USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 743 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 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 15 THR OG1 : rot -160:sc= 0.0528 USER MOD Set 2.2: A 19 MET CE :methyl 162:sc= -0.271 (180deg=-0.844) USER MOD Set 2.3: A 53 GLN : amide:sc= 0 K(o=-0.22,f=-2.8) USER MOD Set 2.4: A 89 SER OG : rot -9:sc= 0.00233 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.555 USER MOD Single : A 3 SER OG : rot 180:sc= -0.465 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= 0.596 F(o=-0.71,f=0.6) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.056) USER MOD Single : A 14 THR OG1 : rot 27:sc= 0.542 USER MOD Single : A 16 SER OG : rot 180:sc= 0.034 USER MOD Single : A 21 THR OG1 : rot 93:sc= 1.11 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 32:sc= -1.08 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.051 USER MOD Single : A 47 THR OG1 : rot -94:sc= 0.0844 USER MOD Single : A 51 SER OG : rot 180:sc= 0.109 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.57) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0.077) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.5!) USER MOD Single : A 75 TYR OH : rot 50:sc= -0.0499 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -116:sc= 1.09 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -154:sc= 0.0332 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.310 -39.079 7.026 1.00 0.00 N ATOM 2 CA GLY A 1 12.369 -39.050 5.979 1.00 0.00 C ATOM 3 C GLY A 1 13.500 -38.101 6.323 1.00 0.00 C ATOM 4 O GLY A 1 13.355 -36.884 6.204 1.00 0.00 O ATOM 0 H1 GLY A 1 10.560 -39.742 6.743 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.723 -39.388 7.929 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.906 -38.127 7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.770 -40.055 5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.927 -38.754 5.028 1.00 0.00 H new ATOM 10 N SER A 2 14.628 -38.658 6.750 1.00 0.00 N ATOM 11 CA SER A 2 15.788 -37.852 7.112 1.00 0.00 C ATOM 12 C SER A 2 17.070 -38.674 7.023 1.00 0.00 C ATOM 13 O SER A 2 17.251 -39.642 7.763 1.00 0.00 O ATOM 14 CB SER A 2 15.626 -37.290 8.525 1.00 0.00 C ATOM 15 OG SER A 2 14.909 -36.068 8.510 1.00 0.00 O ATOM 0 H SER A 2 14.764 -39.664 6.854 1.00 0.00 H new ATOM 0 HA SER A 2 15.858 -37.024 6.406 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.103 -38.014 9.150 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.608 -37.133 8.972 1.00 0.00 H new ATOM 0 HG SER A 2 14.266 -36.075 7.770 1.00 0.00 H new ATOM 21 N SER A 3 17.958 -38.282 6.115 1.00 0.00 N ATOM 22 CA SER A 3 19.223 -38.983 5.929 1.00 0.00 C ATOM 23 C SER A 3 20.396 -38.008 5.965 1.00 0.00 C ATOM 24 O SER A 3 20.204 -36.793 5.977 1.00 0.00 O ATOM 25 CB SER A 3 19.219 -39.745 4.603 1.00 0.00 C ATOM 26 OG SER A 3 20.502 -40.271 4.313 1.00 0.00 O ATOM 0 H SER A 3 17.825 -37.482 5.496 1.00 0.00 H new ATOM 0 HA SER A 3 19.339 -39.694 6.747 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.492 -40.556 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.905 -39.080 3.799 1.00 0.00 H new ATOM 0 HG SER A 3 20.472 -40.755 3.461 1.00 0.00 H new ATOM 32 N GLY A 4 21.609 -38.550 5.982 1.00 0.00 N ATOM 33 CA GLY A 4 22.795 -37.714 6.016 1.00 0.00 C ATOM 34 C GLY A 4 22.961 -36.997 7.342 1.00 0.00 C ATOM 35 O GLY A 4 22.037 -36.958 8.154 1.00 0.00 O ATOM 0 H GLY A 4 21.792 -39.553 5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.675 -38.329 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.741 -36.979 5.213 1.00 0.00 H new ATOM 39 N SER A 5 24.143 -36.430 7.560 1.00 0.00 N ATOM 40 CA SER A 5 24.428 -35.712 8.798 1.00 0.00 C ATOM 41 C SER A 5 24.415 -34.204 8.567 1.00 0.00 C ATOM 42 O SER A 5 24.061 -33.433 9.458 1.00 0.00 O ATOM 43 CB SER A 5 25.785 -36.141 9.360 1.00 0.00 C ATOM 44 OG SER A 5 26.697 -36.443 8.317 1.00 0.00 O ATOM 0 H SER A 5 24.918 -36.453 6.897 1.00 0.00 H new ATOM 0 HA SER A 5 23.649 -35.958 9.519 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.192 -35.345 9.984 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.658 -37.014 10.000 1.00 0.00 H new ATOM 0 HG SER A 5 27.557 -36.713 8.702 1.00 0.00 H new ATOM 50 N SER A 6 24.803 -33.792 7.364 1.00 0.00 N ATOM 51 CA SER A 6 24.835 -32.376 7.015 1.00 0.00 C ATOM 52 C SER A 6 23.633 -32.000 6.155 1.00 0.00 C ATOM 53 O SER A 6 23.433 -32.554 5.074 1.00 0.00 O ATOM 54 CB SER A 6 26.132 -32.042 6.275 1.00 0.00 C ATOM 55 OG SER A 6 27.250 -32.127 7.141 1.00 0.00 O ATOM 0 H SER A 6 25.099 -34.418 6.615 1.00 0.00 H new ATOM 0 HA SER A 6 24.792 -31.798 7.938 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.264 -32.728 5.438 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.067 -31.037 5.857 1.00 0.00 H new ATOM 0 HG SER A 6 28.066 -31.911 6.644 1.00 0.00 H new ATOM 61 N GLY A 7 22.838 -31.053 6.642 1.00 0.00 N ATOM 62 CA GLY A 7 21.665 -30.618 5.906 1.00 0.00 C ATOM 63 C GLY A 7 21.303 -29.174 6.193 1.00 0.00 C ATOM 64 O GLY A 7 22.086 -28.439 6.795 1.00 0.00 O ATOM 0 H GLY A 7 22.985 -30.579 7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.845 -30.739 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.821 -31.259 6.162 1.00 0.00 H new ATOM 68 N LEU A 8 20.114 -28.767 5.762 1.00 0.00 N ATOM 69 CA LEU A 8 19.652 -27.401 5.976 1.00 0.00 C ATOM 70 C LEU A 8 18.903 -27.283 7.304 1.00 0.00 C ATOM 71 O LEU A 8 18.088 -28.142 7.642 1.00 0.00 O ATOM 72 CB LEU A 8 18.747 -26.961 4.823 1.00 0.00 C ATOM 73 CG LEU A 8 19.396 -26.003 3.820 1.00 0.00 C ATOM 74 CD1 LEU A 8 19.018 -26.380 2.395 1.00 0.00 C ATOM 75 CD2 LEU A 8 18.992 -24.567 4.117 1.00 0.00 C ATOM 0 H LEU A 8 19.454 -29.363 5.263 1.00 0.00 H new ATOM 0 HA LEU A 8 20.524 -26.748 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.408 -27.848 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 8 17.861 -26.482 5.239 1.00 0.00 H new ATOM 0 HG LEU A 8 20.478 -26.085 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.489 -25.687 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 8 19.358 -27.394 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.935 -26.329 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 8 19.462 -23.900 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.908 -24.472 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.315 -24.299 5.123 1.00 0.00 H new ATOM 87 N PRO A 9 19.170 -26.215 8.080 1.00 0.00 N ATOM 88 CA PRO A 9 18.513 -25.999 9.374 1.00 0.00 C ATOM 89 C PRO A 9 16.992 -26.046 9.265 1.00 0.00 C ATOM 90 O PRO A 9 16.443 -26.243 8.182 1.00 0.00 O ATOM 91 CB PRO A 9 18.975 -24.598 9.780 1.00 0.00 C ATOM 92 CG PRO A 9 20.262 -24.397 9.060 1.00 0.00 C ATOM 93 CD PRO A 9 20.126 -25.140 7.760 1.00 0.00 C ATOM 0 HA PRO A 9 18.772 -26.773 10.096 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.242 -23.843 9.497 1.00 0.00 H new ATOM 0 HB3 PRO A 9 19.110 -24.523 10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 9 20.452 -23.338 8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 9 21.100 -24.780 9.643 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.753 -24.494 6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 9 21.083 -25.540 7.424 1.00 0.00 H new ATOM 101 N ASN A 10 16.318 -25.864 10.396 1.00 0.00 N ATOM 102 CA ASN A 10 14.860 -25.884 10.429 1.00 0.00 C ATOM 103 C ASN A 10 14.313 -24.614 11.072 1.00 0.00 C ATOM 104 O ASN A 10 13.689 -24.659 12.132 1.00 0.00 O ATOM 105 CB ASN A 10 14.365 -27.114 11.194 1.00 0.00 C ATOM 106 CG ASN A 10 15.025 -27.256 12.551 1.00 0.00 C ATOM 107 OD1 ASN A 10 15.978 -28.175 12.653 1.00 0.00 O flip ATOM 108 ND2 ASN A 10 14.684 -26.547 13.498 1.00 0.00 N flip ATOM 0 H ASN A 10 16.758 -25.701 11.302 1.00 0.00 H new ATOM 0 HA ASN A 10 14.497 -25.933 9.402 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.285 -27.047 11.324 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.560 -28.009 10.603 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.947 -25.853 13.376 1.00 0.00 H new ATOM 0 HD22 ASN A 10 15.139 -26.654 14.405 1.00 0.00 H new ATOM 115 N SER A 11 14.551 -23.479 10.421 1.00 0.00 N ATOM 116 CA SER A 11 14.083 -22.193 10.926 1.00 0.00 C ATOM 117 C SER A 11 13.260 -21.461 9.872 1.00 0.00 C ATOM 118 O SER A 11 13.037 -21.975 8.776 1.00 0.00 O ATOM 119 CB SER A 11 15.268 -21.329 11.357 1.00 0.00 C ATOM 120 OG SER A 11 16.331 -21.419 10.424 1.00 0.00 O ATOM 0 H SER A 11 15.066 -23.424 9.542 1.00 0.00 H new ATOM 0 HA SER A 11 13.446 -22.380 11.791 1.00 0.00 H new ATOM 0 HB2 SER A 11 14.950 -20.291 11.451 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.615 -21.647 12.340 1.00 0.00 H new ATOM 0 HG SER A 11 17.076 -20.856 10.722 1.00 0.00 H new ATOM 126 N ASP A 12 12.810 -20.257 10.211 1.00 0.00 N ATOM 127 CA ASP A 12 12.011 -19.454 9.292 1.00 0.00 C ATOM 128 C ASP A 12 12.850 -18.342 8.669 1.00 0.00 C ATOM 129 O ASP A 12 14.028 -18.186 8.991 1.00 0.00 O ATOM 130 CB ASP A 12 10.808 -18.853 10.021 1.00 0.00 C ATOM 131 CG ASP A 12 9.831 -19.911 10.493 1.00 0.00 C ATOM 132 OD1 ASP A 12 9.810 -21.009 9.897 1.00 0.00 O ATOM 133 OD2 ASP A 12 9.086 -19.644 11.460 1.00 0.00 O ATOM 0 H ASP A 12 12.985 -19.816 11.114 1.00 0.00 H new ATOM 0 HA ASP A 12 11.656 -20.106 8.494 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.157 -18.276 10.878 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.294 -18.158 9.357 1.00 0.00 H new ATOM 138 N HIS A 13 12.235 -17.572 7.779 1.00 0.00 N ATOM 139 CA HIS A 13 12.924 -16.474 7.111 1.00 0.00 C ATOM 140 C HIS A 13 11.934 -15.410 6.649 1.00 0.00 C ATOM 141 O HIS A 13 11.335 -15.529 5.581 1.00 0.00 O ATOM 142 CB HIS A 13 13.723 -16.998 5.916 1.00 0.00 C ATOM 143 CG HIS A 13 14.889 -16.134 5.551 1.00 0.00 C ATOM 144 ND1 HIS A 13 15.655 -16.315 4.420 1.00 0.00 N ATOM 145 CD2 HIS A 13 15.418 -15.061 6.194 1.00 0.00 C ATOM 146 CE1 HIS A 13 16.604 -15.369 4.412 1.00 0.00 C ATOM 147 NE2 HIS A 13 16.505 -14.582 5.466 1.00 0.00 N ATOM 0 H HIS A 13 11.260 -17.688 7.503 1.00 0.00 H new ATOM 0 HA HIS A 13 13.609 -16.019 7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.082 -18.002 6.142 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.060 -17.082 5.055 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.054 -14.645 7.122 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.354 -15.264 3.642 1.00 0.00 H new ATOM 0 HE2 HIS A 13 17.101 -13.788 5.700 1.00 0.00 H new ATOM 155 N THR A 14 11.766 -14.372 7.462 1.00 0.00 N ATOM 156 CA THR A 14 10.848 -13.288 7.138 1.00 0.00 C ATOM 157 C THR A 14 11.285 -12.568 5.866 1.00 0.00 C ATOM 158 O THR A 14 12.411 -12.080 5.772 1.00 0.00 O ATOM 159 CB THR A 14 10.768 -12.294 8.298 1.00 0.00 C ATOM 160 OG1 THR A 14 12.020 -11.664 8.505 1.00 0.00 O ATOM 161 CG2 THR A 14 10.354 -12.935 9.606 1.00 0.00 C ATOM 0 H THR A 14 12.254 -14.259 8.350 1.00 0.00 H new ATOM 0 HA THR A 14 9.861 -13.719 6.970 1.00 0.00 H new ATOM 0 HB THR A 14 10.006 -11.571 8.009 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.523 -11.652 7.664 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.317 -12.176 10.387 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.369 -13.389 9.493 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.078 -13.703 9.880 1.00 0.00 H new ATOM 169 N THR A 15 10.385 -12.505 4.889 1.00 0.00 N ATOM 170 CA THR A 15 10.678 -11.845 3.623 1.00 0.00 C ATOM 171 C THR A 15 10.306 -10.366 3.681 1.00 0.00 C