.248 1.795 10.512 1.00 0.00 C ATOM 516 C LEU A 30 3.239 2.831 11.034 1.00 0.00 C ATOM 517 O LEU A 30 2.844 3.885 11.534 1.00 0.00 O ATOM 518 CB LEU A 30 1.177 2.479 9.662 1.00 0.00 C ATOM 519 CG LEU A 30 0.109 1.564 9.062 1.00 0.00 C ATOM 520 CD1 LEU A 30 -1.199 2.317 8.880 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.584 0.989 7.736 1.00 0.00 C ATOM 0 H LEU A 30 0.731 1.443 11.917 1.00 0.00 H new ATOM 0 HA LEU A 30 2.790 1.080 9.894 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.680 3.230 10.276 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.672 3.009 8.848 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.064 0.739 9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.947 1.649 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.548 2.680 9.847 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.042 3.163 8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.188 0.340 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.786 1.802 7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.495 0.412 7.895 1.00 0.00 H new ATOM 533 N ALA A 31 4.526 2.525 10.912 1.00 0.00 N ATOM 534 CA ALA A 31 5.573 3.431 11.368 1.00 0.00 C ATOM 535 C ALA A 31 5.950 4.427 10.276 1.00 0.00 C ATOM 536 O ALA A 31 7.115 4.794 10.133 1.00 0.00 O ATOM 537 CB ALA A 31 6.796 2.644 11.813 1.00 0.00 C ATOM 0 H ALA A 31 4.869 1.657 10.501 1.00 0.00 H new ATOM 0 HA ALA A 31 5.188 3.993 12.219 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.569 3.334 12.151 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.522 1.977 12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.174 2.056 10.977 1.00 0.00 H new ATOM 543 N GLY A 32 4.956 4.860 9.506 1.00 0.00 N ATOM 544 CA GLY A 32 5.205 5.808 8.437 1.00 0.00 C ATOM 545 C GLY A 32 4.009 6.698 8.160 1.00 0.00 C ATOM 546 O GLY A 32 3.187 6.935 9.044 1.00 0.00 O ATOM 0 H GLY A 32 3.983 4.571 9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.063 6.428 8.698 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.468 5.266 7.529 1.00 0.00 H new ATOM 550 N GLN A 33 3.912 7.190 6.929 1.00 0.00 N ATOM 551 CA GLN A 33 2.808 8.061 6.540 1.00 0.00 C ATOM 552 C GLN A 33 1.707 7.265 5.848 1.00 0.00 C ATOM 553 O GLN A 33 1.967 6.233 5.228 1.00 0.00 O ATOM 554 CB GLN A 33 3.309 9.172 5.616 1.00 0.00 C ATOM 555 CG GLN A 33 2.230 10.169 5.224 1.00 0.00 C ATOM 556 CD GLN A 33 2.004 11.230 6.282 1.00 0.00 C ATOM 557 OE1 GLN A 33 1.016 11.189 7.017 1.00 0.00 O ATOM 558 NE2 GLN A 33 2.919 12.189 6.366 1.00 0.00 N ATOM 0 H GLN A 33 4.583 7.001 6.185 1.00 0.00 H new ATOM 0 HA GLN A 33 2.395 8.509 7.443 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.122 9.704 6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.723 8.723 4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.508 10.650 4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.296 9.636 5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.722 12.184 5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.819 12.930 7.059 1.00 0.00 H new ATOM 567 N VAL A 34 0.474 7.752 5.957 1.00 0.00 N ATOM 568 CA VAL A 34 -0.667 7.086 5.341 1.00 0.00 C ATOM 569 C VAL A 34 -1.392 8.018 4.376 1.00 0.00 C ATOM 570 O VAL A 34 -1.645 9.182 4.692 1.00 0.00 O ATOM 571 CB VAL A 34 -1.667 6.587 6.402 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.881 5.957 5.738 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.993 5.602 7.346 1.00 0.00 C ATOM 0 H VAL A 34 0.241 8.605 6.466 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.274 6.231 4.791 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.007 7.442 6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.576 5.611 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.375 6.696 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.564 5.112 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.713 5.259 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.624 4.748 6.778 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.159 6.092 7.848 1.00 0.00 H new ATOM 583 N LEU A 35 -1.723 7.501 3.199 1.00 0.00 N ATOM 584 CA LEU A 35 -2.420 8.286 2.186 1.00 0.00 C ATOM 585 C LEU A 35 -3.654 7.548 1.677 1.00 0.00 C ATOM 586 O LEU A 35 -3.585 6.368 1.329 1.00 0.00 O ATOM 587 CB LEU A 35 -1.480 8.599 1.020 1.00 0.00 C ATOM 588 CG LEU A 35 -0.631 9.861 1.162 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.698 9.538 1.827 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.406 10.509 -0.197 1.00 0.00 C ATOM 0 H LEU A 35 -1.520 6.541 2.922 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.744 9.220 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.811 7.749 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.077 8.687 0.112 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.168 10.568 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.289 10.449 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.517 9.120 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.241 8.813 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.201 11.406 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.110 9.808 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.367 10.777 -0.636 1.00 0.00 H new ATOM 602 N LEU A 36 -4.781 8.250 1.634 1.00 0.00 N ATOM 603 CA LEU A 36 -6.031 7.662 1.165 1.00 0.00 C ATOM 604 C LEU A 36 -6.524 8.366 -0.095 1.00 0.00 C ATOM 605 O LEU A 36 -6.874 9.545 -0.065 1.00 0.00 O ATOM 606 CB LEU A 36 -7.098 7.742 2.258 1.00 0.00 C ATOM 607 CG LEU A 36 -8.536 7.475 1.814 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.679 6.051 1.299 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.504 7.730 2.960 1.00 0.00 C ATOM 0 H LEU A 36 -4.855 9.227 1.918 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.844 6.615 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.842 7.027 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.056 8.735 2.707 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.779 8.160 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.709 5.879 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.013 5.903 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.417 5.350 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.523 7.535 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.263 7.070 3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.420 8.768 3.283 1.00 0.00 H new ATOM 621 N LYS A 37 -6.551 7.632 -1.204 1.00 0.00 N ATOM 622 CA LYS A 37 -7.005 8.183 -2.475 1.00 0.00 C ATOM 623 C LYS A 37 -8.342 7.574 -2.886 1.00 0.00 C ATOM 624 O LYS A 37 -8.711 6.495 -2.423 1.00 0.00 O ATOM 625 CB LYS A 37 -5.961 7.933 -3.564 1.00 0.00 C ATOM 626 CG LYS A 37 -4.729 8.812 -3.442 1.00 0.00 C ATOM 627 CD LYS A 37 -5.012 10.235 -3.891 1.00 0.00 C ATOM 628 CE LYS A 37 -3.740 10.946 -4.328 