USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 487 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 NoAdj-H: A 26 HIS HD1 : A 26 HIS ND1 : A 66 ZNZN :(H bumps) USER MOD Set 1.1: A 60 ASN : amide:sc= 0.785 K(o=3,f=-3.3) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 136:sc= 2.22 (180deg=0.932) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.122 (180deg=0) USER MOD Single : A 5 SER OG : rot -131:sc= 1.11 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 165:sc= -0.735 (180deg=-1.02) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 100:sc= 1.35 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -174:sc=-0.00172 (180deg=-0.04) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 1.08 K(o=1.1,f=-3.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0142 F(o=-1!,f=-0.014) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 55 GLN : amide:sc= 0.386 K(o=0.39,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.491 -25.887 -6.270 1.00 0.00 N ATOM 2 CA GLY A 1 12.776 -25.715 -7.546 1.00 0.00 C ATOM 3 C GLY A 1 13.559 -26.305 -8.692 1.00 0.00 C ATOM 4 O GLY A 1 14.708 -26.716 -8.496 1.00 0.00 O ATOM 0 H1 GLY A 1 12.944 -26.515 -5.647 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.426 -26.306 -6.450 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.609 -24.961 -5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.798 -26.193 -7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.602 -24.655 -7.729 1.00 0.00 H new ATOM 10 N PRO A 2 12.971 -26.361 -9.907 1.00 0.00 N ATOM 11 CA PRO A 2 13.621 -26.958 -11.086 1.00 0.00 C ATOM 12 C PRO A 2 14.981 -26.327 -11.385 1.00 0.00 C ATOM 13 O PRO A 2 15.938 -27.022 -11.729 1.00 0.00 O ATOM 14 CB PRO A 2 12.635 -26.648 -12.221 1.00 0.00 C ATOM 15 CG PRO A 2 11.323 -26.523 -11.537 1.00 0.00 C ATOM 16 CD PRO A 2 11.622 -25.851 -10.232 1.00 0.00 C ATOM 0 HA PRO A 2 13.823 -28.020 -10.946 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.902 -25.728 -12.741 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.622 -27.443 -12.966 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.624 -25.935 -12.131 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.866 -27.500 -11.381 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.611 -24.765 -10.324 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.894 -26.114 -9.465 1.00 0.00 H new ATOM 24 N LEU A 3 15.057 -25.014 -11.256 1.00 0.00 N ATOM 25 CA LEU A 3 16.293 -24.285 -11.467 1.00 0.00 C ATOM 26 C LEU A 3 16.508 -23.300 -10.325 1.00 0.00 C ATOM 27 O LEU A 3 15.611 -22.525 -10.006 1.00 0.00 O ATOM 28 CB LEU A 3 16.241 -23.551 -12.809 1.00 0.00 C ATOM 29 CG LEU A 3 17.490 -22.762 -13.205 1.00 0.00 C ATOM 30 CD1 LEU A 3 18.693 -23.677 -13.363 1.00 0.00 C ATOM 31 CD2 LEU A 3 17.237 -21.991 -14.479 1.00 0.00 C ATOM 0 H LEU A 3 14.264 -24.425 -11.002 1.00 0.00 H new ATOM 0 HA LEU A 3 17.129 -24.984 -11.488 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.038 -24.283 -13.591 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.395 -22.863 -12.789 1.00 0.00 H new ATOM 0 HG LEU A 3 17.714 -22.056 -12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 3 19.565 -23.086 -13.645 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.889 -24.186 -12.419 1.00 0.00 H new ATOM 0 HD13 LEU A 3 18.489 -24.416 -14.138 1.00 0.00 H new ATOM 0 HD21 LEU A 3 18.133 -21.433 -14.751 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.985 -22.685 -15.280 1.00 0.00 H new ATOM 0 HD23 LEU A 3 16.410 -21.297 -14.326 1.00 0.00 H new ATOM 43 N GLY A 4 17.681 -23.338 -9.712 1.00 0.00 N ATOM 44 CA GLY A 4 17.965 -22.460 -8.584 1.00 0.00 C ATOM 45 C GLY A 4 17.971 -20.990 -8.962 1.00 0.00 C ATOM 46 O GLY A 4 17.335 -20.169 -8.294 1.00 0.00 O ATOM 0 H GLY A 4 18.446 -23.960 -9.972 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.221 -22.626 -7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.934 -22.724 -8.160 1.00 0.00 H new ATOM 50 N SER A 5 18.685 -20.657 -10.022 1.00 0.00 N ATOM 51 CA SER A 5 18.737 -19.289 -10.521 1.00 0.00 C ATOM 52 C SER A 5 17.455 -18.985 -11.318 1.00 0.00 C ATOM 53 O SER A 5 16.844 -19.896 -11.889 1.00 0.00 O ATOM 54 CB SER A 5 19.994 -19.097 -11.384 1.00 0.00 C ATOM 55 