ATOM 172 O THR A 15 11.063 -9.507 3.231 1.00 0.00 O ATOM 173 CB THR A 15 9.922 -12.528 2.481 1.00 0.00 C ATOM 174 OG1 THR A 15 8.670 -13.015 2.930 1.00 0.00 O ATOM 175 CG2 THR A 15 10.678 -13.691 1.876 1.00 0.00 C ATOM 0 H THR A 15 9.448 -12.903 4.951 1.00 0.00 H new ATOM 0 HA THR A 15 11.750 -11.925 3.440 1.00 0.00 H new ATOM 0 HB THR A 15 9.796 -11.761 1.717 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.346 -13.703 2.312 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.087 -14.131 1.073 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.629 -13.338 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.864 -14.443 2.643 1.00 0.00 H new ATOM 183 N SER A 16 9.135 -10.078 4.240 1.00 0.00 N ATOM 184 CA SER A 16 8.663 -8.703 4.359 1.00 0.00 C ATOM 185 C SER A 16 9.485 -7.932 5.385 1.00 0.00 C ATOM 186 O SER A 16 9.949 -6.824 5.118 1.00 0.00 O ATOM 187 CB SER A 16 7.185 -8.683 4.754 1.00 0.00 C ATOM 188 OG SER A 16 6.884 -9.727 5.662 1.00 0.00 O ATOM 0 H SER A 16 8.496 -10.778 4.617 1.00 0.00 H new ATOM 0 HA SER A 16 8.781 -8.219 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.940 -7.722 5.206 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.566 -8.783 3.862 1.00 0.00 H new ATOM 0 HG SER A 16 5.934 -9.690 5.899 1.00 0.00 H new ATOM 194 N ARG A 17 9.661 -8.526 6.562 1.00 0.00 N ATOM 195 CA ARG A 17 10.429 -7.896 7.629 1.00 0.00 C ATOM 196 C ARG A 17 11.871 -7.646 7.196 1.00 0.00 C ATOM 197 O ARG A 17 12.552 -6.778 7.744 1.00 0.00 O ATOM 198 CB ARG A 17 10.403 -8.769 8.886 1.00 0.00 C ATOM 199 CG ARG A 17 9.805 -8.073 10.099 1.00 0.00 C ATOM 200 CD ARG A 17 10.817 -7.162 10.776 1.00 0.00 C ATOM 201 NE ARG A 17 11.238 -7.682 12.076 1.00 0.00 N ATOM 202 CZ ARG A 17 10.514 -7.573 13.188 1.00 0.00 C ATOM 203 NH1 ARG A 17 9.337 -6.962 13.163 1.00 0.00 N ATOM 204 NH2 ARG A 17 10.970 -8.075 14.327 1.00 0.00 N ATOM 0 H ARG A 17 9.282 -9.443 6.800 1.00 0.00 H new ATOM 0 HA ARG A 17 9.969 -6.933 7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.831 -9.674 8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.420 -9.082 9.122 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.937 -7.490 9.793 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.453 -8.820 10.811 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.689 -7.047 10.132 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.383 -6.171 10.905 1.00 0.00 H new ATOM 0 HE ARG A 17 12.139 -8.156 12.134 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.983 -6.573 12.289 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.786 -6.881 14.018 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.875 -8.545 14.351 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.416 -7.992 15.179 1.00 0.00 H new ATOM 218 N ALA A 18 12.334 -8.411 6.210 1.00 0.00 N ATOM 219 CA ALA A 18 13.695 -8.269 5.709 1.00 0.00 C ATOM 220 C ALA A 18 13.736 -7.393 4.461 1.00 0.00 C ATOM 221 O ALA A 18 14.575 -7.588 3.581 1.00 0.00 O ATOM 222 CB ALA A 18 14.294 -9.637 5.416 1.00 0.00 C ATOM 0 H ALA A 18 11.786 -9.134 5.744 1.00 0.00 H new ATOM 0 HA ALA A 18 14.289 -7.780 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.311 -9.517 5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.311 -10.230 6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.689 -10.146 4.665 1.00 0.00 H new ATOM 228 N MET A 19 12.824 -6.429 4.389 1.00 0.00 N ATOM 229 CA MET A 19 12.758 -5.524 3.247 1.00 0.00 C ATOM 230 C MET A 19 12.819 -4.069 3.703 1.00 0.00 C ATOM 231 O MET A 19 13.533 -3.254 3.118 1.00 0.00 O ATOM 232 CB MET A 19 11.475 -5.767 2.450 1.00 0.00 C ATOM 233 CG MET A 19 11.616 -6.841 1.384 1.00 0.00 C ATOM 234 SD MET A 19 10.616 -6.503 -0.078 1.00 0.00 S ATOM 235 CE MET A 19 9.673 -8.021 -0.201 1.00 0.00 C ATOM 0 H MET A 19 12.121 -6.254 5.107 1.00 0.00 H new ATOM 0 HA MET A 19 13.618 -5.723 2.607 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.678 -6.051 3.137 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.169 -4.834 1.976 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.663 -6.923 1.092 1.00 0.00 H new ATOM 0 HG3 MET A 19 11.326 -7.804 1.803 1.00 0.00 H new ATOM 0 HE1 MET A 19 8.802 -7.858 -0.836 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.297 -8.803 -0.634 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.345 -8.327 0.792 1.00 0.00 H new ATOM 245 N LEU A 20 12.066 -3.751 4.751 1.00 0.00 N ATOM 246 CA LEU A 20 12.037 -2.395 5.287 1.00 0.00 C ATOM 247 C LEU A 20 13.298 -2.101 6.091 1.00 0.00 C ATOM 248 O LEU A 20 13.772 -0.965 6.130 1.00 0.00 O ATOM 249 CB LEU A 20 10.800 -2.198 6.166 1.00 0.00 C ATOM 250 CG LEU A 20 9.461 -2.346 5.444 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.352 -2.665 6.435 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.133 -1.081 4.664 1.00 0.00 C ATOM 0 H LEU A 20 11.468 -4.413 5.246 1.00 0.00 H new ATOM 0 HA LEU A 20 11.993 -1.700 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.836 -2.918 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.846 -1.205 6.614 1.00 0.00 H new ATOM 0 HG LEU A 20 9.540 -3.174 4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.406 -2.767 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.581 -3.598 6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.273 -1.859 7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.176 -1.204 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.074 -0.236 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.914 -0.896 3.926 1.00 0.00 H new ATOM 264 N THR A 21 13.839 -3.133 6.731 1.00 0.00 N ATOM 265 CA THR A 21 15.047 -2.986 7.535 1.00 0.00 C ATOM 266 C THR A 21 16.252 -2.673 6.653 1.00 0.00 C ATOM 267 O THR A 21 17.076 -1.823 6.989 1.00 0.00 O ATOM 268 CB THR A 21 15.307 -4.260 8.339 1.00 0.00 C ATOM 269 OG1 THR A 21 14.091 -4.926 8.631 1.00 0.00 O ATOM 270 CG2 THR A 21 16.018 -4.005 9.651 1.00 0.00 C ATOM 0 H THR A 21 13.460 -4.080 6.708 1.00 0.00 H new ATOM 0 HA THR A 21 14.897 -2.154 8.223 1.00 0.00 H new ATOM 0 HB THR A 21 15.951 -4.873 7.709 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.908 -5.593 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.171 -4.950 10.171 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.983 -3.537 9.457 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.412 -3.344 10.271 1.00 0.00 H new ATOM 278 N SER A 22 16.347 -3.366 5.523 1.00 0.00 N ATOM 279 CA SER A 22 17.451 -3.162 4.592 1.00 0.00 C ATOM 280 C SER A 22 17.392 -1.769 3.974 1.00 0.00 C ATOM 281 O SER A 22 18.333 -0.986 4.094 1.00 0.00 O ATOM 282 CB SER A 22 17.419 -4.223 3.490 1.00 0.00 C ATOM 283 OG SER A 22 18.214 -5.343 3.836 1.00 0.00 O ATOM 0 H SER A 22 15.673 -4.073 5.230 1.00 0.00 H new ATOM 0 HA SER A 22 18.384 -3.254 5.148 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.391 -4.542 3.318 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.779 -3.792 2.556 1.00 0.00 H new ATOM 0 HG SER A 22 18.175 -6.007 3.116 1.00 0.00 H new ATOM 289 N LEU A 23 16.279 -1.467 3.314 1.00 0.00 N ATOM 290 CA LEU A 23 16.096 -0.168 2.677 1.00 0.00 C ATOM 291 C LEU A 23 16.007 0.942 3.721 1.00 0.00 C ATOM 292 O LEU A 23 16.413 2.076 3.471 1.00 0.00 O ATOM 293 CB LEU A 23 14.835 -0.174 1.811 1.00 0.00 C ATOM 294 CG LEU A 23 14.767 -1.296 0.775 1.00 0.00 C ATOM 295 CD1 LEU A 23 13.397 -1.331 0.115 1.00 0.00 C ATOM 296 CD2 LEU A 23 15.860 -1.123 -0.269 1.00 0.00 C ATOM 0 H LEU A 23 15.490 -2.104 3.206 1.00 0.00 H new ATOM 0 HA LEU A 23 16.962 0.023 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.965 -0.249 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.764 0.783 1.293 1.00 0.00 H new ATOM 0 HG LEU A 23 14.926 -2.246 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.367 -2.136 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.632 -1.503 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.208 -0.379 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.797 -1.930 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.732 -0.166 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.835 -1.149 0.217 1.00 0.00 H new ATOM 308 N GLY A 24 15.472 0.605 4.890 1.00 0.00 N ATOM 309 CA GLY A 24 15.340 1.583 5.953 1.00 0.00 C ATOM 310 C GLY A 24 14.000 2.293 5.927 1.00 0.00 C ATOM 311 O GLY A 24 13.941 3.522 5.916 1.00 0.00 O ATOM 0 H GLY A 24 15.128 -0.327 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.466 1.088 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.139 2.319 5.866 1.00 0.00 H new ATOM 315 N LEU A 25 12.922 1.516 5.917 1.00 0.00 N ATOM 316 CA LEU A 25 11.576 2.077 5.892 1.00 0.00 C ATOM 317 C LEU A 25 10.731 1.515 7.030 1.00 0.00 C ATOM 318 O LEU A 25 11.186 0.661 7.791 1.00 0.00 O ATOM 319 CB LEU A 25 10.903 1.785 4.549 1.00 0.00 C ATOM 320 CG LEU A 25 11.370 2.662 3.386 1.00 0.00 C ATOM 321 CD1 LEU A 25 10.989 2.032 2.056 1.00 0.00 C ATOM 322 CD2 LEU A 25 10.782 4.059 3.504 1.00 0.00 C ATOM 0 H LEU A 25 12.954 0.497 5.926 1.00 0.00 H new ATOM 0 HA LEU A 25 11.657 3.156 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.080 0.741 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.826 1.906 4.666 1.00 0.00 H new ATOM 0 HG LEU A 25 12.456 2.741 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.329 2.670 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.458 1.052 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.906 1.922 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.124 4.670 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.694 3.998 3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.106 4.512 4.441 1.00 0.00 H new ATOM 334 N LYS A 26 9.499 2.000 7.142 1.00 0.00 N ATOM 335 CA LYS A 26 8.590 1.546 8.187 1.00 0.00 C ATOM 336 C LYS A 26 7.221 2.202 8.038 1.00 0.00 C ATOM 337 O LYS A 26 6.936 2.845 7.027 1.00 0.00 O ATOM 338 CB LYS A 26 9.173 1.852 9.570 1.00 0.00 C ATOM 339 CG LYS A 26 9.548 0.609 10.359 1.00 0.00 C ATOM 340 CD LYS A 26 9.865 0.944 11.808 1.00 0.00 C ATOM 341 CE LYS A 26 9.933 -0.309 12.667 1.00 0.00 C ATOM 342 NZ LYS A 26 10.727 -0.089 13.908 1.00 0.00 N ATOM 0 H LYS A 26 9.107 2.708 6.521 1.00 0.00 H new ATOM 0 HA LYS A 26 8.468 0.468 8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.057 2.478 9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.447 2.430 10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.728 -0.108 10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.412 0.131 9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.816 1.474 11.860 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.103 1.616 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.923 -0.622 12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.377 -1.121 12.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.749 -0.966 14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.698 0.185 13.