1.00 0.00 C ATOM 629 NZ LYS A 37 -3.244 10.440 -5.638 1.00 0.00 N ATOM 0 H LYS A 37 -6.264 6.654 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.140 9.257 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.655 6.887 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.419 8.098 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.386 8.818 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.922 8.394 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.724 10.222 -4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.478 10.789 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.929 12.017 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.969 10.809 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.553 11.111 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.789 9.515 -5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.043 10.340 -6.297 1.00 0.00 H new ATOM 643 N SER A 38 -9.062 8.271 -3.759 1.00 0.00 N ATOM 644 CA SER A 38 -10.359 7.800 -4.230 1.00 0.00 C ATOM 645 C SER A 38 -10.202 6.545 -5.084 1.00 0.00 C ATOM 646 O SER A 38 -9.958 6.625 -6.287 1.00 0.00 O ATOM 647 CB SER A 38 -11.061 8.894 -5.036 1.00 0.00 C ATOM 648 OG SER A 38 -11.588 9.896 -4.183 1.00 0.00 O ATOM 0 H SER A 38 -8.769 9.164 -4.155 1.00 0.00 H new ATOM 0 HA SER A 38 -10.967 7.554 -3.360 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.357 9.342 -5.737 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.865 8.456 -5.627 1.00 0.00 H new ATOM 0 HG SER A 38 -12.030 10.585 -4.722 1.00 0.00 H new ATOM 654 N GLY A 39 -10.345 5.385 -4.451 1.00 0.00 N ATOM 655 CA GLY A 39 -10.216 4.129 -5.166 1.00 0.00 C ATOM 656 C GLY A 39 -8.984 3.348 -4.753 1.00 0.00 C ATOM 657 O GLY A 39 -8.885 2.149 -5.010 1.00 0.00 O ATOM 0 H GLY A 39 -10.548 5.293 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.103 3.521 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.174 4.327 -6.237 1.00 0.00 H new ATOM 661 N TYR A 40 -8.042 4.031 -4.111 1.00 0.00 N ATOM 662 CA TYR A 40 -6.808 3.396 -3.665 1.00 0.00 C ATOM 663 C TYR A 40 -6.187 4.168 -2.505 1.00 0.00 C ATOM 664 O TYR A 40 -6.702 5.204 -2.087 1.00 0.00 O ATOM 665 CB TYR A 40 -5.811 3.301 -4.821 1.00 0.00 C ATOM 666 CG TYR A 40 -5.624 4.603 -5.567 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.499 4.979 -6.580 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.572 5.458 -5.260 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.331 6.167 -7.264 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.398 6.649 -5.938 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.280 6.998 -6.940 1.00 0.00 C ATOM 672 OH TYR A 40 -5.111 8.183 -7.619 1.00 0.00 O ATOM 0 H TYR A 40 -8.110 5.024 -3.888 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.051 2.391 -3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.847 2.973 -4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.150 2.537 -5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.324 4.331 -6.836 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.879 5.187 -4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.020 6.444 -8.049 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.577 7.303 -5.685 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.983 8.518 -7.914 1.00 0.00 H new ATOM 682 N ALA A 41 -5.075 3.655 -1.989 1.00 0.00 N ATOM 683 CA ALA A 41 -4.381 4.295 -0.879 1.00 0.00 C ATOM 684 C ALA A 41 -2.909 3.898 -0.850 1.00 0.00 C ATOM 685 O ALA A 41 -2.529 2.847 -1.365 1.00 0.00 O ATOM 686 CB ALA A 41 -5.052 3.939 0.439 1.00 0.00 C ATOM 0 H ALA A 41 -4.635 2.797 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.436 5.374 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.523 4.424 1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.087 4.279 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.027 2.858 0.580 1.00 0.00 H new ATOM 692 N PHE A 42 -2.084 4.746 -0.243 1.00 0.00 N ATOM 693 CA PHE A 42 -0.652 4.485 -0.149 1.00 0.00 C ATOM 694 C PHE A 42 -0.202 4.448 1.308 1.00 0.00 C ATOM 695 O PHE A 42 -0.590 5.296 2.112 1.00 0.00 O ATOM 696 CB PHE A 42 0.134 5.553 -0.911 1.00 0.00 C ATOM 697 CG PHE A 42 -0.388 5.809 -2.296 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.268 4.845 -3.284 1.00 0.00 C ATOM 699 CD2 PHE A 42 -0.999 7.013 -2.609 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.747 5.078 -4.559 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.480 7.251 -3.883 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.355 6.282 -4.858 1.00 0.00 C ATOM 0 H PHE A 42 -2.383 5.619 0.191 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.455 3.511 -0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.109 6.484 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.178 5.247 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.205 3.901 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.100 7.774 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.646 4.320 -5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.953 8.194 -4.115 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.732 6.465 -5.853 1.00 0.00 H new ATOM 712 N VAL A 43 0.620 3.457 1.642 1.00 0.00 N ATOM 713 CA VAL A 43 1.125 3.309 3.001 1.00 0.00 C ATOM 714 C VAL A 43 2.638 3.130 3.010 1.00 0.00 C ATOM 715 O VAL A 43 3.198 2.446 2.151 1.00 0.00 O ATOM 716 CB VAL A 43 0.473 2.109 3.715 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.985 2.405 4.034 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.597 0.853 2.864 1.00 0.00 C ATOM 0 H VAL A 43 0.950 2.746 0.990 1.00 0.00 H new ATOM 0 HA VAL A 43 0.868 4.224 3.535 1.00 0.00 H new ATOM 0 HB VAL A 43 0.998 1.938 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.429 1.546 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.045 3.278 4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.527 2.603 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.132 0.015 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.098 1.011 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.651 0.633 2.691 1.00 0.00 H new ATOM 728 N ASP A 44 3.297 3.746 3.985 1.00 0.00 N ATOM 729 CA ASP A 44 4.747 3.653 4.106 1.00 0.00 C ATOM 730 C ASP A 44 5.142 2.518 5.046 1.00 0.00 C ATOM 731 O ASP A 44 4.743 2.495 6.210 1.00 0.00 O ATOM 732 CB ASP A 44 5.324 4.976 4.612 1.00 0.00 C ATOM 733 CG ASP A 44 6.840 4.964 4.669 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.418 3.868 4.817 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.446 6.050 4.564 1.00 0.00 O ATOM 0 H ASP A 44 2.850 4.315 4.703 1.00 0.00 H new ATOM 0 HA ASP A 44 5.157 3.442 3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.994 5.785 3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.928 5.185 5.606 1.00 0.00 H new ATOM 740 N TYR A 45 5.928 1.579 4.532 