OG SER A 5 20.182 -17.738 -11.750 1.00 0.00 O ATOM 0 H SER A 5 19.243 -21.320 -10.560 1.00 0.00 H new ATOM 0 HA SER A 5 18.794 -18.590 -9.686 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.868 -19.450 -10.836 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.914 -19.708 -12.283 1.00 0.00 H new ATOM 0 HG SER A 5 20.356 -17.679 -12.713 1.00 0.00 H new ATOM 61 N LYS A 6 17.045 -17.729 -11.360 1.00 0.00 N ATOM 62 CA LYS A 6 15.792 -17.384 -12.004 1.00 0.00 C ATOM 63 C LYS A 6 15.978 -17.151 -13.505 1.00 0.00 C ATOM 64 O LYS A 6 16.090 -16.025 -13.965 1.00 0.00 O ATOM 65 CB LYS A 6 15.134 -16.167 -11.323 1.00 0.00 C ATOM 66 CG LYS A 6 13.743 -15.815 -11.849 1.00 0.00 C ATOM 67 CD LYS A 6 13.142 -14.643 -11.082 1.00 0.00 C ATOM 68 CE LYS A 6 11.744 -14.310 -11.581 1.00 0.00 C ATOM 69 NZ LYS A 6 11.115 -13.213 -10.805 1.00 0.00 N ATOM 0 H LYS A 6 17.555 -16.941 -10.961 1.00 0.00 H new ATOM 0 HA LYS A 6 15.118 -18.233 -11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.064 -16.361 -10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.785 -15.302 -11.449 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.805 -15.566 -12.908 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.089 -16.683 -11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.103 -14.884 -10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.785 -13.769 -11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.794 -14.026 -12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.118 -15.200 -11.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.165 -13.022 -11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.042 -13.492 -9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.697 -12.355 -10.883 1.00 0.00 H new ATOM 83 N TYR A 7 16.042 -18.240 -14.247 1.00 0.00 N ATOM 84 CA TYR A 7 16.046 -18.202 -15.709 1.00 0.00 C ATOM 85 C TYR A 7 14.757 -18.792 -16.234 1.00 0.00 C ATOM 86 O TYR A 7 14.644 -19.144 -17.408 1.00 0.00 O ATOM 87 CB TYR A 7 17.243 -18.946 -16.305 1.00 0.00 C ATOM 88 CG TYR A 7 18.589 -18.322 -16.027 1.00 0.00 C ATOM 89 CD1 TYR A 7 19.027 -17.231 -16.761 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.428 -18.831 -15.051 1.00 0.00 C ATOM 91 CE1 TYR A 7 20.261 -16.663 -16.529 1.00 0.00 C ATOM 92 CE2 TYR A 7 20.664 -18.266 -14.810 1.00 0.00 C ATOM 93 CZ TYR A 7 21.075 -17.185 -15.553 1.00 0.00 C ATOM 94 OH TYR A 7 22.309 -16.625 -15.317 1.00 0.00 O ATOM 0 H TYR A 7 16.093 -19.182 -13.858 1.00 0.00 H new ATOM 0 HA TYR A 7 16.131 -17.159 -16.013 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.246 -19.965 -15.919 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.108 -19.014 -17.384 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.389 -16.818 -17.529 1.00 0.00 H new ATOM 0 HD2 TYR A 7 19.111 -19.684 -14.469 1.00 0.00 H new ATOM 0 HE1 TYR A 7 20.586 -15.813 -17.111 1.00 0.00 H new ATOM 0 HE2 TYR A 7 21.305 -18.671 -14.041 1.00 0.00 H new ATOM 0 HH TYR A 7 22.757 -17.112 -14.594 1.00 0.00 H new ATOM 104 N GLU A 8 13.801 -18.916 -15.348 1.00 0.00 N ATOM 105 CA GLU A 8 12.522 -19.485 -15.673 1.00 0.00 C ATOM 106 C GLU A 8 11.624 -18.435 -16.325 1.00 0.00 C ATOM 107 O GLU A 8 11.710 -17.243 -16.012 1.00 0.00 O ATOM 108 CB GLU A 8 11.880 -20.050 -14.405 1.00 0.00 C ATOM 109 CG GLU A 8 11.418 -21.490 -14.536 1.00 0.00 C ATOM 110 CD GLU A 8 10.203 -21.636 -15.409 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.320 -21.446 -16.628 1.00 0.00 O ATOM 112 OE2 GLU A 8 9.122 -21.969 -14.871 1.00 0.00 O ATOM 0 H GLU A 8 13.891 -18.622 -14.375 1.00 0.00 H new ATOM 0 HA GLU A 8 12.656 -20.297 -16.388 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.596 -19.982 -13.586 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.026 -19.429 -14.134 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.229 -22.091 -14.947 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.198 -21.887 -13.545 1.00 0.00 H new ATOM 119 N CYS A 9 10.778 -18.887 -17.215 1.00 0.00 N ATOM 120 CA CYS A 9 9.870 -18.044 -17.951 1.00 0.00 C ATOM 121 C CYS A 9 8.453 -18.476 -17.623 1.00 0.00 C ATOM 122 O CYS A 9 8.017 -19.539 -18.056 1.00 0.00 O ATOM 123 CB CYS A 9 10.133 -18.199 -19.451 1.00 0.00 C ATOM 124 SG CYS A 9 9.043 -17.220 -20.558 1.00 0.00 S ATOM 0 H CYS A 9 10.699 -19.875 -17.454 1.00 0.00 H new ATOM 0 HA CYS A 9 10.012 -16.998 -17.678 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.167 -17.919 -19.650 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.032 -19.253 -19.712 1.00 0.00 H new ATOM 129 N PRO A 10 7.705 -17.660 -16.864 1.00 0.00 N ATOM 130 CA PRO A 10 6.386 -18.055 -16.334 1.00 0.00 C ATOM 131 C PRO A 10 5.380 -18.364 -17.435 1.00 0.00 C ATOM 132 O PRO A 10 4.385 -19.059 -17.211 1.00 0.00 O ATOM 133 CB PRO A 10 5.930 -16.804 -15.570 1.00 0.00 C ATOM 134 CG PRO A 10 7.186 -16.062 -15.278 1.00 0.00 C ATOM 135 CD PRO A 10 8.076 -16.297 -16.456 1.00 0.00 C ATOM 0 HA PRO A 10 6.451 -18.961 -15.732 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.245 -16.203 -16.167 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.404 -17.070 -14.653 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.990 -14.999 -15.141 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.649 -16.422 -14.359 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.898 -15.572 -17.251 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.130 -16.225 -16.189 1.00 0.00 H new ATOM 143 N ILE A 11 5.639 -17.837 -18.617 1.00 0.00 N ATOM 144 CA ILE A 11 4.793 -18.083 -19.761 1.00 0.00 C ATOM 145 C ILE A 11 4.862 -19.557 -20.219 1.00 0.00 C ATOM 146 O ILE A 11 3.835 -20.184 -20.493 1.00 0.00 O ATOM 147 CB ILE A 11 5.126 -17.124 -20.926 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.774 -15.683 -20.523 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.354 -17.521 -22.182 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.243 -14.631 -21.503 1.00 0.00 C ATOM 0 H ILE A 11 6.437 -17.231 -18.807 1.00 0.00 H new ATOM 0 HA ILE A 11 3.768 -17.885 -19.448 1.00 0.00 H new ATOM 0 HB ILE A 11 6.192 -17.188 -21.143 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.693 -15.603 -20.412 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.211 -15.474 -19.547 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.600 -16.835 -22.993 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.626 -18.536 -22.471 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.284 -17.475 -21.981 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.954 -13.644 -21.143 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.328 -14.680 -21.597 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.786 -14.811 -22.476 1.00 0.00 H new ATOM 162 N CYS A 12 6.068 -20.107 -20.274 1.00 0.00 N ATOM 163 CA CYS A 12 6.258 -21.454 -20.796 1.00 0.00 C ATOM 164 C CYS A 12 6.557 -22.461 -19.691 1.00 0.00 C ATOM 165 O CYS A 12 6.420 -23.669 -19.893 1.00 0.00 O ATOM 166 CB CYS A 12 7.358 -21.466 -21.864 1.00 0.00 C ATOM 167 SG CYS A 12 8.954 -20.771 -21.329 1.00 0.00 S ATOM 0 H CYS A 12 6.924 -19.645 -19.966 1.00 0.00 H new ATOM 0 HA CYS A 12 5.320 -21.761 -21.259 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.517 -22.494 -22.190 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.008 -20.907 -22.732 1.00 0.00 H new ATOM 172 N LEU A 13 6.962 -21.950 -18.530 1.00 0.00 N ATOM 173 CA LEU A 13 7.311 -22.754 -17.355 1.00 0.00 C ATOM 174 C LEU A 13 8.422 -23.766 -17.664 1.00 0.00 C ATOM 175 O LEU A 13 8.466 -24.866 -17.098 1.00 0.00 O ATOM 176 CB LEU A 13 6.063 -23.461 -16.802 1.00 0.00 C ATOM 177 CG LEU A 13 4.935 -22.548 -16.306 1.00 0.00 C ATOM 178 CD1 LEU A 13 3.728 -23.366 -15.882 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.416 -21.683 -15.150 1.00 0.00 C ATOM 0 H LEU A 13 7.059 -20.947 -18.374 1.00 0.00 H new ATOM 0 HA LEU A 13 7.697 -22.077 -16.593 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.662 -24.109 -17.581 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.370 -24.105 -15.978 1.00 0.00 H new ATOM 0 HG LEU A 13 4.640 -21.897 -17.129 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.940 -22.698 -15.534 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.364 -23.945 -16.731 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.012 -24.043 -15.076 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.602 -21.042 -14.812 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.741 -22.321 -14.328 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.251 -21.065 -15.481 1.00 0.00 H new ATOM 191 N MET A 14 9.328 -23.379 -18.548 1.00 0.00 N ATOM 192 CA MET A 14 10.466 -24.212 -18.893 1.00 0.00 C ATOM 193 C MET A 14 11.791 -23.493 -18.607 1.00 0.00 C ATOM 194 O MET A 14 12.453 -23.775 -17.609 1.00 0.00 O ATOM 195 CB MET A 14 10.397 -24.670 -20.347 1.00 0.00 C ATOM 196 CG MET A 14 9.244 -25.619 -20.648 1.00 0.00 C ATOM 197 SD MET A 14 9.234 -26.202 -22.361 1.00 0.00 S ATOM 198 CE MET A 14 8.790 -24.707 -23.235 1.00 0.00 C ATOM 0 H MET A 14 9.295 -22.487 -19.042 1.00 0.00 H new ATOM 0 HA MET A 14 10.425 -25.099 -18.261 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.308 -23.793 -20.989 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.335 -25.161 -20.606 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.303 -26.477 -19.979 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.301 -25.114 -20.437 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.000 -24.831 -24.297 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.728 -24.506 -23.096 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.371 -23.871 -22.845 1.00 0.00 H new ATOM 208 N ALA A 15 12.169 -22.559 -19.484 1.00 0.00 N ATOM 209 CA ALA A 15 13.416 -21.793 -19.343 1.00 0.00 C ATOM 210 C ALA A 15 13.494 -20.722 -20.421 1.00 0.00 C ATOM 211 O ALA A 15 12.844 -20.842 -21.463 1.00 0.00 O ATOM 212 CB ALA A 15 14.632 -22.708 -19.441 1.00 0.00 C ATOM 0 H ALA A 15 11.624 -22.311 -20.310 1.00 0.00 H new ATOM 0 HA ALA A 15 13.415 -21.321 -18.360 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.542 -22.117 -19.334 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.589 -23.456 -18.649 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.635 -23.206 -20.411 1.00 0.00 H new ATOM 218 N LEU A 16 14.295 -19.696 -20.183 1.00 0.00 N ATOM 219 CA LEU A 16 14.464 -18.604 -21.139 1.00 0.00 C ATOM 220 C LEU A 16 15.265 -19.062 -22.348 1.00 0.00 C ATOM 221 O LEU A 16 16.480 -19.243 -22.265 1.00 0.00 O ATOM 222 CB LEU A 16 15.202 -17.440 -20.473 1.00 0.00 C ATOM 223 CG LEU A 16 14.497 -16.760 -19.309 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.409 -15.724 -18.676 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.220 -16.111 -19.783 1.00 0.00 C ATOM 0 H LEU A 16 14.844 -19.593 -19.330 1.00 0.00 H new ATOM 0 HA LEU A 16 13.474 -18.285 -21.465 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.166 -17.806 -20.120 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.406 -16.687 -21.234 1.00 0.00 H new ATOM 0 HG LEU A 16 14.251 -17.513 -18.560 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.893 -15.244 -17.844 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.313 -16.210 -18.310 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.677 -14.972 -19.419 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.724 -15.627 -18.942 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.451 -15.366 -20.545 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.561 -16.870 -20.205 1.00 0.00 H new ATOM 237 N ARG A 17 14.583 -19.265 -23.468 1.00 0.00 N ATOM 238 CA ARG A 17 15.263 -19.674 -24.688 1.00 0.00 C ATOM 239 C ARG A 17 16.112 -18.550 -25.280 1.00 0.00 C ATOM 240 O ARG A 17 17.255 -18.776 -25.684 1.00 0.00 O ATOM 241 CB ARG A 17 14.269 -20.218 -25.726 1.00 0.00 C ATOM 242 CG ARG A 17 14.899 -20.688 -27.049 1.00 0.00 C ATOM 243 CD ARG A 17 15.824 -21.896 -26.865 1.00 0.00 C ATOM 244 NE ARG A 17 17.083 -21.551 -26.181 1.00 0.00 N ATOM 245 CZ ARG A 17 17.910 -22.433 -25.609 1.00 0.00 C ATOM 246 NH1 ARG A 17 17.624 -23.729 -25.634 1.00 0.00 N ATOM 247 NH2 ARG A 17 19.025 -22.012 -25.017 1.00 0.00 N ATOM 0 H ARG A 17 13.573 -19.155 -23.556 1.00 0.00 H new ATOM 0 HA ARG A 17 15.943 -20.481 -24.414 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.726 -21.053 -25.283 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.536 -19.442 -25.946 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.107 -20.945 -27.753 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.464 -19.867 -27.490 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.303 -22.663 -26.292 1.00 0.00 H new ATOM 0 HD3 ARG A 17 16.052 -22.326 -27.840 1.00 0.00 H new ATOM 0 HE ARG A 17 17.343 -20.566 -26.141 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.772 -24.054 -26.090 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.256 -24.399 -25.197 1.00 0.00 H new ATOM 0 HH21 ARG A 17 19.249 -21.017 -25.000 1.00 0.00 H new ATOM 0 HH22 ARG A 17 19.656 -22.684 -24.581 1.00 0.00 H new ATOM 261 N GLU A 18 15.560 -17.348 -25.335 1.00 0.00 N ATOM 262 CA GLU A 18 16.291 -16.224 -25.918 1.00 0.00 C ATOM 263 C GLU A 18 16.644 -15.178 -24.868 1.00 0.00 C ATOM 264 O GLU A 18 17.523 -14.345 -25.083 1.00 0.00 O ATOM 265 CB GLU A 18 15.469 -15.586 -27.035 1.00 0.00 C ATOM 266 CG GLU A 18 15.198 -16.516 -28.209 1.00 0.00 C ATOM 267 CD GLU A 18 16.457 -16.962 -28.902 1.00 0.00 C ATOM 268 OE1 GLU A 18 17.202 -16.108 -29.410 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.718 -18.180 -28.952 1.00 0.00 O ATOM 0 H GLU A 18 14.626 -17.123 -24.991 1.00 0.00 H new ATOM 0 HA GLU A 18 17.223 -16.612 -26.329 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.517 -15.248 -26.625 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.992 -14.701 -27.398 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.654 -17.392 -27.855 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.553 -16.009 -28.927 1.00 0.00 H new ATOM 276 N ALA A 19 15.965 -15.256 -23.728 1.00 0.00 N ATOM 277 CA ALA A 19 16.146 -14.334 -22.604 1.00 0.00 C ATOM 278 C ALA A 19 16.094 -12.854 -23.011 1.00 0.00 C ATOM 279 O ALA A 19 17.131 -12.211 -23.186 1.00 0.00 O ATOM 280 CB ALA A 19 17.424 -14.643 -21.832 1.00 0.00 C ATOM 0 H ALA A 19 15.261 -15.973 -23.553 1.00 0.00 H new ATOM 0 HA ALA A 19 15.293 -14.499 -21.945 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.528 -13.941 -21.005 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.376 -15.659 -21.441 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.282 -14.550 -22.497 1.00 0.00 H new ATOM 286 N VAL A 20 14.893 -12.325 -23.171 1.00 0.00 N ATOM 287 CA VAL A 20 14.725 -10.906 -23.437 1.00 0.00 C ATOM 288 C VAL A 20 14.249 -10.185 -22.182 1.00 0.00 C ATOM 289 O VAL A 20 13.187 -10.486 -21.631 1.00 0.00 O ATOM 290 CB VAL A 20 13.806 -10.592 -24.661 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.442 -11.101 -25.946 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.410 -11.177 -24.495 1.00 0.00 C ATOM 0 H VAL A 20 14.022 -12.854 -23.122 1.00 0.00 H new ATOM 0 HA VAL A 20 15.708 -10.528 -23.717 1.00 0.00 H new ATOM 0 HB VAL A 20 13.701 -9.509 -24.717 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.790 -10.875 -26.789 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.406 -10.614 -26.092 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.586 -12.179 -25.878 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.807 -10.933 -25.370 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.479 -12.260 -24.392 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.943 -10.757 -23.604 1.00 0.00 H new ATOM 302 N GLN A 21 15.081 -9.290 -21.704 1.00 0.00 N ATOM 303 CA GLN A 21 14.826 -8.548 -20.488 1.00 0.00 C ATOM 304 C GLN A 21 13.889 -7.371 -20.740 1.00 0.00 C ATOM 305 O GLN A 21 14.032 -6.653 -21.734 1.00 0.00 O ATOM 306 CB GLN A 21 16.148 -8.065 -19.907 1.00 0.00 C ATOM 307 CG GLN A 21 16.032 -7.351 -18.578 1.00 0.00 C ATOM 308 CD GLN A 21 17.363 -6.835 -18.106 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.087 -7.519 -17.384 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.701 -5.635 -18.512 1.00 0.00 N ATOM 0 H GLN A 21 15.966 -9.052 -22.153 1.00 0.00 H new ATOM 0 HA GLN A 21 14.333 -9.208 -19.774 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.811 -8.922 -19.787 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.621 -7.394 -20.624 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.332 -6.521 -18.671 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.621 -8.033 -17.833 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.070 -5.102 -19.110 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.595 -5.234 -18.229 1.00 0.00 H new ATOM 319 N THR A 22 12.934 -7.192 -19.857 1.00 0.00 N ATOM 320 CA THR A 22 12.029 -6.076 -19.916 1.00 0.00 C ATOM 321 C THR A 22 12.441 -5.035 -18.865 1.00 0.00 C ATOM 322 O THR A 22 13.067 -5.390 -17.856 1.00 0.00 O