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.289 0.668 14.471 1.00 0.00 H new ATOM 356 N LEU A 27 6.377 2.038 9.051 1.00 0.00 N ATOM 357 CA LEU A 27 5.038 2.616 9.032 1.00 0.00 C ATOM 358 C LEU A 27 5.081 4.098 9.382 1.00 0.00 C ATOM 359 O LEU A 27 5.073 4.471 10.556 1.00 0.00 O ATOM 360 CB LEU A 27 4.127 1.873 10.011 1.00 0.00 C ATOM 361 CG LEU A 27 3.897 0.396 9.688 1.00 0.00 C ATOM 362 CD1 LEU A 27 3.365 -0.340 10.908 1.00 0.00 C ATOM 363 CD2 LEU A 27 2.940 0.250 8.516 1.00 0.00 C ATOM 0 H LEU A 27 6.596 1.510 9.895 1.00 0.00 H new ATOM 0 HA LEU A 27 4.637 2.512 8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.555 1.948 11.011 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.161 2.378 10.039 1.00 0.00 H new ATOM 0 HG LEU A 27 4.852 -0.049 9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.207 -1.390 10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.086 -0.264 11.722 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.420 0.105 11.218 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.788 -0.808 8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.984 0.710 8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.361 0.742 7.639 1.00 0.00 H new ATOM 375 N GLY A 28 5.125 4.943 8.357 1.00 0.00 N ATOM 376 CA GLY A 28 5.169 6.377 8.577 1.00 0.00 C ATOM 377 C GLY A 28 6.120 7.081 7.630 1.00 0.00 C ATOM 378 O GLY A 28 5.925 8.250 7.301 1.00 0.00 O ATOM 0 H GLY A 28 5.131 4.660 7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.168 6.791 8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.473 6.574 9.605 1.00 0.00 H new ATOM 382 N ASP A 29 7.152 6.367 7.192 1.00 0.00 N ATOM 383 CA ASP A 29 8.137 6.931 6.276 1.00 0.00 C ATOM 384 C ASP A 29 7.563 7.051 4.867 1.00 0.00 C ATOM 385 O ASP A 29 6.605 6.363 4.515 1.00 0.00 O ATOM 386 CB ASP A 29 9.397 6.066 6.254 1.00 0.00 C ATOM 387 CG ASP A 29 10.023 5.921 7.627 1.00 0.00 C ATOM 388 OD1 ASP A 29 10.748 6.847 8.050 1.00 0.00 O ATOM 389 OD2 ASP A 29 9.788 4.884 8.280 1.00 0.00 O ATOM 0 H ASP A 29 7.328 5.398 7.456 1.00 0.00 H new ATOM 0 HA ASP A 29 8.396 7.929 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.150 5.079 5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.124 6.505 5.571 1.00 0.00 H new ATOM 394 N ARG A 30 8.157 7.930 4.065 1.00 0.00 N ATOM 395 CA ARG A 30 7.705 8.139 2.694 1.00 0.00 C ATOM 396 C ARG A 30 8.352 7.134 1.748 1.00 0.00 C ATOM 397 O ARG A 30 9.553 6.875 1.828 1.00 0.00 O ATOM 398 CB ARG A 30 8.028 9.565 2.241 1.00 0.00 C ATOM 399 CG ARG A 30 7.066 10.608 2.785 1.00 0.00 C ATOM 400 CD ARG A 30 5.944 10.899 1.802 1.00 0.00 C ATOM 401 NE ARG A 30 6.425 11.602 0.615 1.00 0.00 N ATOM 402 CZ ARG A 30 6.829 12.870 0.617 1.00 0.00 C ATOM 403 NH1 ARG A 30 6.817 13.576 1.741 1.00 0.00 N ATOM 404 NH2 ARG A 30 7.250 13.434 -0.508 1.00 0.00 N ATOM 0 H ARG A 30 8.951 8.508 4.341 1.00 0.00 H new ATOM 0 HA ARG A 30 6.625 7.992 2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.041 9.817 2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.015 9.603 1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.644 10.258 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.609 11.528 3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.472 9.963 1.503 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.178 11.499 2.293 1.00 0.00 H new ATOM 0 HE ARG A 30 6.453 11.091 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.497 13.147 2.609 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.128 14.547 1.736 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.264 12.896 -1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.560 14.406 -0.506 1.00 0.00 H new ATOM 418 N VAL A 31 7.548 6.570 0.852 1.00 0.00 N ATOM 419 CA VAL A 31 8.042 5.592 -0.110 1.00 0.00 C ATOM 420 C VAL A 31 7.724 6.019 -1.539 1.00 0.00 C ATOM 421 O VAL A 31 7.123 7.069 -1.765 1.00 0.00 O ATOM 422 CB VAL A 31 7.437 4.199 0.144 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.937 3.631 1.463 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.917 4.266 0.125 1.00 0.00 C ATOM 0 H VAL A 31 6.552 6.774 0.772 1.00 0.00 H new ATOM 0 HA VAL A 31 9.123 5.539 0.019 1.00 0.00 H new ATOM 0 HB VAL A 31 7.758 3.532 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.498 2.646 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.023 3.544 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.648 4.295 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.507 3.273 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.573 4.948 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.581 4.626 -0.848 1.00 0.00 H new ATOM 434 N VAL A 32 8.132 5.197 -2.500 1.00 0.00 N ATOM 435 CA VAL A 32 7.891 5.489 -3.909 1.00 0.00 C ATOM 436 C VAL A 32 7.649 4.207 -4.701 1.00 0.00 C ATOM 437 O VAL A 32 8.517 3.337 -4.772 1.00 0.00 O ATOM 438 CB VAL A 32 9.074 6.258 -4.533 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.346 5.425 -4.475 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.755 6.660 -5.966 1.00 0.00 C ATOM 0 H VAL A 32 8.631 4.324 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 32 6.999 6.114 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 32 9.237 7.167 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.168 5.985 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.584 5.195 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.199 4.497 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.601 7.201 -6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.562 5.767 -6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.873 7.300 -5.976 1.00 0.00 H new ATOM 450 N ILE A 33 6.466 4.100 -5.295 1.00 0.00 N ATOM 451 CA ILE A 33 6.110 2.924 -6.082 1.00 0.00 C ATOM 452 C ILE A 33 6.825 2.929 -7.429 1.00 0.00 C ATOM 453 O ILE A 33 6.571 3.787 -8.275 1.00 0.00 O ATOM 454 CB ILE A 33 4.590 2.845 -6.320 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.833 3.020 -5.003 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.224 1.521 -6.974 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.388 3.426 -5.185 1.00 0.00 C ATOM 0 H ILE A 33 5.737 4.812 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 33 6.425 2.052 -5.509 1.00 0.00 H new ATOM 0 HB ILE A 33 4.302 3.653 -6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.871 2.085 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.340 3.773 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.147 1.480 -7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.738 1.434 -7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.525 0.699 -6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.914 3.532 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.341 4.377 -5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.865 2.663 -5.761 1.00 0.00 H new ATOM 469 N ALA A 34 7.720 1.966 -7.621 1.00 0.00 N ATOM 470 CA ALA A 34 8.472 1.858 -8.866 1.00 0.00 C ATOM 471 C ALA A 34 9.277 3.125 -9.133 1.00 0.00 C ATOM 472 O ALA A 34 9.541 3.474 -10.283 1.00 0.00 O ATOM 473 CB ALA A 34 7.532 1.574 -10.028 1.00 0.00 C ATOM 0 H ALA A 34 7.942 1.249 -6.930 1.00 0.00 H new ATOM 0 HA ALA A 34 9.172 1.028 -8.767 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.107 1.496 -10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.005 0.637 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.810 2.385 -10.118 1.00 0.00 H new ATOM 479 N GLY A 35 9.667 3.810 -8.061 1.00 0.00 N ATOM 480 CA GLY A 35 10.439 5.031 -8.202 1.00 0.00 C ATOM 481 C GLY A 35 9.733 6.073 -9.045 1.00 0.00 C ATOM 482 O GLY A 35 10.375 6.858 -9.742 1.00 0.00 O ATOM 0 H GLY A 35 9.462 3.541 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.641 5.445 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.403 4.797 -8.653 1.00 0.00 H new ATOM 486 N GLN A 36 8.405 6.080 -8.984 1.00 0.00 N ATOM 487 CA GLN A 36 7.610 7.033 -9.749 1.00 0.00 C ATOM 488 C GLN A 36 6.570 7.710 -8.864 1.00 0.00 C ATOM 489 O GLN A 36 6.689 8.892 -8.541 1.00 0.00 O ATOM 490 CB GLN A 36 6.920 6.329 -10.919 1.00 0.00 C ATOM 491 CG GLN A 36 7.814 6.151 -12.135 1.00 0.00 C ATOM 492 CD GLN A 36 7.027 5.871 -13.401 1.00 0.00 C ATOM 493 OE1 GLN A 36 7.030 6.671 -14.338 1.00 0.00 O ATOM 494 NE2 GLN A 36 6.347 4.731 -13.435 1.00 0.00 N ATOM 0 H GLN A 36 7.857 5.436 -8.413 1.00 0.00 H new ATOM 0 HA GLN A 36 8.282 7.798 -10.138 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.571 5.351 -10.589 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.038 6.901 -11.207 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.413 7.050 -12.276 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.508 5.330 -11.954 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.373 4.098 -12.636 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.799 4.489 -14.260 1.00 0.00 H new ATOM 503 N LYS A 37 5.550 6.954 -8.472 1.00 0.00 N ATOM 504 CA LYS A 37 4.489 7.482 -7.623 1.00 0.00 C ATOM 505 C LYS A 37 5.013 7.789 -6.223 1.00 0.00 C ATOM 506 O LYS A 37 5.825 7.044 -5.676 1.00 0.00 O ATOM 507 CB LYS A 37 3.331 6.486 -7.539 1.00 0.00 C ATOM 508 CG LYS A 37 2.372 6.570 -8.715 1.00 0.00 C ATOM 509 CD LYS A 37 0.925 6.434 -8.268 1.00 0.00 C ATOM 510 CE LYS A 37 0.114 5.602 -9.250 1.00 0.00 C ATOM 511 NZ LYS A 37 -0.148 6.338 -10.517 1.00 0.00 N ATOM 0 H LYS A 37 5.436 5.973 -8.729 1.00 0.00 H new ATOM 0 HA LYS A 37 4.130 8.410 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.735 5.475 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.778 6.661 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.507 7.522 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.607 5.785 -9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.890 5.971 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.478 7.424 -8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.648 4.678 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.834 5.320 -8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.703 5.737 -11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.680 7.207 -10.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.756 6.585 -10.968 1.00 0.00 H new ATOM 525 N VAL A 38 4.543 8.892 -5.651 1.00 0.00 N ATOM 526 CA VAL A 38 4.963 9.299 -4.316 1.00 0.00 C ATOM 527 C VAL A 38 3.824 9.155 -3.313 1.00 0.00 C ATOM 528 O VAL A 38 2.710 9.622 -3.553 1.00 0.00 O ATOM 529 CB VAL A 38 5.461 10.757 -4.303 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.079 11.099 -2.957 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.455 10.993 -5.430 1.00 0.00 C ATOM 0 H VAL A 38 3.871 9.520 -6.091 1.00 0.00 H new ATOM 0 HA VAL A 38 5.782 8.640 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 38 4.606 11.414 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.425 12.133 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.333 10.974 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.923 10.436 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.795 12.028 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.309 10.327 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.974 10.793 -6.387 1.00 0.00 H new ATOM 541 N GLY A 39 4.110 8.505 -2.190 1.00 0.00 N ATOM 542 CA GLY A 39 3.098 8.312 -1.168 1.00 0.00 C ATOM 543 C GLY A 39 3.690 7.879 0.158 1.00 0.00 C ATOM 544 O GLY A 39 4.855 7.487 0.229 1.00 0.00 O ATOM 0 H GLY A 39 5.024 8.109 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.544 9.240 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.383 7.562 -1.506 1.00 0.00 H new ATOM 548 N THR A 40 2.885 7.948 1.213 1.00 0.00 N ATOM 549 CA THR A 40 3.335 7.560 2.545 1.00 0.00 C ATOM 550 C THR A 40 2.994 6.101 2.831 1.00 0.00 C ATOM 551 O THR A 40 1.834 5.698 2.751 1.00 0.00 O ATOM 552 CB THR A 40 2.699 8.462 3.604 1.00 0.00 C ATOM 553 OG1 THR A 40 2.749 9.819 3.202 1.00 0.00 O ATOM 554 CG2 THR A 40 3.368 8.359 4.958 1.00 0.00 C ATOM 0 H THR A 40 1.918 8.269 1.172 1.00 0.00 H new ATOM 0 HA THR A 40 4.418 7.675 2.583 1.00 0.00 H new ATOM 0 HB THR A 40 1.670 8.116 3.698 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.336 