1.00 0.00 N ATOM 741 CA TYR A 45 6.375 0.439 5.324 1.00 0.00 C ATOM 742 C TYR A 45 7.756 0.696 5.919 1.00 0.00 C ATOM 743 O TYR A 45 8.616 1.329 5.306 1.00 0.00 O ATOM 744 CB TYR A 45 6.406 -0.826 4.464 1.00 0.00 C ATOM 745 CG TYR A 45 7.409 -0.767 3.336 1.00 0.00 C ATOM 746 CD1 TYR A 45 7.068 -0.220 2.104 1.00 0.00 C ATOM 747 CD2 TYR A 45 8.698 -1.259 3.499 1.00 0.00 C ATOM 748 CE1 TYR A 45 7.982 -0.164 1.069 1.00 0.00 C ATOM 749 CE2 TYR A 45 9.619 -1.206 2.471 1.00 0.00 C ATOM 750 CZ TYR A 45 9.256 -0.658 1.258 1.00 0.00 C ATOM 751 OH TYR A 45 10.170 -0.605 0.230 1.00 0.00 O ATOM 0 H TYR A 45 6.269 1.584 3.571 1.00 0.00 H new ATOM 0 HA TYR A 45 5.668 0.298 6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.636 -1.681 5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.413 -0.996 4.048 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.071 0.168 1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.985 -1.691 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.701 0.264 0.118 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.617 -1.591 2.616 1.00 0.00 H new ATOM 0 HH TYR A 45 11.019 -0.993 0.527 1.00 0.00 H new ATOM 761 N PRO A 46 7.975 0.193 7.144 1.00 0.00 N ATOM 762 CA PRO A 46 9.250 0.355 7.849 1.00 0.00 C ATOM 763 C PRO A 46 10.373 -0.455 7.209 1.00 0.00 C ATOM 764 O PRO A 46 11.476 0.051 7.002 1.00 0.00 O ATOM 765 CB PRO A 46 8.946 -0.171 9.254 1.00 0.00 C ATOM 766 CG PRO A 46 7.814 -1.121 9.067 1.00 0.00 C ATOM 767 CD PRO A 46 6.995 -0.572 7.932 1.00 0.00 C ATOM 0 HA PRO A 46 9.598 1.388 7.831 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.814 -0.669 9.686 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.675 0.640 9.930 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.179 -2.122 8.836 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.217 -1.201 9.976 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.539 -1.368 7.343 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.185 0.063 8.291 1.00 0.00 H new ATOM 775 N ASP A 47 10.085 -1.714 6.897 1.00 0.00 N ATOM 776 CA ASP A 47 11.070 -2.593 6.277 1.00 0.00 C ATOM 777 C ASP A 47 10.409 -3.524 5.267 1.00 0.00 C ATOM 778 O ASP A 47 9.192 -3.710 5.284 1.00 0.00 O ATOM 779 CB ASP A 47 11.795 -3.413 7.347 1.00 0.00 C ATOM 780 CG ASP A 47 13.184 -3.836 6.908 1.00 0.00 C ATOM 781 OD1 ASP A 47 14.075 -2.965 6.841 1.00 0.00 O ATOM 782 OD2 ASP A 47 13.378 -5.039 6.631 1.00 0.00 O ATOM 0 H ASP A 47 9.177 -2.149 7.063 1.00 0.00 H new ATOM 0 HA ASP A 47 11.795 -1.972 5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.869 -2.826 8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.206 -4.299 7.583 1.00 0.00 H new ATOM 787 N GLN A 48 11.219 -4.103 4.386 1.00 0.00 N ATOM 788 CA GLN A 48 10.711 -5.013 3.366 1.00 0.00 C ATOM 789 C GLN A 48 10.011 -6.209 4.002 1.00 0.00 C ATOM 790 O GLN A 48 8.990 -6.680 3.505 1.00 0.00 O ATOM 791 CB GLN A 48 11.852 -5.494 2.467 1.00 0.00 C ATOM 792 CG GLN A 48 11.437 -6.574 1.482 1.00 0.00 C ATOM 793 CD GLN A 48 12.582 -7.031 0.600 1.00 0.00 C ATOM 794 OE1 GLN A 48 13.695 -7.257 1.076 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.315 -7.170 -0.693 1.00 0.00 N ATOM 0 H GLN A 48 12.228 -3.958 4.358 1.00 0.00 H new ATOM 0 HA GLN A 48 9.985 -4.470 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.251 -4.644 1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.660 -5.875 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.043 -7.429 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.629 -6.198 0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.378 -6.972 -1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.047 -7.475 -1.335 1.00 0.00 H new ATOM 804 N ASN A 49 10.569 -6.695 5.107 1.00 0.00 N ATOM 805 CA ASN A 49 9.998 -7.838 5.811 1.00 0.00 C ATOM 806 C ASN A 49 8.596 -7.518 6.320 1.00 0.00 C ATOM 807 O ASN A 49 7.691 -8.348 6.237 1.00 0.00 O ATOM 808 CB ASN A 49 10.898 -8.244 6.981 1.00 0.00 C ATOM 809 CG ASN A 49 12.352 -8.380 6.572 1.00 0.00 C ATOM 810 OD1 ASN A 49 12.682 -9.491 5.924 1.00 0.00 O flip ATOM 811 ND2 ASN A 49 13.167 -7.495 6.835 1.00 0.00 N flip ATOM 0 H ASN A 49 11.414 -6.316 5.533 1.00 0.00 H new ATOM 0 HA ASN A 49 9.929 -8.669 5.109 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.815 -7.501 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.549 -9.191 7.393 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.867 -6.658 7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 49 14.142 -7.599 6.553 1.00 0.00 H new ATOM 818 N TRP A 50 8.425 -6.311 6.846 1.00 0.00 N ATOM 819 CA TRP A 50 7.133 -5.881 7.369 1.00 0.00 C ATOM 820 C TRP A 50 6.102 -5.774 6.251 1.00 0.00 C ATOM 821 O TRP A 50 4.951 -6.178 6.415 1.00 0.00 O ATOM 822 CB TRP A 50 7.271 -4.535 8.083 1.00 0.00 C ATOM 823 CG TRP A 50 5.971 -4.005 8.608 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.543 -4.023 9.904 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.930 -3.382 7.847 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.298 -3.448 9.997 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.900 -3.046 8.749 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.767 -3.074 6.495 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.728 -2.418 8.338 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.602 -2.451 6.088 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.595 -2.128 7.007 1.00 0.00 C ATOM 0 H TRP A 50 9.164 -5.612 6.922 1.00 0.00 H new ATOM 0 HA TRP A 50 6.791 -6.630 8.083 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.973 -4.641 8.910 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.699 -3.808 7.393 1.00 0.00 H new ATOM 0 HD1 TRP A 50 6.101 -4.429 10.735 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.758 -3.338 10.855 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.538 -3.318 5.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.950 -2.168 9.