ATOM 323 CB THR A 22 10.577 -6.542 -19.648 1.00 0.00 C ATOM 324 OG1 THR A 22 10.482 -7.129 -18.339 1.00 0.00 O ATOM 325 CG2 THR A 22 10.148 -7.570 -20.685 1.00 0.00 C ATOM 0 H THR A 22 12.765 -7.823 -19.074 1.00 0.00 H new ATOM 0 HA THR A 22 12.073 -5.634 -20.911 1.00 0.00 H new ATOM 0 HB THR A 22 9.922 -5.673 -19.710 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.104 -6.476 -17.714 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.125 -7.887 -20.482 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.200 -7.127 -21.680 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.811 -8.434 -20.637 1.00 0.00 H new ATOM 333 N PRO A 23 12.103 -3.743 -19.075 1.00 0.00 N ATOM 334 CA PRO A 23 12.460 -2.656 -18.143 1.00 0.00 C ATOM 335 C PRO A 23 11.924 -2.887 -16.727 1.00 0.00 C ATOM 336 O PRO A 23 12.521 -2.440 -15.747 1.00 0.00 O ATOM 337 CB PRO A 23 11.791 -1.425 -18.759 1.00 0.00 C ATOM 338 CG PRO A 23 11.655 -1.758 -20.197 1.00 0.00 C ATOM 339 CD PRO A 23 11.364 -3.227 -20.243 1.00 0.00 C ATOM 0 HA PRO A 23 13.540 -2.569 -18.028 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.820 -1.231 -18.303 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.396 -0.530 -18.614 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.851 -1.184 -20.658 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.569 -1.522 -20.742 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.296 -3.430 -20.168 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.710 -3.679 -21.173 1.00 0.00 H new ATOM 347 N CYS A 24 10.798 -3.591 -16.624 1.00 0.00 N ATOM 348 CA CYS A 24 10.166 -3.835 -15.336 1.00 0.00 C ATOM 349 C CYS A 24 10.992 -4.788 -14.449 1.00 0.00 C ATOM 350 O CYS A 24 10.762 -4.875 -13.234 1.00 0.00 O ATOM 351 CB CYS A 24 8.731 -4.341 -15.515 1.00 0.00 C ATOM 352 SG CYS A 24 8.568 -5.852 -16.519 1.00 0.00 S ATOM 0 H CYS A 24 10.307 -4.001 -17.419 1.00 0.00 H new ATOM 0 HA CYS A 24 10.125 -2.879 -14.814 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.302 -4.529 -14.531 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.138 -3.551 -15.975 1.00 0.00 H new ATOM 357 N GLY A 25 11.945 -5.490 -15.052 1.00 0.00 N ATOM 358 CA GLY A 25 12.801 -6.376 -14.283 1.00 0.00 C ATOM 359 C GLY A 25 12.496 -7.841 -14.507 1.00 0.00 C ATOM 360 O GLY A 25 12.892 -8.694 -13.717 1.00 0.00 O ATOM 0 H GLY A 25 12.140 -5.463 -16.053 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.841 -6.184 -14.545 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.692 -6.147 -13.223 1.00 0.00 H new ATOM 364 N HIS A 26 11.795 -8.139 -15.576 1.00 0.00 N ATOM 365 CA HIS A 26 11.458 -9.510 -15.902 1.00 0.00 C ATOM 366 C HIS A 26 12.145 -9.936 -17.185 1.00 0.00 C ATOM 367 O HIS A 26 12.529 -9.104 -17.994 1.00 0.00 O ATOM 368 CB HIS A 26 9.936 -9.715 -15.999 1.00 0.00 C ATOM 369 CG HIS A 26 9.221 -9.610 -14.686 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.481 -8.498 -14.294 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.140 -10.487 -13.660 1.00 0.00 C ATOM 372 CE1 HIS A 26 7.992 -8.716 -13.079 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.374 -9.907 -12.680 1.00 0.00 N ATOM 0 H HIS A 26 11.444 -7.448 -16.239 1.00 0.00 H new ATOM 0 HA HIS A 26 11.818 -10.142 -15.090 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.523 -8.976 -16.686 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.739 -10.696 -16.431 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.595 -11.466 -13.619 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.382 -8.028 -12.513 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.139 -10.334 -11.784 1.00 0.00 H new ATOM 380 N ARG A 27 12.343 -11.221 -17.347 1.00 0.00 N ATOM 381 CA ARG A 27 12.936 -11.753 -18.558 1.00 0.00 C ATOM 382 C ARG A 27 12.039 -12.827 -19.136 1.00 0.00 C ATOM 383 O ARG A 27 11.525 -13.671 -18.398 1.00 0.00 O ATOM 384 CB ARG A 27 14.350 -12.299 -18.283 1.00 0.00 C ATOM 385 CG ARG A 27 15.369 -11.226 -17.912 1.00 0.00 C ATOM 386 CD ARG A 27 16.731 -11.813 -17.568 1.00 0.00 C ATOM 387 NE ARG A 27 16.694 -12.577 -16.320 1.00 0.00 N ATOM 388 CZ ARG A 27 17.737 -13.199 -15.761 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.926 -13.195 -16.356 1.00 0.00 N ATOM 390 NH2 ARG