10.380 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.868 9.024 5.662 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.303 7.333 5.319 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.416 8.646 4.869 1.00 0.00 H new ATOM 562 N LEU A 41 4.013 5.314 3.163 1.00 0.00 N ATOM 563 CA LEU A 41 3.822 3.900 3.460 1.00 0.00 C ATOM 564 C LEU A 41 2.864 3.715 4.633 1.00 0.00 C ATOM 565 O LEU A 41 3.135 4.167 5.745 1.00 0.00 O ATOM 566 CB LEU A 41 5.165 3.237 3.773 1.00 0.00 C ATOM 567 CG LEU A 41 5.087 1.748 4.115 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.508 0.962 2.949 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.463 1.216 4.488 1.00 0.00 C ATOM 0 H LEU A 41 4.979 5.633 3.233 1.00 0.00 H new ATOM 0 HA LEU A 41 3.387 3.425 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.824 3.363 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.627 3.763 4.609 1.00 0.00 H new ATOM 0 HG LEU A 41 4.426 1.625 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.460 -0.095 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.505 1.327 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.143 1.090 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.390 0.155 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.145 1.352 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.841 1.759 5.354 1.00 0.00 H new ATOM 581 N ARG A 42 1.745 3.046 4.376 1.00 0.00 N ATOM 582 CA ARG A 42 0.747 2.800 5.411 1.00 0.00 C ATOM 583 C ARG A 42 0.688 1.319 5.770 1.00 0.00 C ATOM 584 O ARG A 42 0.647 0.956 6.946 1.00 0.00 O ATOM 585 CB ARG A 42 -0.629 3.279 4.945 1.00 0.00 C ATOM 586 CG ARG A 42 -0.776 4.792 4.938 1.00 0.00 C ATOM 587 CD ARG A 42 -0.589 5.376 6.329 1.00 0.00 C ATOM 588 NE ARG A 42 -1.506 6.485 6.584 1.00 0.00 N ATOM 589 CZ ARG A 42 -1.319 7.721 6.128 1.00 0.00 C ATOM 590 NH1 ARG A 42 -0.250 8.011 5.395 1.00 0.00 N ATOM 591 NH2 ARG A 42 -2.203 8.670 6.405 1.00 0.00 N ATOM 0 H ARG A 42 1.506 2.665 3.461 1.00 0.00 H new ATOM 0 HA ARG A 42 1.037 3.359 6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.816 2.899 3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.393 2.851 5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.043 5.227 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.762 5.061 4.559 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.747 4.596 7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.439 5.722 6.442 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.338 6.301 7.144 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.433 7.285 5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.112 8.960 5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.026 8.452 6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.060 9.618 6.056 1.00 0.00 H new ATOM 605 N PHE A 43 0.684 0.467 4.749 1.00 0.00 N ATOM 606 CA PHE A 43 0.632 -0.975 4.958 1.00 0.00 C ATOM 607 C PHE A 43 1.726 -1.681 4.164 1.00 0.00 C ATOM 608 O PHE A 43 2.094 -1.246 3.073 1.00 0.00 O ATOM 609 CB PHE A 43 -0.739 -1.519 4.552 1.00 0.00 C ATOM 610 CG PHE A 43 -0.910 -2.985 4.830 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.375 -3.934 3.972 1.00 0.00 C ATOM 612 CD2 PHE A 43 -1.605 -3.416 5.950 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.530 -5.283 4.226 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.763 -4.764 6.208 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.225 -5.699 5.344 1.00 0.00 C ATOM 0 H PHE A 43 0.716 0.751 3.770 1.00 0.00 H new ATOM 0 HA PHE A 43 0.795 -1.169 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.513 -0.964 5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.891 -1.339 3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.169 -3.615 3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.028 -2.690 6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.108 -6.012 3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.306 -5.087 7.084 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.348 -6.753 5.543 1.00 0.00 H new ATOM 625 N CYS A 44 2.243 -2.772 4.721 1.00 0.00 N ATOM 626 CA CYS A 44 3.296 -3.539 4.064 1.00 0.00 C ATOM 627 C CYS A 44 3.106 -5.034 4.297 1.00 0.00 C ATOM 628 O CYS A 44 2.921 -5.478 5.429 1.00 0.00 O ATOM 629 CB CYS A 44 4.670 -3.101 4.577 1.00 0.00 C ATOM 630 SG CYS A 44 4.852 -3.198 6.373 1.00 0.00 S ATOM 0 H CYS A 44 1.950 -3.144 5.624 1.00 0.00 H new ATOM 0 HA CYS A 44 3.237 -3.347 2.993 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.435 -3.722 4.111 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.855 -2.075 4.259 1.00 0.00 H new ATOM 0 HG CYS A 44 4.138 -4.184 6.829 1.00 0.00 H new ATOM 636 N GLY A 45 3.155 -5.806 3.216 1.00 0.00 N ATOM 637 CA GLY A 45 2.988 -7.244 3.323 1.00 0.00 C ATOM 638 C GLY A 45 2.033 -7.795 2.282 1.00 0.00 C ATOM 639 O GLY A 45 1.547 -7.060 1.423 1.00 0.00 O ATOM 0 H GLY A 45 3.307 -5.462 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.958 -7.729 3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.618 -7.491 4.318 1.00 0.00 H new ATOM 643 N THR A 46 1.764 -9.095 2.359 1.00 0.00 N ATOM 644 CA THR A 46 0.861 -9.745 1.415 1.00 0.00 C ATOM 645 C THR A 46 -0.559 -9.212 1.567 1.00 0.00 C ATOM 646 O THR A 46 -0.815 -8.319 2.376 1.00 0.00 O ATOM 647 CB THR A 46 0.874 -11.260 1.627 1.00 0.00 C ATOM 648 OG1 THR A 46 0.996 -11.574 3.003 1.00 0.00 O ATOM 649 CG2 THR A 46 2.001 -11.956 0.894 1.00 0.00 C ATOM 0 H THR A 46 2.158 -9.718 3.064 1.00 0.00 H new ATOM 0 HA THR A 46 1.208 -9.523 0.406 1.00 0.00 H new ATOM 0 HB THR A 46 -0.074 -11.616 1.225 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.001 -12.547 3.117 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.953 -13.028 1.086 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.905 -11.775 -0.177 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.957 -11.567 1.244 1.00 0.00 H new ATOM 657 N THR A 47 -1.480 -9.765 0.785 1.00 0.00 N ATOM 658 CA THR A 47 -2.876 -9.345 0.832 1.00 0.00 C ATOM 659 C THR A 47 -3.810 -10.535 0.640 1.00 0.00 C ATOM 660 O THR A 47 -3.361 -11.673 0.504 1.00 0.00 O ATOM 661 CB THR A 47 -3.148 -8.290 -0.240 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.613 -8.692 -1.487 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.567 -6.932 0.093 1.00 0.00 C ATOM 0 H THR A 47 -1.285 -10.505 0.111 1.00 0.00 H new ATOM 0 HA THR A 47 -3.066 -8.913 1.814 1.00 0.00 H new ATOM 0 HB THR A 47 -4.233 -8.201 -0.286 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.718 -8.308 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.797 -6.231 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.999 -6.570 1.026 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.486 -7.016 0.203 1.00 0.00 H new ATOM 671 N GLU A 48 -5.111 -10.265 0.628 1.00 0.00 N ATOM 672 CA GLU A 48 -6.108 -11.314 0.452 1.00 0.00 C ATOM 673 C GLU A 48 -6.850 -11.146 -0.870 1.00 0.00 C ATOM 674 O GLU A 48 -8.018 -11.514 -0.990 1.00 0.00 O ATOM 675 CB GLU A 48 -7.105 -11.299 1.613 1.00 0.00 C ATOM 676 CG GLU A 48 -6.446 -11.228 2.981 1.00 0.00 C ATOM 677 CD GLU A 48 -6.623 -12.504 3.782 1.00 0.00 C ATOM 678 OE1 GLU A 48 -5.871 -13.470 3.534 1.00 0.00 O ATOM 679 OE2 GLU A 48 -7.514 -12.536 4.656 1.00 0.00 O ATOM 0 H GLU A 48 -5.499 -9.328 0.738 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.589 -12.273 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.773 -10.446 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.722 -12.196 1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.382 -11.026 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.866 -10.392 3.540 1.00 0.00 H new ATOM 686 N PHE A 49 -6.163 -10.587 -1.863 1.00 0.00 N ATOM 687 CA PHE A 49 -6.757 -10.372 -3.177 1.00 0.00 C ATOM 688 C PHE A 49 -5.742 -10.634 -4.286 1.00 0.00 C ATOM 689 O PHE A 49 -6.044 -11.309 -5.270 1.00 0.00 O ATOM 690 CB PHE A 49 -7.299 -8.945 -3.289 1.00 0.00 C ATOM 691 CG PHE A 49 -6.237 -7.887 -3.194 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.563 -7.458 -4.326 1.00 0.00 C ATOM 693 CD2 PHE A 49 -5.913 -7.320 -1.971 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.586 -6.484 -4.241 1.00 0.00 C ATOM 695 CE2 PHE A 49 -4.938 -6.346 -1.879 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.274 -5.927 -3.017 1.00 0.00 C ATOM 0 H PHE A 49 -5.195 -10.275 -1.782 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.581 -11.076 -3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.822 -8.838 -4.239 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.034 -8.782 -2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.804 -7.890 -5.286 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.429 -7.644 -1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.067 -6.159 -5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.695 -5.913 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.512 -5.165 -2.948 1.00 0.00 H new ATOM 706 N ALA A 50 -4.539 -10.097 -4.120 1.00 0.00 N ATOM 707 CA ALA A 50 -3.480 -10.274 -5.107 1.00 0.00 C ATOM 708 C ALA A 50 -2.361 -11.153 -4.561 1.00 0.00 C ATOM 709 O ALA A 50 -2.109 -11.177 -3.356 1.00 0.00 O ATOM 710 CB ALA A 50 -2.930 -8.923 -5.539 1.00 0.00 C ATOM 0 H ALA A 50 -4.272 -9.535 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.908 -10.775 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.140 -9.070 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.730 -8.328 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.525 -8.401 -4.672 1.00 0.00 H new ATOM 716 N SER A 51 -1.693 -11.876 -5.453 1.00 0.00 N ATOM 717 CA SER A 51 -0.600 -12.757 -5.061 1.00 0.00 C ATOM 718 C SER A 51 0.692 -11.970 -4.867 1.00 0.00 C ATOM 719 O SER A 51 0.893 -10.925 -5.486 1.00 0.00 O ATOM 720 CB SER A 51 -0.392 -13.848 -6.113 1.00 0.00 C ATOM 721 OG SER A 51 -0.797 -13.404 -7.395 1.00 0.00 O ATOM 0 H SER A 51 -1.890 -11.869 -6.454 1.00 0.00 H new ATOM 0 HA SER A 51 -0.867 -13.223 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.659 -14.136 -6.140 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.959 -14.737 -5.837 1.00 0.00 H new ATOM 0 HG SER A 51 -0.652 -14.119 -8.050 1.00 0.00 H new ATOM 727 N GLY A 52 1.565 -12.478 -4.002 1.00 0.00 N ATOM 728 CA GLY A 52 2.826 -11.810 -3.743 1.00 0.00 C ATOM 729 C GLY A 52 2.715 -10.764 -2.650 1.00 0.00 C ATOM 730 O GLY A 52 1.637 -10.549 -2.095 1.00 0.00 O ATOM 0 H GLY A 52 1.421 -13.340 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.574 -12.550 -3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.178 -11.337 -4.660 1.00 0.00 H new ATOM 734 N GLN A 53 3.831 -10.113 -2.339 1.00 0.00 N ATOM 735 CA GLN A 53 3.854 -9.086 -1.306 1.00 0.00 C ATOM 736 C GLN A 53 3.405 -7.739 -1.867 1.00 0.00 C ATOM 737 O GLN A 53 3.664 -7.424 -3.029 1.00 0.00 O ATOM 738 CB GLN A 53 5.259 -8.964 -0.711 1.00 0.00 C ATOM 739 CG GLN A 53 5.399 -9.617 0.656 1.00 0.00 C ATOM 740 CD GLN A 53 6.518 -10.638 0.704 1.00 0.00 C ATOM 741 OE1 GLN A 53 7.636 -10.374 0.259 1.00 0.00 O ATOM 742 NE2 GLN A 53 6.224 -11.813 1.247 1.00 0.00 N ATOM 0 H GLN A 53 4.731 -10.279 -2.788 1.00 0.00 H new ATOM 0 HA GLN A 53 3.159 -9.380 -0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.976 -9.417 -1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.520 -7.909 -0.629 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.583 -8.847 1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.459 -10.101 0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.285 -11.989 1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.937 -12.539 1.308 1.00 0.00 H new ATOM 751 N TRP A 54 2.732 -6.952 -1.036 1.00 0.00 N ATOM 752 CA TRP A 54 2.247 -5.641 -1.450 1.00 0.00 C ATOM 753 C TRP A 54 2.394 -4.625 -0.320 1.00 0.00 C ATOM 754 O TRP A 54 2.828 -4.965 0.780 1.00 0.00 O ATOM 755 CB TRP A 54 0.784 -5.729 -1.885 1.00 0.00 C ATOM 756 CG TRP A 54 0.566 -6.643 -3.051 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.439 -8.002 -3.014 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.450 -6.266 -4.428 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.251 -8.493 -4.283 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.254 -7.447 -5.169 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.492 -5.044 -5.105 1.00 0.00 C ATOM 762 CZ2 TRP A 54 0.101 -7.441 -6.552 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.339 -5.040 -6.480 1.00 0.00 C ATOM 764 CH2 TRP A 54 0.145 -6.231 -7.190 1.00 0.00 C ATOM 0 H TRP A 54 2.510 -7.199 -0.072 1.00 0.00 H new ATOM 0 HA TRP A 54 2.850 -5.308 -2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.182 -6.074 -1.044 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.428 -4.731 -2.143 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.480 -8.603 -2.118 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.129 -9.476 -4.526 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.641 -4.121 -4.