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.466 -2.209 5.044 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.696 -1.641 6.658 1.00 0.00 H new ATOM 842 N ALA A 51 6.522 -5.228 5.115 1.00 0.00 N ATOM 843 CA ALA A 51 5.635 -5.071 3.969 1.00 0.00 C ATOM 844 C ALA A 51 5.079 -6.417 3.516 1.00 0.00 C ATOM 845 O ALA A 51 3.873 -6.567 3.323 1.00 0.00 O ATOM 846 CB ALA A 51 6.368 -4.388 2.823 1.00 0.00 C ATOM 0 H ALA A 51 7.471 -4.887 4.964 1.00 0.00 H new ATOM 0 HA ALA A 51 4.796 -4.445 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.693 -4.277 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.710 -3.405 3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.226 -4.992 2.528 1.00 0.00 H new ATOM 852 N ILE A 52 5.966 -7.391 3.349 1.00 0.00 N ATOM 853 CA ILE A 52 5.564 -8.724 2.918 1.00 0.00 C ATOM 854 C ILE A 52 4.646 -9.380 3.946 1.00 0.00 C ATOM 855 O ILE A 52 3.623 -9.967 3.595 1.00 0.00 O ATOM 856 CB ILE A 52 6.784 -9.633 2.684 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.720 -9.010 1.645 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.337 -11.017 2.238 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.129 -9.556 1.696 1.00 0.00 C ATOM 0 H ILE A 52 6.968 -7.282 3.506 1.00 0.00 H new ATOM 0 HA ILE A 52 5.027 -8.602 1.978 1.00 0.00 H new ATOM 0 HB ILE A 52 7.328 -9.733 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.309 -9.180 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.751 -7.931 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.211 -11.647 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.706 -11.461 3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.772 -10.935 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.736 -9.069 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.559 -9.362 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.110 -10.630 1.514 1.00 0.00 H new ATOM 871 N ARG A 53 5.020 -9.273 5.217 1.00 0.00 N ATOM 872 CA ARG A 53 4.231 -9.855 6.296 1.00 0.00 C ATOM 873 C ARG A 53 2.921 -9.096 6.482 1.00 0.00 C ATOM 874 O ARG A 53 1.916 -9.666 6.906 1.00 0.00 O ATOM 875 CB ARG A 53 5.028 -9.845 7.602 1.00 0.00 C ATOM 876 CG ARG A 53 4.430 -10.726 8.687 1.00 0.00 C ATOM 877 CD ARG A 53 4.462 -12.194 8.293 1.00 0.00 C ATOM 878 NE ARG A 53 4.547 -13.071 9.457 1.00 0.00 N ATOM 879 CZ ARG A 53 4.867 -14.358 9.386 1.00 0.00 C ATOM 880 NH1 ARG A 53 5.130 -14.916 8.211 1.00 0.00 N ATOM 881 NH2 ARG A 53 4.925 -15.092 10.490 1.00 0.00 N ATOM 0 H ARG A 53 5.864 -8.789 5.524 1.00 0.00 H new ATOM 0 HA ARG A 53 3.999 -10.886 6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.047 -10.175 7.399 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.092 -8.821 7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.982 -10.586 9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.401 -10.422 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.566 -12.436 7.722 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.315 -12.375 7.639 1.00 0.00 H new ATOM 0 HE ARG A 53 4.350 -12.673 10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.087 -14.356 7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.376 -15.905 8.159 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.724 -14.668 11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.171 -16.080 10.433 1.00 0.00 H new ATOM 895 N ALA A 54 2.939 -7.806 6.161 1.00 0.00 N ATOM 896 CA ALA A 54 1.753 -6.970 6.290 1.00 0.00 C ATOM 897 C ALA A 54 0.732 -7.293 5.205 1.00 0.00 C ATOM 898 O ALA A 54 -0.460 -7.433 5.483 1.00 0.00 O ATOM 899 CB ALA A 54 2.136 -5.498 6.236 1.00 0.00 C ATOM 0 H ALA A 54 3.763 -7.318 5.810 1.00 0.00 H new ATOM 0 HA ALA A 54 1.295 -7.180 7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.240 -4.885 6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.822 -5.270 7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.621 -5.283 5.284 1.00 0.00 H new ATOM 905 N ILE A 55 1.206 -7.410 3.969 1.00 0.00 N ATOM 906 CA ILE A 55 0.332 -7.717 2.843 1.00 0.00 C ATOM 907 C ILE A 55 -0.320 -9.085 3.011 1.00 0.00 C ATOM 908 O ILE A 55 -1.530 -9.231 2.842 1.00 0.00 O ATOM 909 CB ILE A 55 1.103 -7.689 1.510 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.646 -6.283 1.239 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.205 -8.144 0.369 1.00 0.00 C ATOM 912 CD1 ILE A 55 2.907 -6.273 0.406 1.00 0.00 C ATOM 0 H ILE A 55 2.189 -7.297 3.722 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.441 -6.949 2.824 1.00 0.00 H new ATOM 0 HB ILE A 55 1.946 -8.377 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.880 -5.698 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.845 -5.789 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.764 -8.119 -0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.138 -9.161 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.655 -7.479 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.234 -5.245 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.689 -6.830 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.709 -6.737 -0.560 1.00 0.00 H new ATOM 924 N GLU A 56 0.490 -10.085 3.345 1.00 0.00 N ATOM 925 CA GLU A 56 -0.009 -11.441 3.537 1.00 0.00 C ATOM 926 C GLU A 56 -0.996 -11.498 4.699 1.00 0.00 C ATOM 927 O GLU A 56 -2.030 -12.163 4.620 1.00 0.00 O ATOM 928 CB GLU A 56 1.151 -12.405 3.791 1.00 0.00 C ATOM 929 CG GLU A 56 1.720 -13.022 2.524 1.00 0.00 C ATOM 930 CD GLU A 56 3.081 -13.653 2.742 1.00 0.00 C ATOM 931 OE1 GLU A 56 4.024 -12.922 3.107 1.00 0.00 O ATOM 932 OE2 GLU A 56 3.202 -14.882 2.547 1.00 0.00 O ATOM 0 H GLU A 56 1.495 -9.981 3.488 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.528 -11.741 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.946 -11.874 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.811 -13.202 4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.029 -13.778 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.799 -12.254 1.754 1.00 0.00 H new ATOM 939 N THR A 57 -0.670 -10.796 5.780 1.00 0.00 N ATOM 940 CA THR A 57 -1.525 -10.768 6.960 1.00 0.00 C ATOM 941 C THR A 57 -2.739 -9.874 6.737 1.00 0.00 C ATOM 942 O THR A 57 -3.792 -10.075 7.345 1.00 0.00 O ATOM 943 CB THR A 57 -0.757 -10.271 8.199 1.00 0.00 C ATOM 944 OG1 THR A 57 0.243 -11.227 8.571 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.703 -10.040 9.366 1.00 0.00 C ATOM 0 H THR A 57 0.181 -10.239 5.862 1.00 0.00 H new ATOM 0 HA THR A 57 -1.857 -11.791 7.134 1.00 0.00 H new ATOM 0 HB THR A 57 -0.279 -9.324 7.947 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.090 -11.001 8.134 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.137 -9.689 10.229 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.445 -9.291 9.090 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.206 -10.974 9.617 1.00 0.00 H new ATOM 953 N LEU A 58 -2.588 -8.886 5.862 1.00 0.00 N ATOM 954 CA LEU A 58 -3.675 -7.960 5.558 1.00 0.00 C ATOM 955 C LEU A 58 -4.305 -8.286 4.208 1.00 0.00 C ATOM 956 O LEU A 58 -5.402 -8.841 4.142 1.00 0.00 O ATOM 957 CB LEU A 58 -3.158 -6.520 5.558 1.00 0.00 C ATOM 958 CG LEU A 58 -2.564 -6.020 6.876 1.00 0.00 C ATOM 959 CD1 LEU A 58 -1.996 -4.620 6.708 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.615 -6.042 7.977 1.00 0.00 C ATOM 0 H LEU A 58 -1.724 -8.705 5.350 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.438 -8.066 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.398 -6.428 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.980 -5.860 5.279 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.752 -6.688 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.578 -4.281 