A 27 17.580 -13.838 -14.617 1.00 0.00 N ATOM 0 H ARG A 27 12.101 -11.927 -16.651 1.00 0.00 H new ATOM 0 HA ARG A 27 13.033 -10.949 -19.288 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.296 -13.029 -17.475 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.702 -12.829 -19.168 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.476 -10.528 -18.742 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.997 -10.654 -17.061 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.064 -12.459 -18.380 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.462 -11.009 -17.480 1.00 0.00 H new ATOM 0 HE ARG A 27 15.798 -12.640 -15.837 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.049 -12.714 -17.247 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.715 -13.673 -15.921 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.666 -13.856 -14.164 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.372 -14.314 -14.186 1.00 0.00 H new ATOM 404 N PHE A 28 11.853 -12.800 -20.445 1.00 0.00 N ATOM 405 CA PHE A 28 10.953 -13.730 -21.124 1.00 0.00 C ATOM 406 C PHE A 28 11.599 -14.284 -22.385 1.00 0.00 C ATOM 407 O PHE A 28 12.653 -13.806 -22.811 1.00 0.00 O ATOM 408 CB PHE A 28 9.626 -13.051 -21.481 1.00 0.00 C ATOM 409 CG PHE A 28 8.849 -12.543 -20.298 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.063 -13.401 -19.545 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.897 -11.205 -19.947 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.342 -12.932 -18.464 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.183 -10.731 -18.868 1.00 0.00 C ATOM 414 CZ PHE A 28 7.403 -11.596 -18.125 1.00 0.00 C ATOM 0 H PHE A 28 12.316 -12.139 -21.068 1.00 0.00 H new ATOM 0 HA PHE A 28 10.752 -14.552 -20.437 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.828 -12.217 -22.153 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.006 -13.759 -22.030 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.014 -14.448 -19.806 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.502 -10.523 -20.526 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.732 -13.610 -17.885 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.233 -9.685 -18.604 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.842 -11.227 -17.280 1.00 0.00 H new ATOM 424 N CYS A 29 11.001 -15.312 -22.957 1.00 0.00 N ATOM 425 CA CYS A 29 11.470 -15.857 -24.218 1.00 0.00 C ATOM 426 C CYS A 29 10.955 -15.006 -25.381 1.00 0.00 C ATOM 427 O CYS A 29 9.922 -14.340 -25.262 1.00 0.00 O ATOM 428 CB CYS A 29 11.006 -17.299 -24.385 1.00 0.00 C ATOM 429 SG CYS A 29 11.462 -18.404 -23.013 1.00 0.00 S ATOM 0 H CYS A 29 10.187 -15.788 -22.568 1.00 0.00 H new ATOM 0 HA CYS A 29 12.560 -15.840 -24.217 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.922 -17.308 -24.496 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.424 -17.697 -25.309 1.00 0.00 H new ATOM 434 N LYS A 30 11.659 -15.062 -26.502 1.00 0.00 N ATOM 435 CA LYS A 30 11.393 -14.211 -27.666 1.00 0.00 C ATOM 436 C LYS A 30 10.075 -14.580 -28.357 1.00 0.00 C ATOM 437 O LYS A 30 9.566 -13.834 -29.188 1.00 0.00 O ATOM 438 CB LYS A 30 12.566 -14.301 -28.644 1.00 0.00 C ATOM 439 CG LYS A 30 12.481 -13.389 -29.854 1.00 0.00 C ATOM 440 CD LYS A 30 13.723 -13.526 -30.714 1.00 0.00 C ATOM 441 CE LYS A 30 13.681 -12.603 -31.914 1.00 0.00 C ATOM 442 NZ LYS A 30 14.920 -12.697 -32.718 1.00 0.00 N ATOM 0 H LYS A 30 12.440 -15.704 -26.636 1.00 0.00 H new ATOM 0 HA LYS A 30 11.290 -13.183 -27.320 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.485 -14.074 -28.104 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.648 -15.331 -28.992 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.597 -13.636 -30.441 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.369 -12.355 -29.529 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.606 -13.303 -30.115 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.819 -14.558 -31.052 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.823 -12.854 -32.537 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.542 -11.575 -31.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.856 -12.052 -33.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.736 -12.433 -32.