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.047 -8.358 -7.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.370 -4.102 -7.015 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.028 -6.194 -8.263 1.00 0.00 H new ATOM 775 N ALA A 55 2.028 -3.379 -0.600 1.00 0.00 N ATOM 776 CA ALA A 55 2.118 -2.315 0.392 1.00 0.00 C ATOM 777 C ALA A 55 1.093 -1.220 0.119 1.00 0.00 C ATOM 778 O ALA A 55 0.985 -0.721 -1.001 1.00 0.00 O ATOM 779 CB ALA A 55 3.523 -1.732 0.413 1.00 0.00 C ATOM 0 H ALA A 55 1.666 -3.081 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 55 1.899 -2.744 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.576 -0.938 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.238 -2.515 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.762 -1.324 -0.569 1.00 0.00 H new ATOM 785 N GLY A 56 0.342 -0.850 1.152 1.00 0.00 N ATOM 786 CA GLY A 56 -0.665 0.184 1.002 1.00 0.00 C ATOM 787 C GLY A 56 -0.104 1.575 1.225 1.00 0.00 C ATOM 788 O GLY A 56 0.367 1.895 2.316 1.00 0.00 O ATOM 0 H GLY A 56 0.413 -1.247 2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.096 0.125 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.475 0.004 1.709 1.00 0.00 H new ATOM 792 N ILE A 57 -0.154 2.404 0.186 1.00 0.00 N ATOM 793 CA ILE A 57 0.354 3.767 0.271 1.00 0.00 C ATOM 794 C ILE A 57 -0.727 4.780 -0.093 1.00 0.00 C ATOM 795 O ILE A 57 -1.527 4.551 -1.000 1.00 0.00 O ATOM 796 CB ILE A 57 1.567 3.974 -0.656 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.583 2.844 -0.467 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.211 5.327 -0.390 1.00 0.00 C ATOM 799 CD1 ILE A 57 2.792 2.006 -1.709 1.00 0.00 C ATOM 0 H ILE A 57 -0.541 2.154 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 57 0.664 3.925 1.304 1.00 0.00 H new ATOM 0 HB ILE A 57 1.223 3.955 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.538 3.272 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.249 2.198 0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.067 5.459 -1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.484 6.118 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.544 5.374 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.524 1.225 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.847 1.549 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.156 2.639 -2.518 1.00 0.00 H new ATOM 811 N GLU A 58 -0.744 5.901 0.621 1.00 0.00 N ATOM 812 CA GLU A 58 -1.727 6.950 0.373 1.00 0.00 C ATOM 813 C GLU A 58 -1.145 8.043 -0.516 1.00 0.00 C ATOM 814 O GLU A 58 -0.368 8.881 -0.058 1.00 0.00 O ATOM 815 CB GLU A 58 -2.205 7.552 1.697 1.00 0.00 C ATOM 816 CG GLU A 58 -3.339 8.551 1.535 1.00 0.00 C ATOM 817 CD GLU A 58 -3.534 9.415 2.766 1.00 0.00 C ATOM 818 OE1 GLU A 58 -2.560 10.073 3.189 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.660 9.435 3.306 1.00 0.00 O ATOM 0 H GLU A 58 -0.089 6.106 1.375 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.577 6.503 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.532 6.747 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.365 8.044 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.136 9.190 0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.264 8.014 1.322 1.00 0.00 H new ATOM 826 N LEU A 59 -1.525 8.027 -1.790 1.00 0.00 N ATOM 827 CA LEU A 59 -1.041 9.018 -2.744 1.00 0.00 C ATOM 828 C LEU A 59 -1.447 10.426 -2.320 1.00 0.00 C ATOM 829 O LEU A 59 -2.565 10.646 -1.854 1.00 0.00 O ATOM 830 CB LEU A 59 -1.583 8.718 -4.142 1.00 0.00 C ATOM 831 CG LEU A 59 -1.228 7.334 -4.691 1.00 0.00 C ATOM 832 CD1 LEU A 59 -2.074 7.012 -5.913 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.252 7.260 -5.029 1.00 0.00 C ATOM 0 H LEU A 59 -2.166 7.339 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 59 0.047 8.964 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.668 8.817 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.206 9.473 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.442 6.592 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.808 6.024 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.129 7.024 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.892 7.757 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.487 6.269 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.491 8.012 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.840 7.446 -4.130 1.00 0.00 H new ATOM 845 N ASP A 60 -0.533 11.377 -2.487 1.00 0.00 N ATOM 846 CA ASP A 60 -0.798 12.763 -2.123 1.00 0.00 C ATOM 847 C ASP A 60 -1.856 13.372 -3.038 1.00 0.00 C ATOM 848 O ASP A 60 -2.628 14.236 -2.621 1.00 0.00 O ATOM 849 CB ASP A 60 0.492 13.584 -2.191 1.00 0.00 C ATOM 850 CG ASP A 60 1.063 13.877 -0.817 1.00 0.00 C ATOM 851 OD1 ASP A 60 1.268 12.919 -0.043 1.00 0.00 O ATOM 852 OD2 ASP A 60 1.305 15.064 -0.516 1.00 0.00 O ATOM 0 H ASP A 60 0.397 11.212 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.177 12.781 -1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.232 13.044 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.295 14.523 -2.708 1.00 0.00 H new ATOM 857 N GLU A 61 -1.886 12.916 -4.286 1.00 0.00 N ATOM 858 CA GLU A 61 -2.848 13.416 -5.260 1.00 0.00 C ATOM 859 C GLU A 61 -3.869 12.339 -5.619 1.00 0.00 C ATOM 860 O GLU A 61 -3.616 11.147 -5.438 1.00 0.00 O ATOM 861 CB GLU A 61 -2.128 13.891 -6.523 1.00 0.00 C ATOM 862 CG GLU A 61 -1.488 15.263 -6.379 1.00 0.00 C ATOM 863 CD GLU A 61 -0.481 15.555 -7.475 1.00 0.00 C ATOM 864 OE1 GLU A 61 0.105 14.594 -8.014 1.00 0.00 O ATOM 865 OE2 GLU A 61 -0.282 16.746 -7.795 1.00 0.00 O ATOM 0 H GLU A 61 -1.255 12.201 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.375 14.258 -4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.358 13.166 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.839 13.916 -7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.266 16.026 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.994 15.329 -5.410 1.00 0.00 H new ATOM 872 N PRO A 62 -5.042 12.744 -6.135 1.00 0.00 N ATOM 873 CA PRO A 62 -6.103 11.807 -6.520 1.00 0.00 C ATOM 874 C PRO A 62 -5.732 10.987 -7.751 1.00 0.00 C ATOM 875 O PRO A 62 -5.788 11.481 -8.877 1.00 0.00 O ATOM 876 CB PRO A 62 -7.292 12.720 -6.822 1.00 0.00 C ATOM 877 CG PRO A 62 -6.682 14.024 -7.202 1.00 0.00 C ATOM 878 CD PRO A 62 -5.426 14.147 -6.385 1.00 0.00 C ATOM 0 HA PRO A 62 -6.302 11.073 -5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.904 12.319 -7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.941 12.825 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.458 14.054 -8.268 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.364 14.849 -6.996 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.647 14.687 -6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.603 14.687 -5.455 1.00 0.00 H new ATOM 886 N GLU A 63 -5.352 9.733 -7.528 1.00 0.00 N ATOM 887 CA GLU A 63 -4.972 8.845 -8.620 1.00 0.00 C ATOM 888 C GLU A 63 -4.911 7.396 -8.146 1.00 0.00 C ATOM 889 O GLU A 63 -4.102 6.607 -8.634 1.00 0.00 O ATOM 890 CB GLU A 63 -3.619 9.264 -9.197 1.00 0.00 C ATOM 891 CG GLU A 63 -3.583 9.271 -10.717 1.00 0.00 C ATOM 892 CD GLU A 63 -2.479 10.151 -11.270 1.00 0.00 C ATOM 893 OE1 GLU A 63 -1.338 9.660 -11.402 1.00 0.00 O ATOM 894 OE2 GLU A 63 -2.755 11.331 -11.569 1.00 0.00 O ATOM 0 H GLU A 63 -5.299 9.309 -6.602 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.730 8.921 -9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.370 10.260 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.850 8.587 -8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.445 8.252 -11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.544 9.617 -11.098 1.00 0.00 H new ATOM 901 N GLY A 64 -5.771 7.053 -7.191 1.00 0.00 N ATOM 902 CA GLY A 64 -5.797 5.700 -6.667 1.00 0.00 C ATOM 903 C GLY A 64 -7.118 5.002 -6.930 1.00 0.00 C ATOM 904 O GLY A 64 -8.117 5.649 -7.241 1.00 0.00 O ATOM 0 H GLY A 64 -6.450 7.688 -6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.989 5.124 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.610 5.726 -5.593 1.00 0.00 H new ATOM 908 N LYS A 65 -7.121 3.680 -6.804 1.00 0.00 N ATOM 909 CA LYS A 65 -8.328 2.893 -7.030 1.00 0.00 C ATOM 910 C LYS A 65 -8.812 2.253 -5.733 1.00 0.00 C ATOM 911 O LYS A 65 -9.406 1.175 -5.744 1.00 0.00 O ATOM 912 CB LYS A 65 -8.068 1.811 -8.079 1.00 0.00 C ATOM 913 CG LYS A 65 -7.456 2.344 -9.365 1.00 0.00 C ATOM 914 CD LYS A 65 -7.032 1.214 -10.289 1.00 0.00 C ATOM 915 CE LYS A 65 -6.664 1.733 -11.670 1.00 0.00 C ATOM 916 NZ LYS A 65 -7.105 0.805 -12.748 1.00 0.00 N ATOM 0 H LYS A 65 -6.301 3.130 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.105 3.564 -7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.404 1.058 -7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.008 1.311 -8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.177 2.982 -9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.592 2.965 -9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.180 0.690 -9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.842 0.489 -10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.120 2.711 -11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.585 1.872 -11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.835 1.195 -13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.650 -0.121 -12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.138 0.692 -12.708 1.00 0.00 H new ATOM 930 N ASN A 66 -8.555 2.924 -4.615 1.00 0.00 N ATOM 931 CA ASN A 66 -8.965 2.420 -3.308 1.00 0.00 C ATOM 932 C ASN A 66 -9.188 3.568 -2.330 1.00 0.00 C ATOM 933 O ASN A 66 -8.891 4.723 -2.632 1.00 0.00 O ATOM 934 CB ASN A 66 -7.910 1.460 -2.755 1.00 0.00 C ATOM 935 CG ASN A 66 -7.910 0.125 -3.475 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.869 -0.640 -3.387 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.828 -0.160 -4.190 1.00 0.00 N ATOM 0 H ASN A 66 -8.065 3.818 -4.587 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.905 