7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.213 -4.634 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.790 -3.940 6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.175 -5.683 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.448 -5.397 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.975 -7.061 8.116 1.00 0.00 H new ATOM 972 N SER A 59 -3.604 -7.939 3.134 1.00 0.00 N ATOM 973 CA SER A 59 -4.097 -8.192 1.785 1.00 0.00 C ATOM 974 C SER A 59 -4.417 -9.672 1.593 1.00 0.00 C ATOM 975 O SER A 59 -3.568 -10.536 1.807 1.00 0.00 O ATOM 976 CB SER A 59 -3.063 -7.744 0.749 1.00 0.00 C ATOM 977 OG SER A 59 -3.490 -8.059 -0.565 1.00 0.00 O ATOM 0 H SER A 59 -2.693 -7.482 3.171 1.00 0.00 H new ATOM 0 HA SER A 59 -5.013 -7.618 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.900 -6.670 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.108 -8.229 0.951 1.00 0.00 H new ATOM 0 HG SER A 59 -2.708 -8.222 -1.133 1.00 0.00 H new ATOM 983 N GLY A 60 -5.652 -9.956 1.187 1.00 0.00 N ATOM 984 CA GLY A 60 -6.065 -11.330 0.973 1.00 0.00 C ATOM 985 C GLY A 60 -6.428 -12.035 2.265 1.00 0.00 C ATOM 986 O GLY A 60 -6.863 -13.186 2.253 1.00 0.00 O ATOM 0 H GLY A 60 -6.373 -9.258 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.922 -11.348 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.261 -11.875 0.479 1.00 0.00 H new ATOM 990 N LYS A 61 -6.247 -11.343 3.386 1.00 0.00 N ATOM 991 CA LYS A 61 -6.558 -11.907 4.693 1.00 0.00 C ATOM 992 C LYS A 61 -7.537 -11.017 5.451 1.00 0.00 C ATOM 993 O LYS A 61 -8.151 -11.445 6.429 1.00 0.00 O ATOM 994 CB LYS A 61 -5.277 -12.088 5.511 1.00 0.00 C ATOM 995 CG LYS A 61 -4.575 -13.411 5.258 1.00 0.00 C ATOM 996 CD LYS A 61 -5.344 -14.575 5.861 1.00 0.00 C ATOM 997 CE LYS A 61 -4.970 -15.893 5.198 1.00 0.00 C ATOM 998 NZ LYS A 61 -5.710 -16.101 3.924 1.00 0.00 N ATOM 0 H LYS A 61 -5.886 -10.389 3.414 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.024 -12.880 4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.591 -11.273 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.519 -12.012 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.463 -13.565 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.571 -13.378 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.139 -14.633 6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.414 -14.402 5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.898 -15.910 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.183 -16.716 5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.428 -17.009 3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.732 -16.110 4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.488 -15.329 3.263 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.678 -9.777 4.994 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.585 -8.827 5.628 1.00 0.00 C ATOM 1014 C VAL A 62 -9.391 -8.059 4.587 1.00 0.00 C ATOM 1015 O VAL A 62 -8.881 -7.719 3.520 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.820 -7.825 6.512 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -7.150 -6.762 5.657 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -8.755 -7.192 7.531 1.00 0.00 C ATOM 0 H VAL A 62 -7.176 -9.407 4.187 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.264 -9.406 6.254 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.042 -8.364 7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.614 -6.063 6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.448 -7.236 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.907 -6.224 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.198 -6.487 8.147 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.556 -6.666 7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.182 -7.969 8.165 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.652 -7.785 4.906 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.529 -7.054 3.998 1.00 0.00 C ATOM 1030 C GLU A 63 -12.200 -5.885 4.712 1.00 0.00 C ATOM 1031 O GLU A 63 -12.498 -5.960 5.905 1.00 0.00 O ATOM 1032 CB GLU A 63 -12.591 -7.990 3.418 1.00 0.00 C ATOM 1033 CG GLU A 63 -13.761 -8.237 4.355 1.00 0.00 C ATOM 1034 CD GLU A 63 -13.418 -9.196 5.477 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -12.662 -8.797 6.388 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -13.904 -10.345 5.447 1.00 0.00 O ATOM 0 H GLU A 63 -11.089 -8.058 5.786 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.920 -6.658 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.966 -7.567 2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.126 -8.945 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.087 -7.288 4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.600 -8.636 3.785 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.434 -4.806 3.975 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.069 -3.618 4.535 1.00 0.00 C ATOM 1045 C LEU A 64 -14.351 -3.279 3.782 1.00 0.00 C ATOM 1046 O LEU A 64 -14.375 -3.271 2.550 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.107 -2.430 4.491 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.296 -1.371 5.577 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.188 -1.999 6.958 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.276 -0.253 5.415 1.00 0.00 C ATOM 0 H LEU A 64 -12.193 -4.729 2.987 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.325 -3.830 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.088 -2.811 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.204 -1.946 3.519 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.293 -0.943 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.325 -1.231 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.957 -2.763 7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.204 -2.454 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.425 0.492 6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.270 -0.664 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.401 0.215 4.439 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.414 -2.995 4.528 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.699 -2.651 3.929 1.00 0.00 C ATOM 1064 C HIS A 65 -17.259 -3.827 3.134 1.00 0.00 C ATOM 1065 O HIS A 65 -18.050 -3.642 2.210 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.551 -1.430 3.020 1.00 0.00 C ATOM 1067 CG HIS A 65 -16.773 -0.128 3.726 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -15.913 0.671 4.400 1.00 0.00 N flip ATOM 1069 CD2 HIS A 65 -18.003 0.492 3.793 1.00 0.00 C flip ATOM 1070 CE1 HIS A 65 -16.632 1.749 4.856 1.00 0.00 C flip ATOM 1071 NE2 HIS A 65 -17.890 1.617 4.476 1.00 0.00 N flip ATOM 0 H HIS A 65 -15.411 -2.996 5.548 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.396 -2.414 4.733 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.552 -1.431 2.583 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.260 -1.513 2.196 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -18.916 0.116 3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.233 2.571 5.432 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -18.646 2.272 4.676 1.00 0.00 H new ATOM 1079 N GLY A 66 -16.844 -5.035 3.502 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.316 -6.223 2.812 1.00 0.00 C ATOM 1081 C GLY A 66 -16.484 -6.550 1.588 1.00 0.00 C ATOM 1082 O GLY A 66 -16.726 -7.551 0.913 1.00 0.00 O ATOM 0 H GLY A 66 -16.190 -5.213 4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.296 -7.070 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.354 -6.078 2.514 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.501 -5.704 1.299 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.630 -5.908 0.148 1.00 0.00 C ATOM 1088 C LYS A 67 -13.205 -6.221 0.592 1.00 0.00 C ATOM 1089 O LYS A 67 -12.663 -5.564 1.481 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.635 -4.666 -0.747 1.00 0.00 C ATOM 1091 CG LYS A 67 -15.963 -4.423 -1.443 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.061 -3.003 -1.976 1.00 0.00 C ATOM 1093 CE LYS A 67 -15.000 -2.730 -3.031 1.00 0.00 C ATOM 1094 NZ LYS A 67 -15.368 -3.315 -4.351 1.00 0.00 N ATOM 0 H LYS A 67 -15.288 -4.870 1.846 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.010 -6.759 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.385 -3.793 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.853 -4.768 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.079 -5.130 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.780 -4.608 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.051 -2.841 -2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.949 -2.296 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.861 -1.654 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.047 -3.144 -2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.620 -3.108 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.476 -4.345 -4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.265 -2.901 -4.676 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.603 -7.228 -0.033 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.240 -7.626 0.297 1.00 0.00 C ATOM 1110 C ILE A 68 -10.238 -6.561 -0.133 1.00 0.00 C ATOM 1111 O ILE A 68 -10.259 -6.098 -1.273 1.00 0.00 O ATOM 1112 CB ILE A 68 -10.868 -8.964 -0.368 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -11.966 -10.001 -0.125 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.532 -9.464 0.161 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.056 -10.462 1.313 1.00 0.00 C ATOM 0 H ILE A 68 -13.038 -7.783 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.199 -7.744 1.380 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.775 -8.806 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.926 -9.579 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.786 -10.865 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.282 -10.411 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.756 -8.730 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.599 -9.610 1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.856 -11.196 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.110 -10.915 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.267 -9.608 1.956 1.00 0.00 H new ATOM 1127 N MET A 69 -9.357 -6.178 0.787 1.00 0.00 N ATOM 1128 CA MET A 69 -8.344 -5.170 0.502 1.00 0.00 C ATOM 1129 C MET A 69 -7.123 -5.798 -0.161 1.00 0.00 C ATOM 1130 O MET A 69 -6.678 -6.877 0.233 1.00 0.00 O ATOM 1131 CB MET A 69 -7.929 -4.454 1.789 1.00 0.00 C ATOM 1132 CG MET A 69 -6.723 -5.080 2.470 1.00 0.00 C ATOM 1133 SD MET A 69 -6.369 -4.339 4.075 1.00 0.00 S ATOM 1134 CE MET A 69 -6.594 -2.601 3.702 1.00 0.00 C ATOM 0 H MET A 69 -9.325 -6.551 1.736 1.00 0.00 H new ATOM 0 HA MET A 69 -8.775 -4.443 -0.186 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.706 -3.412 1.560 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.769 -4.455 2.483 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.897 -6.148 2.598 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.851 -4.974 1.825 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.069 -1.999 4.443 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.194 -2.387 2.711 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.656 -2.359 3.724 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.585 -5.118 -1.169 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.415 -5.613 -1.886 1.00 0.00 C ATOM 1146 C GLU A 70 -4.234 -4.661 -1.720 1.00 0.00 C ATOM 1147 O GLU A 70 -4.328 -3.476 -2.036 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.737 -5.791 -3.370 1.00 0.00 C ATOM 1149 CG GLU A 70 -4.734 -6.659 -4.111 1.00 0.00 C ATOM 1150 CD GLU A 70 -4.619 -6.295 -5.579 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -4.420 -5.100 -5.879 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -4.729 -7.206 -6.427 1.00 0.00 O ATOM 0 H GLU A 70 -6.940 -4.224 -1.507 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.142 -6.580 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.729 -6.233 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.777 -4.811 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.756 -6.562 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.028 -7.705 -4.022 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.121 -5.191 -1.221 1.00 0.00 N ATOM 1160 CA VAL A 71 -1.919 -4.391 -1.015 1.00 0.00 C ATOM 1161 C VAL A 71 -0.758 -4.916 -1.851 1.00 0.00 C ATOM 1162 O VAL A 71 -0.460 -6.111 -1.836 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.504 -4.374 0.468 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.402 -3.353 0.703 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.707 -4.086 1.354 1.00 0.00 C ATOM 0 H VAL A 71 -3.027 -6.170 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.158 -3.375 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.116 -5.358 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.122 -3.356 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.467 -3.609 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.759 -2.361 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.396 -4.078 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.127 -3.115 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.461 -4.859 1.206 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.104 -4.016 -2.578 1.00 0.00 N ATOM 1176 CA ASP A 72 1.027 -4.389 -3.418 1.00 0.00 C ATOM 1177 C ASP A 72 1.945 -3.195 -3.654 1.00 0.00 C ATOM 1178 O ASP A 72 1.481 -2.071 -3.852 1.00 0.00 O ATOM 1179 CB ASP A 72 0.535 -4.941 -4.757 1.00 