1.883 -3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.925 1.917 -2.843 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.092 1.297 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.769 -1.044 -4.695 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.056 0.505 -4.234 1.00 0.00 H new ATOM 944 N ASN A 67 -9.713 3.241 -1.152 1.00 0.00 N ATOM 945 CA ASN A 67 -9.974 4.245 -0.128 1.00 0.00 C ATOM 946 C ASN A 67 -9.566 3.736 1.250 1.00 0.00 C ATOM 947 O ASN A 67 -10.161 4.109 2.262 1.00 0.00 O ATOM 948 CB ASN A 67 -11.456 4.627 -0.125 1.00 0.00 C ATOM 949 CG ASN A 67 -12.363 3.424 0.052 1.00 0.00 C ATOM 950 OD1 ASN A 67 -12.637 2.997 1.173 1.00 0.00 O ATOM 951 ND2 ASN A 67 -12.834 2.872 -1.060 1.00 0.00 N ATOM 0 H ASN A 67 -9.965 2.290 -0.884 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.378 5.128 -0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.643 5.341 0.677 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.701 5.129 -1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.449 2.060 -1.005 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.580 3.260 -1.969 1.00 0.00 H new ATOM 958 N GLY A 68 -8.545 2.885 1.283 1.00 0.00 N ATOM 959 CA GLY A 68 -8.074 2.340 2.543 1.00 0.00 C ATOM 960 C GLY A 68 -8.344 0.854 2.671 1.00 0.00 C ATOM 961 O GLY A 68 -7.458 0.085 3.039 1.00 0.00 O ATOM 0 H GLY A 68 -8.036 2.563 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.003 2.520 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.558 2.866 3.366 1.00 0.00 H new ATOM 965 N SER A 69 -9.574 0.450 2.368 1.00 0.00 N ATOM 966 CA SER A 69 -9.960 -0.954 2.453 1.00 0.00 C ATOM 967 C SER A 69 -10.148 -1.552 1.062 1.00 0.00 C ATOM 968 O SER A 69 -10.464 -0.843 0.107 1.00 0.00 O ATOM 969 CB SER A 69 -11.249 -1.103 3.264 1.00 0.00 C ATOM 970 OG SER A 69 -11.505 0.058 4.035 1.00 0.00 O ATOM 0 H SER A 69 -10.320 1.075 2.062 1.00 0.00 H new ATOM 0 HA SER A 69 -9.159 -1.495 2.956 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.086 -1.288 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.171 -1.969 3.921 1.00 0.00 H new ATOM 0 HG SER A 69 -12.335 -0.063 4.542 1.00 0.00 H new ATOM 976 N VAL A 70 -9.952 -2.863 0.955 1.00 0.00 N ATOM 977 CA VAL A 70 -10.100 -3.558 -0.317 1.00 0.00 C ATOM 978 C VAL A 70 -11.204 -4.607 -0.243 1.00 0.00 C ATOM 979 O VAL A 70 -11.024 -5.673 0.346 1.00 0.00 O ATOM 980 CB VAL A 70 -8.787 -4.242 -0.741 1.00 0.00 C ATOM 981 CG1 VAL A 70 -8.900 -4.788 -2.156 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.619 -3.273 -0.627 1.00 0.00 C ATOM 0 H VAL A 70 -9.690 -3.465 1.736 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.364 -2.805 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.602 -5.079 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.962 -5.267 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.708 -5.518 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.110 -3.971 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.700 -3.774 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.795 -2.414 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.525 -2.937 0.405 1.00 0.00 H new ATOM 992 N GLY A 71 -12.349 -4.296 -0.843 1.00 0.00 N ATOM 993 CA GLY A 71 -13.467 -5.223 -0.831 1.00 0.00 C ATOM 994 C GLY A 71 -13.995 -5.476 0.567 1.00 0.00 C ATOM 995 O GLY A 71 -14.616 -4.602 1.171 1.00 0.00 O ATOM 0 H GLY A 71 -12.523 -3.420 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.270 -4.827 -1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.156 -6.168 -1.275 1.00 0.00 H new ATOM 999 N ARG A 72 -13.745 -6.675 1.083 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.199 -7.041 2.421 1.00 0.00 C ATOM 1001 C ARG A 72 -13.023 -7.142 3.386 1.00 0.00 C ATOM 1002 O ARG A 72 -13.058 -7.913 4.345 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.957 -8.368 2.381 1.00 0.00 C ATOM 1004 CG ARG A 72 -14.185 -9.490 1.705 1.00 0.00 C ATOM 1005 CD ARG A 72 -14.550 -9.611 0.235 1.00 0.00 C ATOM 1006 NE ARG A 72 -14.536 -11.000 -0.220 1.00 0.00 N ATOM 1007 CZ ARG A 72 -13.432 -11.737 -0.316 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -12.252 -11.223 0.009 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -13.508 -12.992 -0.738 1.00 0.00 N ATOM 0 H ARG A 72 -13.231 -7.409 0.596 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.870 -6.259 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.201 -8.669 3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.902 -8.222 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.115 -9.306 1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.393 -10.433 2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -15.540 -9.186 0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.849 -9.027 -0.362 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.424 -11.429 -0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.188 -10.258 0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.409 -11.793 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.412 -13.392 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.662 -13.557 -0.812 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.979 -6.360 3.126 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.792 -6.361 3.971 1.00 0.00 C ATOM 1025 C VAL A 73 -10.330 -4.938 4.267 1.00 0.00 C ATOM 1026 O VAL A 73 -10.508 -4.034 3.451 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.634 -7.137 3.314 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.468 -7.276 4.278 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -10.108 -8.503 2.839 1.00 0.00 C ATOM 0 H VAL A 73 -11.932 -5.717 2.335 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.067 -6.855 4.903 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.291 -6.574 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.661 -7.827 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.112 -6.286 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.794 -7.815 5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.277 -9.036 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.479 -9.075 3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.908 -8.377 2.109 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.736 -4.747 5.441 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.249 -3.432 5.844 1.00 0.00 C ATOM 1041 C GLN A 74 -7.736 -3.448 6.041 1.00 0.00 C ATOM 1042 O GLN A 74 -7.191 -4.363 6.659 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.937 -2.985 7.136 1.00 0.00 C ATOM 1044 CG GLN A 74 -10.042 -1.475 7.278 1.00 0.00 C ATOM 1045 CD GLN A 74 -8.840 -0.871 7.977 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -8.220 -1.506 8.831 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -8.505 0.364 7.619 1.00 0.00 N ATOM 0 H GLN A 74 -9.581 -5.484 6.129 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.487 -2.725 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.938 -3.416 7.173 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.387 -3.384 7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.146 -1.027 6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.945 -1.228 7.837 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.047 0.853 6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.706 0.823 8.056 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.066 -2.429 5.514 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.616 -2.324 5.632 1.00 0.00 C ATOM 1058 C TYR A 75 -5.217 -0.964 6.198 1.00 0.00 C ATOM 1059 O TYR A 75 -4.387 -0.878 7.104 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.955 -2.540 4.270 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.445 -3.772 3.545 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.714 -3.809 2.979 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.640 -4.898 3.426 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -7.167 -4.934 2.315 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -5.085 -6.026 2.764 1.00 0.00 C ATOM 1066 CZ TYR A 75 -6.349 -6.039 2.212 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.796 -7.161 1.551 1.00 0.00 O ATOM 0 H TYR A 75 -7.504 -1.664 5.001 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.273 -3.098 6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.137 -1.665 3.645 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.876 -2.615 4.407 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.357 -2.945 3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.650 -4.891 3.858 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -8.155 -4.947 1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.447 -6.893 2.679 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.155 -6.904 0.676 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.815 0.093 5.661 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.525 1.450 6.115 1.00 0.00 C ATOM 1079 C PHE A 76 -6.694 2.384 5.817 1.00 0.00 C ATOM 1080 O PHE A 76 -7.699 1.972 5.237 1.00 0.00 O ATOM 1081 CB PHE A 76 -4.247 1.973 5.451 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.395 2.252 3.982 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -4.762 1.245 3.105 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.166 3.523 3.479 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -4.898 1.499 1.753 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.300 3.783 2.129 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.667 2.769 1.265 1.00 0.00 C ATOM 0 H PHE A 76 -6.504 0.038 4.911 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.375 1.422 7.194 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.936 2.888 5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.450 1.243 5.594 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.944 0.249 3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.880 4.319 4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.185 0.705 1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.118 4.778 1.749 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.773 2.970 0.209 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.556 3.644 6.217 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.601 4.636 5.992 1.00 0.00 C ATOM 1099 C LYS A 77 -7.063 5.825 5.202 1.00 0.00 C ATOM 1100 O LYS A 77 -5.902 6.206 5.349 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.175 5.113 7.328 1.00 0.00 C ATOM 1102 CG LYS A 77 -8.993 4.055 8.052 1.00 0.00 C ATOM 1103 CD LYS A 77 -10.116 3.523 7.176 1.00 0.00 C ATOM 1104 CE LYS A 77 -11.078 2.652 7.969 1.00 0.00 C ATOM 1105 NZ LYS A 77 -12.354 3.360 8.263 1.00 0.00 N ATOM 0 H LYS A 77 -5.731 4.002 6.698 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.394 4.167 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.356 5.431 7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.801 5.988 7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.343 3.233 8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.412 4.479 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.660 4.358 6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.694 2.945 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.289 1.741 7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.607 2.349 8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.982 2.733 8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.156 4.216 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.817 3.627 7.371 1.00 0.00 H new ATOM 1119 N CYS A 78 -7.916 6.405 4.365 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.528 7.551 3.551 1.00 0.00 C ATOM 1121 C CYS A 78 -8.713 8.073 2.745 1.00 0.00 C ATOM 1122 O CYS A 78 -9.830 7.571 2.870 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.384 7.171 2.610 1.00 0.00 C ATOM 1124 SG CYS A 78 -6.751 5.769 1.529 1.00 0.00 S ATOM 0 H CYS A 78 -8.880 6.101 4.232 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.191 8.342 4.220 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.132 8.035 1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.501 6.936 3.205 1.00 0.00 H new ATOM 0 HG CYS A 78 -5.954 4.782 1.813 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.461 9.081 1.917 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.507 9.669 1.090 1.00 0.00 C ATOM 1132 C ALA A 79 -9.835 8.772 -0.101 1.00 0.00 C ATOM 1133 O ALA A 79 -9.054 7.892 -0.458 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.086 11.052 0.612 1.00 0.00 C ATOM 0 H ALA A 79 -7.542 9.507 1.801 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.407 9.765 1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.876 11.480 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.909 11.696 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.171 10.971 0.025 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.002 8.986 -0.733 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.431 8.192 -1.890 1.00 0.00 C ATOM 1142 C PRO A 80 -10.580 8.463 -3.125 1.00 0.00 C ATOM 1143 O PRO A 80 -10.221 9.606 -3.405 1.00 0.00 O ATOM 1144 CB PRO A 80 -12.873 8.649 -2.123 1.00 0.00 C ATOM 1145 CG PRO A 80 -12.935 10.020 -1.544 1.00 0.00 C ATOM 1146 CD PRO A 80 -11.994 10.017 -0.371 1.00 0.00 C ATOM 0 HA PRO A 80 -11.335 7.122 -1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.119 8.656 -3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.583 7.981 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.639 10.768 -2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.949 10.265 -1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.527 10.991 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.509 9.771 0.557 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.259 7.403 -3.860 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.449 7.526 -5.067 1.00 0.00 C ATOM 1156 C LYS A 81 -8.063 8.070 -4.740 1.00 0.00 C ATOM 1157 O LYS A 81 -7.455 8.776 -5.545 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.142 8.439 -6.082 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.536 7.973 -6.467 1.00 0.00 C ATOM 1160 CD LYS A 81 -12.229 8.978 -7.373 1.00 0.00 C ATOM 1161 CE LYS A 81 -13.001 8.286 -8.485 1.00 0.00 C ATOM 1162 NZ LYS A 81 -13.390 9.234 -9.564 1.00 0.00 N ATOM 0 H LYS A 81 -10.547 6.449 -3.641 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.336 6.532 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.206 9.446 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.528 8.502 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.472 7.009 -6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.132 7.822 -5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.910 9.592 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.488 9.650 -7.807 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.392 7.486 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.895 7.821 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.914 8.723 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.992 9.983 -9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.536 9.659 -9.977 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.568 7.737 -3.552 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.251 8.191 -3.116 1.00 0.00 C ATOM 1178 C TYR A 82 -5.372 7.010 -2.721 1.00 0.00 C ATOM 1179 O TYR A 82 -4.195 6.951 -3.079 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.386 9.158 -1.939 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.627 10.591 -2.356 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.577 11.398 -2.775 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -7.905 11.137 -2.330 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -5.793 12.710 -3.157 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.128 12.447 -2.709 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.070 13.229 -3.122 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.289 14.533 -3.501 1.00 0.00 O ATOM 0 H TYR A 82 -8.059 7.154 -2.874 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.778 8.709 -3.950 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.209 8.830 -1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.479 9.112 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.576 10.995 -2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.737 10.528 -2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.966 13.324 -3.481 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.127 12.857 -2.682 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.243 14.742 -3.419 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.950 6.070 -1.980 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.203 4.902 -1.548 1.00 0.00 C ATOM 1199 C GLY A 83 -4.924 3.937 -2.684 1.00 0.00 C ATOM 1200 O GLY A 83 -5.732 3.800 -3.603 1.00 0.00 O ATOM 0 H GLY A 83 -6.922 6.096 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.259 5.222 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.761 4.386 -0.767 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.779 3.268 -2.620 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.394 2.310 -3.651 1.00 0.00 C ATOM 1206 C ILE A 84 -2.388 1.297 -3.111 1.00 0.00 C ATOM 1207 O ILE A 84 -1.624 1.596 -2.193 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.791 3.021 -4.879 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.496 2.012 -5.991 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.529 3.776 -4.492 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.571 2.604 -7.381 1.00 0.00 C ATOM 0 H ILE A 84 -3.101 3.371 -1.865 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.300 1.787 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.519 3.741 -5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.501 1.594 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.204 1.186 -5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.117 4.271 -5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.769 4.522 -3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.795 3.077 -4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.351 1.832 -8.118 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.573 2.997 -7.556 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.844 3.411 -7.473 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.395 0.100 -3.686 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.484 -0.958 -3.261 1.00 0.00 C ATOM 1225 C PHE A 85 -0.454 -1.257 -4.346 1.00 0.00 C ATOM 1226 O PHE A 85 -0.757 -1.200 -5.537 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.267 -2.227 -2.920 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.139 -2.086 -1.705 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.253 -1.262 -1.727 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -2.844 -2.776 -0.540 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.057 -1.130 -0.610 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.643 -2.649 0.580 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.752 -1.824 0.544 1.00 0.00 C ATOM 0 H PHE A 85 -3.021 -0.163 -4.447 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.957 -0.615 -2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.888 -2.501 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.565 -3.045 -2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.496 -0.717 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.979 -3.421 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.923 -0.485 -0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.402 -3.193 1.481 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.379 -1.723 1.418 1.00 0.00 H new ATOM 1243 N ALA A 86 0.765 -1.577 -3.922 1.00 0.00 N ATOM 1244 CA ALA A 86 1.842 -1.886 -4.855 1.00 0.00 C ATOM 1245 C ALA A 86 2.817 -2.896 -4.253 1.00 0.00 C ATOM 1246 O ALA A 86 2.957 -2.983 -3.033 1.00 0.00 O ATOM 1247 CB ALA A 86 2.575 -0.614 -5.254 1.00 0.00 C ATOM 0 H ALA A 86 1.031 -1.629 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 86 1.401 -2.333 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.377 -0.859 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.877 0.074 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.997 -0.144 -4.366 1.00 0.00 H new ATOM 1253 N PRO A 87 3.506 -3.675 -5.104 1.00 0.00 N ATOM 1254 CA PRO A 87 4.469 -4.682 -4.649 1.00 0.00 C ATOM 1255 C PRO A 87 5.549 -4.088 -3.750 1.00 0.00 C ATOM 1256 O PRO A 87 6.248 -3.156 -4.138 1.00 0.00 O ATOM 1257 CB PRO A 87 5.087 -5.206 -5.950 1.00 0.00 C ATOM 1258 CG PRO A 87 4.074 -4.909 -7.000 1.00 0.00 C ATOM 1259 CD PRO A 87 3.399 -3.637 -6.574 1.00 0.00 C ATOM 0 HA PRO A 87 3.991 -5.456 -4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.035 -4.712 -6.164 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.291 -6.275 -5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.546 -4.793 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.354 -5.722 -7.089 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.893 -2.760 -6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.360 -3.603 -6.901 1.00 0.00 H new ATOM 1267 N LEU A 88 5.673 -4.634 -2.540 1.00 0.00 N ATOM 1268 CA LEU A 88 6.668 -4.156 -1.585 1.00 0.00 C ATOM 1269 C LEU A 88 8.025 -4.037 -2.262 1.00 0.00 C ATOM 1270 O LEU A 88 8.706 -3.019 -2.149 1.00 0.00 O ATOM 1271 CB LEU A 88 6.759 -5.105 -0.388 1.00 0.00 C ATOM 1272 CG LEU A 88 7.553 -4.569 0.803 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.898 -3.314 1.360 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.674 -5.634 1.883 1.00 0.00 C ATOM 0 H LEU A 88 5.098 -5.405 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 88 6.363 -3.173 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.749 -5.343 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.214 -6.039 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 88 8.555 -4.309 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.477 -2.947 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.862 -2.548 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.885 -3.547 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.242 -5.236 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.679 -5.924 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.188 -6.506 1.478 1.00 0.00 H new ATOM 1286 N SER A 89 8.395 -5.087 -2.987 1.00 0.00 N ATOM 1287 CA SER A 89 9.657 -5.106 -3.711 1.00 0.00 C ATOM 1288 C SER A 89 9.731 -3.905 -4.646 1.00 0.00 C ATOM 1289 O SER A 89 10.816 -3.440 -4.993 1.00 0.00 O ATOM 1290 CB SER A 89 9.799 -6.404 -4.507 1.00 0.00 C ATOM 1291 OG SER A 89 10.025 -7.508 -3.647 1.00 0.00 O ATOM 0 H SER A 89 7.838 -5.935 -3.088 1.00 0.00 H new ATOM 0 HA SER A 89 10.476 -5.052 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.896 -6.575 -5.094 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.625 -6.313 -5.212 1.00 0.00 H new ATOM 0 HG SER A 89 10.190 -7.185 -2.736 1.00 0.00 H new ATOM 1297 N LYS A 90 8.562 -3.397 -5.037 1.00 0.00 N ATOM 1298 CA LYS A 90 8.495 -2.238 -5.914 1.00 0.00 C ATOM 1299 C LYS A 90 8.480 -0.949 -5.095 1.00 0.00 C ATOM 1300 O LYS A 90 8.694 0.139 -5.630 1.00 0.00 O ATOM 1301 CB LYS A 90 7.252 -2.306 -6.804 1.00 0.00 C ATOM 1302 CG LYS A 90 7.461 -3.100 -8.083 1.00 0.00 C ATOM 1303 CD LYS A 90 6.998 -2.325 -9.306 1.00 0.00 C ATOM 1304 CE LYS A 90 7.742 -2.759 -10.560 1.00 0.00 C ATOM 1305 NZ LYS A 90 8.269 -1.595 -11.324 1.00 0.00 N ATOM 0 H LYS A 90 7.655 -3.771 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 90 9.380 -2.241 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.435 -2.753 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.944 -1.293 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.517 -3.350 -8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.915 -4.042 -8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.928 -2.474 -9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.153 -1.259 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.567 -3.415 -10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.073 -3.338 -11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.769 -1.933 -12.