0.00 C ATOM 1180 CG ASP A 72 1.573 -5.806 -5.445 1.00 0.00 C ATOM 1181 OD1 ASP A 72 2.504 -5.241 -6.056 1.00 0.00 O ATOM 1182 OD2 ASP A 72 1.454 -7.047 -5.372 1.00 0.00 O ATOM 0 H ASP A 72 -0.338 -3.024 -2.602 1.00 0.00 H new ATOM 0 HA ASP A 72 1.593 -5.163 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.371 -5.526 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.266 -4.112 -5.411 1.00 0.00 H new ATOM 1187 N TYR A 73 3.250 -3.444 -3.631 1.00 0.00 N ATOM 1188 CA TYR A 73 4.234 -2.389 -3.838 1.00 0.00 C ATOM 1189 C TYR A 73 3.740 -1.377 -4.868 1.00 0.00 C ATOM 1190 O TYR A 73 3.256 -1.748 -5.937 1.00 0.00 O ATOM 1191 CB TYR A 73 5.566 -2.987 -4.295 1.00 0.00 C ATOM 1192 CG TYR A 73 6.149 -3.982 -3.317 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.845 -3.556 -2.193 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.004 -5.350 -3.518 1.00 0.00 C ATOM 1195 CE1 TYR A 73 7.380 -4.462 -1.298 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.534 -6.263 -2.628 1.00 0.00 C ATOM 1197 CZ TYR A 73 7.222 -5.814 -1.519 1.00 0.00 C ATOM 1198 OH TYR A 73 7.753 -6.721 -0.630 1.00 0.00 O ATOM 0 H TYR A 73 3.651 -4.368 -3.471 1.00 0.00 H new ATOM 0 HA TYR A 73 4.380 -1.874 -2.889 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.423 -3.477 -5.258 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.283 -2.181 -4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.970 -2.498 -2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.467 -5.705 -4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.919 -4.113 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.411 -7.322 -2.799 1.00 0.00 H new ATOM 0 HH TYR A 73 7.551 -7.631 -0.932 1.00 0.00 H new ATOM 1208 N SER A 74 3.865 -0.095 -4.536 1.00 0.00 N ATOM 1209 CA SER A 74 3.428 0.972 -5.429 1.00 0.00 C ATOM 1210 C SER A 74 4.517 1.314 -6.440 1.00 0.00 C ATOM 1211 O SER A 74 4.844 2.483 -6.647 1.00 0.00 O ATOM 1212 CB SER A 74 3.054 2.218 -4.624 1.00 0.00 C ATOM 1213 OG SER A 74 4.207 2.847 -4.093 1.00 0.00 O ATOM 0 H SER A 74 4.265 0.229 -3.656 1.00 0.00 H new ATOM 0 HA SER A 74 2.550 0.622 -5.972 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.515 2.919 -5.262 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.380 1.942 -3.813 1.00 0.00 H new ATOM 0 HG SER A 74 4.586 2.289 -3.382 1.00 0.00 H new ATOM 1219 N VAL A 75 5.077 0.285 -7.068 1.00 0.00 N ATOM 1220 CA VAL A 75 6.130 0.474 -8.060 1.00 0.00 C ATOM 1221 C VAL A 75 5.627 0.157 -9.463 1.00 0.00 C ATOM 1222 O VAL A 75 5.078 -0.917 -9.708 1.00 0.00 O ATOM 1223 CB VAL A 75 7.355 -0.407 -7.753 1.00 0.00 C ATOM 1224 CG1 VAL A 75 8.108 0.126 -6.545 1.00 0.00 C ATOM 1225 CG2 VAL A 75 6.930 -1.851 -7.532 1.00 0.00 C ATOM 0 H VAL A 75 4.819 -0.689 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 75 6.425 1.522 -8.012 1.00 0.00 H new ATOM 0 HB VAL A 75 8.026 -0.376 -8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.970 -0.510 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.446 1.143 -6.746 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.449 0.128 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.808 -2.460 -7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.238 -1.902 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.439 -2.227 -8.430 1.00 0.00 H new ATOM 1235 N SER A 76 5.818 1.099 -10.382 1.00 0.00 N ATOM 1236 CA SER A 76 5.381 0.920 -11.762 1.00 0.00 C ATOM 1237 C SER A 76 6.043 1.945 -12.678 1.00 0.00 C ATOM 1238 O SER A 76 6.426 3.031 -12.240 1.00 0.00 O ATOM 1239 CB SER A 76 3.859 1.042 -11.857 1.00 0.00 C ATOM 1240 OG SER A 76 3.356 0.300 -12.954 1.00 0.00 O ATOM 0 H SER A 76 6.272 1.993 -10.196 1.00 0.00 H new ATOM 0 HA SER A 76 5.679 -0.077 -12.086 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.404 0.685 -10.933 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.581 2.090 -11.965 1.00 0.00 H new ATOM 0 HG SER A 76 2.381 0.393 -12.992 1.00 0.00 H new ATOM 1246 N LYS A 77 6.173 1.594 -13.952 1.00 0.00 N ATOM 1247 CA LYS A 77 6.786 2.481 -14.932 1.00 0.00 C ATOM 1248 C LYS A 77 5.724 3.153 -15.798 1.00 0.00 C ATOM 1249 O LYS A 77 4.785 2.506 -16.260 1.00 0.00 O ATOM 1250 CB LYS A 77 7.762 1.702 -15.817 1.00 0.00 C ATOM 1251 CG LYS A 77 8.610 2.586 -16.714 1.00 0.00 C ATOM 1252 CD LYS A 77 9.789 3.179 -15.959 1.00 0.00 C ATOM 1253 CE LYS A 77 10.906 2.162 -15.782 1.00 0.00 C ATOM 1254 NZ LYS A 77 12.182 2.806 -15.367 1.00 0.00 N ATOM 0 H LYS A 77 5.861 0.700 -14.331 1.00 0.00 H new ATOM 0 HA LYS A 77 7.333 3.254 -14.392 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.419 1.107 -15.182 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.199 1.004 -16.437 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.974 2.004 -17.561 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.996 3.389 -17.120 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.168 4.047 -16.498 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.457 3.530 -14.982 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.611 1.425 -15.035 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.058 1.624 -16.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.918 2.079 -15.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.477 3.491 -16.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.044 3.299 -14.461 1.00 0.00 H new ATOM 1268 N LYS A 78 5.881 4.455 -16.013 1.00 0.00 N ATOM 1269 CA LYS A 78 4.938 5.215 -16.825 1.00 0.00 C ATOM 1270 C LYS A 78 5.586 5.670 -18.129 1.00 0.00 C ATOM 1271 O LYS A 78 5.044 5.450 -19.214 1.00 0.00 O ATOM 1272 CB LYS A 78 4.427 6.429 -16.047 1.00 0.00 C ATOM 1273 CG LYS A 78 3.050 6.897 -16.487 1.00 0.00 C ATOM 1274 CD LYS A 78 2.414 7.807 -15.449 1.00 0.00 C ATOM 1275 CE LYS A 78 1.660 7.011 -14.396 1.00 0.00 C ATOM 1276 NZ LYS A 78 0.259 6.724 -14.813 1.00 0.00 N ATOM 0 H LYS A 78 6.652 5.006 -15.636 1.00 0.00 H new ATOM 0 HA LYS A 78 4.097 4.564 -17.065 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.396 6.183 -14.986 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.135 7.249 -16.164 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.130 7.426 -17.436 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.408 6.033 -16.657 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.186 8.408 -14.968 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.731 8.500 -15.941 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.182 6.073 -14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.653 7.566 -13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.220 6.180 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.247 7.619 -14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.265 6.172 -15.695 1.00 0.00 H new ATOM 1290 N LEU A 79 6.749 6.303 -18.018 1.00 0.00 N ATOM 1291 CA LEU A 79 7.472 