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.480 -0.981 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.927 -1.056 -10.726 1.00 0.00 H new ATOM 1319 N ILE A 91 8.226 -1.076 -3.791 1.00 0.00 N ATOM 1320 CA ILE A 91 8.189 0.082 -2.908 1.00 0.00 C ATOM 1321 C ILE A 91 9.581 0.411 -2.378 1.00 0.00 C ATOM 1322 O ILE A 91 10.159 -0.355 -1.606 1.00 0.00 O ATOM 1323 CB ILE A 91 7.235 -0.145 -1.717 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.847 -0.548 -2.216 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.150 1.106 -0.855 1.00 0.00 C ATOM 1326 CD1 ILE A 91 5.234 0.452 -3.172 1.00 0.00 C ATOM 0 H ILE A 91 8.044 -1.967 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 91 7.820 0.920 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 91 7.632 -0.956 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.915 -1.517 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.184 -0.673 -1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.473 0.927 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.141 1.352 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.776 1.936 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.251 0.101 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.134 1.417 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.876 0.560 -4.047 1.00 0.00 H new ATOM 1338 N SER A 92 10.114 1.553 -2.797 1.00 0.00 N ATOM 1339 CA SER A 92 11.439 1.984 -2.366 1.00 0.00 C ATOM 1340 C SER A 92 11.345 3.212 -1.467 1.00 0.00 C ATOM 1341 O SER A 92 10.253 3.711 -1.191 1.00 0.00 O ATOM 1342 CB SER A 92 12.319 2.292 -3.579 1.00 0.00 C ATOM 1343 OG SER A 92 13.670 1.945 -3.332 1.00 0.00 O ATOM 0 H SER A 92 9.648 2.198 -3.435 1.00 0.00 H new ATOM 0 HA SER A 92 11.890 1.172 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.952 1.743 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.251 3.353 -3.821 1.00 0.00 H new ATOM 0 HG SER A 92 14.210 2.150 -4.123 1.00 0.00 H new ATOM 1349 N LYS A 93 12.496 3.694 -1.011 1.00 0.00 N ATOM 1350 CA LYS A 93 12.544 4.865 -0.142 1.00 0.00 C ATOM 1351 C LYS A 93 12.691 6.144 -0.959 1.00 0.00 C ATOM 1352 O LYS A 93 13.309 6.145 -2.024 1.00 0.00 O ATOM 1353 CB LYS A 93 13.703 4.743 0.850 1.00 0.00 C ATOM 1354 CG LYS A 93 13.560 5.646 2.065 1.00 0.00 C ATOM 1355 CD LYS A 93 14.763 6.563 2.226 1.00 0.00 C ATOM 1356 CE LYS A 93 14.390 7.850 2.945 1.00 0.00 C ATOM 1357 NZ LYS A 93 15.506 8.835 2.935 1.00 0.00 N ATOM 0 H LYS A 93 13.408 3.292 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 93 11.606 4.915 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.778 3.708 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.635 4.981 0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.655 6.246 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.444 5.036 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.544 6.046 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.176 6.799 1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.513 8.290 2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.115 7.624 3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.415 9.471 3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.414 8.331 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.469 9.393 2.058 1.00 0.00 H new ATOM 1371 N LEU A 94 12.119 7.232 -0.455 1.00 0.00 N ATOM 1372 CA LEU A 94 12.187 8.518 -1.137 1.00 0.00 C ATOM 1373 C LEU A 94 13.490 9.240 -0.810 1.00 0.00 C ATOM 1374 O LEU A 94 13.969 9.192 0.323 1.00 0.00 O ATOM 1375 CB LEU A 94 10.994 9.391 -0.745 1.00 0.00 C ATOM 1376 CG LEU A 94 10.841 10.681 -1.554 1.00 0.00 C ATOM 1377 CD1 LEU A 94 10.509 10.364 -3.004 1.00 0.00 C ATOM 1378 CD2 LEU A 94 9.768 11.569 -0.941 1.00 0.00 C ATOM 0 H LEU A 94 11.603 7.248 0.424 1.00 0.00 H new ATOM 0 HA LEU A 94 12.155 8.333 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.082 8.803 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.084 9.650 0.310 1.00 0.00 H new ATOM 0 HG LEU A 94 11.788 11.219 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.404 11.293 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.311 9.767 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.574 9.805 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.672 12.482 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.816 11.039 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.047 11.823 0.082 1.00 0.00 H new ATOM 1390 N LYS A 95 14.058 9.908 -1.808 1.00 0.00 N ATOM 1391 CA LYS A 95 15.306 10.640 -1.625 1.00 0.00 C ATOM 1392 C LYS A 95 15.263 11.979 -2.354 1.00 0.00 C ATOM 1393 O LYS A 95 14.703 12.086 -3.445 1.00 0.00 O ATOM 1394 CB LYS A 95 16.487 9.808 -2.130 1.00 0.00 C ATOM 1395 CG LYS A 95 17.116 8.933 -1.058 1.00 0.00 C ATOM 1396 CD LYS A 95 18.609 8.757 -1.288 1.00 0.00 C ATOM 1397 CE LYS A 95 19.413 9.839 -0.584 1.00 0.00 C ATOM 1398 NZ LYS A 95 19.984 10.821 -1.546 1.00 0.00 N ATOM 0 H LYS A 95 13.674 9.958 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 95 15.434 10.831 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 95 16.151 9.176 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 95 17.247 10.478 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.948 9.379 -0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.630 7.957 -1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 95 18.921 7.777 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 95 18.819 8.784 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.774 10.359 0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 95 20.220 9.379 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 20.525 11.542 -1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 20.614 10.329 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.213 11.279 -2.073 1.00 0.00 H new ATOM 1412 N ASP A 96 15.859 12.997 -1.744 1.00 0.00 N ATOM 1413 CA ASP A 96 15.889 14.330 -2.336 1.00 0.00 C ATOM 1414 C ASP A 96 17.057 14.468 -3.307 1.00 0.00 C ATOM 1415 O ASP A 96 18.092 15.044 -2.972 1.00 0.00 O ATOM 1416 CB ASP A 96 15.992 15.395 -1.241 1.00 0.00 C ATOM 1417 CG ASP A 96 15.661 16.783 -1.753 1.00 0.00 C ATOM 1418 OD1 ASP A 96 14.956 16.885 -2.779 1.00 0.00 O ATOM 1419 OD2 ASP A 96 16.106 17.768 -1.127 1.00 0.00 O ATOM 0 H ASP A 96 16.328 12.925 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 96 14.961 14.476 -2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.315 15.140 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 96 17.001 15.393 -0.830 1.00 0.00 H new ATOM 1424 N SER A 97 16.884 13.934 -4.512 1.00 0.00 N ATOM 1425 CA SER A 97 17.923 13.997 -5.532 1.00 0.00 C ATOM 1426 C SER A 97 17.337 13.766 -6.921 1.00 0.00 C ATOM 1427 O SER A 97 17.579 14.542 -7.845 1.00 0.00 O ATOM 1428 CB SER A 97 19.012 12.960 -5.246 1.00 0.00 C ATOM 1429 OG SER A 97 18.465 11.795 -4.656 1.00 0.00 O ATOM 0 H SER A 97 16.034 13.453 -4.805 1.00 0.00 H new ATOM 0 HA SER A 97 18.364 14.994 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 97 19.520 12.697 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 97 19.762 13.390 -4.582 1.00 0.00 H new ATOM 0 HG SER A 97 19.181 11.148 -4.485 1.00 0.00 H new ATOM 1435 N GLY A 98 16.564 12.693 -7.061 1.00 0.00 N ATOM 1436 CA GLY A 98 15.955 12.379 -8.341 1.00 0.00 C ATOM 1437 C GLY A 98 15.048 13.489 -8.840 1.00 0.00 C ATOM 1438 O GLY A 98 15.511 14.422 -9.497 1.00 0.00 O ATOM 0 H GLY A 98 16.349 12.036 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.738 12.195 -9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.380 11.457 -8.250 1.00 0.00 H new ATOM 1442 N PRO A 99 13.739 13.417 -8.543 1.00 0.00 N ATOM 1443 CA PRO A 99 12.775 14.431 -8.974 1.00 0.00 C ATOM 1444 C PRO A 99 12.842 15.696 -8.124 1.00 0.00 C ATOM 1445 O PRO A 99 11.848 16.110 -7.526 1.00 0.00 O ATOM 1446 CB PRO A 99 11.431 13.729 -8.785 1.00 0.00 C ATOM 1447 CG PRO A 99 11.660 12.781 -7.658 1.00 0.00 C ATOM 1448 CD PRO A 99 13.097 12.339 -7.765 1.00 0.00 C ATOM 0 HA PRO A 99 12.960 14.769 -9.994 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.641 14.442 -8.550 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.127 13.203 -9.690 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.472 13.264 -6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.985 11.928 -7.724 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.555 12.227 -6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.183 11.376 -8.269 1.00 0.00 H new ATOM 1456 N SER A 100 14.022 16.308 -8.074 1.00 0.00 N ATOM 1457 CA SER A 100 14.220 17.527 -7.297 1.00 0.00 C ATOM 1458 C SER A 100 15.664 18.007 -7.401 1.00 0.00 C ATOM 1459 O SER A 100 16.568 17.422 -6.803 1.00 0.00 O ATOM 1460 CB SER A 100 13.855 17.290 -5.830 1.00 0.00 C ATOM 1461 OG SER A 100 13.211 18.424 -5.275 1.00 0.00 O ATOM 0 H SER A 100 14.855 15.980 -8.562 1.00 0.00 H new ATOM 0 HA SER A 100 13.567 18.298 -7.706 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.201 16.421 -5.750 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.756 17.064 -5.260 1.00 0.00 H new ATOM 0 HG SER A 100 12.987 18.247 -4.338 1.00 0.00 H new ATOM 1467 N SER A 101 15.875 19.074 -8.164 1.00 0.00 N ATOM 1468 CA SER A 101 17.210 19.632 -8.346 1.00 0.00 C ATOM 1469 C SER A 101 17.223 21.126 -8.039 1.00 0.00 C ATOM 1470 O SER A 101 16.431 21.890 -8.590 1.00 0.00 O ATOM 1471 CB SER A 101 17.696 19.391 -9.777 1.00 0.00 C ATOM 1472 OG SER A 101 17.725 18.007 -10.079 1.00 0.00 O ATOM 0 H SER A 101 15.139 19.570 -8.666 1.00 0.00 H new ATOM 0 HA SER A 101 17.883 19.130 -7.651 1.00 0.00 H new ATOM 0 HB2 SER A 101 17.040 19.906 -10.479 1.00 0.00 H new ATOM 0 HB3 SER A 101 18.692 19.815 -9.902 1.00 0.00 H new ATOM 0 HG SER A 101 18.037 17.879 -10.999 1.00 0.00 H new ATOM 1478 N GLY A 102 18.126 21.535 -7.154 1.00 0.00 N ATOM 1479 CA GLY A 102 18.226 22.936 -6.788 1.00 0.00 C ATOM 1480 C GLY A 102 19.331 23.197 -5.784 1.00 0.00 C ATOM 1481 O GLY A 102 20.307 23.888 -6.142 1.00 0.00 O ATOM 1482 OXT GLY A 102 19.219 22.711 -4.638 1.00 0.00 O ATOM 0 H GLY A 102 18.791 20.921 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 102 18.406 23.530 -7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 102 17.275 23.268 -6.371 1.00 0.00 H new TER 1486 GLY A 102