6.787 -19.189 1.00 0.00 C ATOM 1292 C LEU A 79 8.891 6.230 -19.220 1.00 0.00 C ATOM 1293 O LEU A 79 9.500 5.995 -18.177 1.00 0.00 O ATOM 1294 CB LEU A 79 7.512 8.316 -19.191 1.00 0.00 C ATOM 1295 CG LEU A 79 8.355 8.964 -20.289 1.00 0.00 C ATOM 1296 CD1 LEU A 79 7.750 8.690 -21.658 1.00 0.00 C ATOM 1297 CD2 LEU A 79 8.482 10.461 -20.051 1.00 0.00 C ATOM 0 H LEU A 79 7.211 6.493 -17.129 1.00 0.00 H new ATOM 0 HA LEU A 79 6.946 6.442 -20.079 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.491 8.686 -19.279 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.890 8.651 -18.225 1.00 0.00 H new ATOM 0 HG LEU A 79 9.353 8.526 -20.260 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.363 9.159 -22.427 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.712 7.614 -21.830 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.741 9.100 -21.699 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.085 10.905 -20.843 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.491 10.915 -20.052 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.961 10.637 -19.088 1.00 0.00 H new ATOM 1309 N ARG A 80 9.414 6.025 -20.426 1.00 0.00 N ATOM 1310 CA ARG A 80 10.762 5.496 -20.594 1.00 0.00 C ATOM 1311 C ARG A 80 11.803 6.597 -20.416 1.00 0.00 C ATOM 1312 O ARG A 80 11.781 7.606 -21.120 1.00 0.00 O ATOM 1313 CB ARG A 80 10.913 4.855 -21.974 1.00 0.00 C ATOM 1314 CG ARG A 80 10.663 5.818 -23.123 1.00 0.00 C ATOM 1315 CD ARG A 80 10.625 5.092 -24.460 1.00 0.00 C ATOM 1316 NE ARG A 80 9.871 5.836 -25.465 1.00 0.00 N ATOM 1317 CZ ARG A 80 10.041 5.683 -26.774 1.00 0.00 C ATOM 1318 NH1 ARG A 80 10.934 4.815 -27.232 1.00 0.00 N ATOM 1319 NH2 ARG A 80 9.318 6.396 -27.627 1.00 0.00 N ATOM 0 H ARG A 80 8.924 6.217 -21.300 1.00 0.00 H new ATOM 0 HA ARG A 80 10.926 4.737 -19.829 1.00 0.00 H new ATOM 0 HB2 ARG A 80 11.919 4.445 -22.067 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.219 4.018 -22.055 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.719 6.339 -22.964 1.00 0.00 H new ATOM 0 HG3 ARG A 80 11.446 6.576 -23.141 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.643 4.933 -24.815 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.177 4.108 -24.325 1.00 0.00 H new ATOM 0 HE ARG A 80 9.176 6.510 -25.145 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.491 4.264 -26.579 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.063 4.699 -28.237 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.630 7.063 -27.279 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.450 6.277 -28.631 1.00 0.00 H new ATOM 1333 N SER A 81 12.715 6.396 -19.469 1.00 0.00 N ATOM 1334 CA SER A 81 13.762 7.373 -19.195 1.00 0.00 C ATOM 1335 C SER A 81 14.399 7.864 -20.492 1.00 0.00 C ATOM 1336 O SER A 81 14.944 7.076 -21.266 1.00 0.00 O ATOM 1337 CB SER A 81 14.831 6.765 -18.287 1.00 0.00 C ATOM 1338 OG SER A 81 14.446 6.841 -16.925 1.00 0.00 O ATOM 0 H SER A 81 12.749 5.565 -18.879 1.00 0.00 H new ATOM 0 HA SER A 81 13.307 8.224 -18.689 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.998 5.724 -18.563 1.00 0.00 H new ATOM 0 HB3 SER A 81 15.776 7.289 -18.431 1.00 0.00 H new ATOM 0 HG SER A 81 15.145 6.444 -16.365 1.00 0.00 H new ATOM 1344 N SER A 82 14.326 9.171 -20.722 1.00 0.00 N ATOM 1345 CA SER A 82 14.892 9.768 -21.926 1.00 0.00 C ATOM 1346 C SER A 82 15.685 11.026 -21.587 1.00 0.00 C ATOM 1347 O SER A 82 15.168 11.949 -20.958 1.00 0.00 O ATOM 1348 CB SER A 82 13.782 10.104 -22.924 1.00 0.00 C ATOM 1349 OG SER A 82 14.278 10.121 -24.251 1.00 0.00 O ATOM 0 H SER A 82 13.881 9.837 -20.091 1.00 0.00 H new ATOM 0 HA SER A 82 15.570 9.043 -22.378 1.00 0.00 H new ATOM 0 HB2 SER A 82 12.980 9.370 -22.841 1.00 0.00 H new ATOM 0 HB3 SER A 82 13.352 11.075 -22.681 1.00 0.00 H new ATOM 0 HG SER A 82 13.549 10.336 -24.870 1.00 0.00 H new ATOM 1355 N GLY A 83 16.946 11.056 -22.010 1.00 0.00 N ATOM 1356 CA GLY A 83 17.790 12.205 -21.743 1.00 0.00 C ATOM 1357 C GLY A 83 18.699 12.540 -22.909 1.00 0.00 C ATOM 1358 O GLY A 83 19.862 12.140 -22.953 1.00 0.00 O ATOM 0 H GLY A 83 17.397 10.305 -22.532 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.163 13.067 -21.515 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.396 12.009 -20.858 1.00 0.00 H new ATOM 1362 N PRO A 84 18.165 13.291 -23.884 1.00 0.00 N ATOM 1363 CA PRO A 84 18.918 13.696 -25.075 1.00 0.00 C ATOM 1364 C PRO A 84 20.007 14.714 -24.754 1.00 0.00 C ATOM 1365 O PRO A 84 19.950 15.396 -23.732 1.00 0.00 O ATOM 1366 CB PRO A 84 17.850 14.321 -25.975 1.00 0.00 C ATOM 1367 CG PRO A 84 16.789 14.786 -25.037 1.00 0.00 C ATOM 1368 CD PRO A 84 16.784 13.803 -23.899 1.00 0.00 C ATOM 0 HA PRO A 84 19.441 12.856 -25.532 1.00 0.00 H new ATOM 0 HB2 PRO A 84 18.256 15.149 -26.555 1.00 0.00 H new ATOM 0 HB3 PRO A 84 17.458 13.595 -26.687 1.00 0.00 H new ATOM 0 HG2 PRO A 84 16.998 15.795 -24.681 1.00 0.00 H new ATOM 0 HG3 PRO A 84 15.818 14.817 -25.531 1.00 0.00 H new ATOM 0 HD2 PRO A 84 16.523 14.282 -22.955 1.00 0.00 H new ATOM 0 HD3 PRO A 84 16.061 13.004 -24.062 1.00 0.00 H new ATOM 1376 N SER A 85 20.999 14.810 -25.634 1.00 0.00 N ATOM 1377 CA SER A 85 22.102 15.743 -25.443 1.00 0.00 C ATOM 1378 C SER A 85 22.146 16.772 -26.568 1.00 0.00 C ATOM 1379 O SER A 85 22.224 17.975 -26.321 1.00 0.00 O ATOM 1380 CB SER A 85 23.431 14.986 -25.377 1.00 0.00 C ATOM 1381 OG SER A 85 23.693 14.307 -26.592 1.00 0.00 O ATOM 0 H SER A 85 21.061 14.253 -26.486 1.00 0.00 H new ATOM 0 HA SER A 85 21.942 16.268 -24.501 1.00 0.00 H new ATOM 0 HB2 SER A 85 24.241 15.685 -25.166 1.00 0.00 H new ATOM 0 HB3 SER A 85 23.405 14.270 -24.555 1.00 0.00 H new ATOM 0 HG SER A 85 24.548 13.833 -26.524 1.00 0.00 H new ATOM 1387 N SER A 86 22.096 16.289 -27.805 1.00 0.00 N ATOM 1388 CA SER A 86 22.134 17.165 -28.970 1.00 0.00 C ATOM 1389 C SER A 86 20.881 18.035 -29.036 1.00 0.00 C ATOM 1390 O SER A 86 20.964 19.263 -29.036 1.00 0.00 O ATOM 1391 CB SER A 86 22.263 16.341 -30.252 1.00 0.00 C ATOM 1392 OG SER A 86 21.218 15.389 -30.354 1.00 0.00 O ATOM 0 H SER A 86 22.029 15.296 -28.026 1.00 0.00 H new ATOM 0 HA SER A 86 23.004 17.815 -28.876 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.241 17.003 -31.117 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.226 15.831 -30.265 1.00 0.00 H new ATOM 0 HG SER A 86 21.322 14.876 -31.183 1.00 0.00 H new ATOM 1398 N GLY A 87 19.721 17.388 -29.092 1.00 0.00 N ATOM 1399 CA GLY A 87 18.467 18.116 -29.157 1.00 0.00 C ATOM 1400 C GLY A 87 17.606 17.900 -27.929 1.00 0.00 C ATOM 1401 O GLY A 87 16.395 18.118 -27.966 1.00 0.00 O ATOM 0 H GLY A 87 19.627 16.372 -29.094 1.00 0.00 H new ATOM 0 HA2 GLY A 87 18.674 19.180 -29.269 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.915 17.804 -30.043 1.00 0.00 H new TER 1405 GLY A 87