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.040 -13.672 -33.059 1.00 0.00 H new ATOM 456 N ALA A 31 9.515 -15.713 -28.007 1.00 0.00 N ATOM 457 CA ALA A 31 8.248 -16.113 -28.592 1.00 0.00 C ATOM 458 C ALA A 31 7.168 -16.135 -27.532 1.00 0.00 C ATOM 459 O ALA A 31 5.982 -16.041 -27.838 1.00 0.00 O ATOM 460 CB ALA A 31 8.373 -17.477 -29.252 1.00 0.00 C ATOM 0 H ALA A 31 9.906 -16.369 -27.331 1.00 0.00 H new ATOM 0 HA ALA A 31 7.972 -15.386 -29.356 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.414 -17.761 -29.685 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.127 -17.433 -30.038 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.668 -18.216 -28.507 1.00 0.00 H new ATOM 466 N CYS A 32 7.583 -16.222 -26.284 1.00 0.00 N ATOM 467 CA CYS A 32 6.653 -16.218 -25.182 1.00 0.00 C ATOM 468 C CYS A 32 6.054 -14.831 -24.983 1.00 0.00 C ATOM 469 O CYS A 32 4.832 -14.664 -24.978 1.00 0.00 O ATOM 470 CB CYS A 32 7.356 -16.678 -23.908 1.00 0.00 C ATOM 471 SG CYS A 32 7.907 -18.413 -23.944 1.00 0.00 S ATOM 0 H CYS A 32 8.563 -16.296 -26.011 1.00 0.00 H new ATOM 0 HA CYS A 32 5.841 -16.908 -25.411 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.220 -16.038 -23.732 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.680 -16.541 -23.064 1.00 0.00 H new ATOM 476 N ILE A 33 6.920 -13.835 -24.838 1.00 0.00 N ATOM 477 CA ILE A 33 6.470 -12.481 -24.553 1.00 0.00 C ATOM 478 C ILE A 33 5.716 -11.860 -25.733 1.00 0.00 C ATOM 479 O ILE A 33 4.695 -11.205 -25.544 1.00 0.00 O ATOM 480 CB ILE A 33 7.623 -11.555 -24.071 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.075 -10.216 -23.560 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.667 -11.338 -25.160 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.154 -10.345 -22.362 1.00 0.00 C ATOM 0 H ILE A 33 7.932 -13.940 -24.913 1.00 0.00 H new ATOM 0 HA ILE A 33 5.766 -12.569 -23.726 1.00 0.00 H new ATOM 0 HB ILE A 33 8.119 -12.059 -23.241 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.912 -9.570 -23.295 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.536 -9.723 -24.369 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.455 -10.686 -24.784 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.097 -12.297 -25.449 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.197 -10.875 -26.028 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.809 -9.356 -22.060 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.297 -10.964 -22.627 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.694 -10.808 -21.536 1.00 0.00 H new ATOM 495 N ILE A 34 6.196 -12.107 -26.948 1.00 0.00 N ATOM 496 CA ILE A 34 5.568 -11.546 -28.135 1.00 0.00 C ATOM 497 C ILE A 34 4.142 -12.058 -28.296 1.00 0.00 C ATOM 498 O ILE A 34 3.224 -11.284 -28.550 1.00 0.00 O ATOM 499 CB ILE A 34 6.396 -11.762 -29.432 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.688 -10.933 -29.373 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.582 -11.390 -30.668 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.649 -11.193 -30.515 1.00 0.00 C ATOM 0 H ILE A 34 7.013 -12.689 -27.134 1.00 0.00 H new ATOM 0 HA ILE A 34 5.532 -10.468 -27.979 1.00 0.00 H new ATOM 0 HB ILE A 34 6.654 -12.819 -29.504 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.427 -9.875 -29.367 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.196 -11.141 -28.431 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.184 -11.550 -31.562 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.688 -12.012 -30.716 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.291 -10.341 -30.610 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.533 -10.567 -30.396 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.944 -12.242 -30.511 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.162 -10.957 -31.461 1.00 0.00 H new ATOM 514 N LYS A 35 3.947 -13.346 -28.071 1.00 0.00 N ATOM 515 CA LYS A 35 2.638 -13.952 -28.256 1.00 0.00 C ATOM 516 C LYS A 35 1.730 -13.644 -27.052 1.00 0.00 C ATOM 517 O LYS A 35 0.557 -14.001 -27.027 1.00 0.00 O ATOM 518 CB LYS A 35 2.778 -15.471 -28.484 1.00 0.00 C ATOM 519 CG LYS A 35 1.463 -16.199 -28.753 1.00 0.00 C ATOM 520 CD LYS A 35 0.810 -15.725 -30.045 1.00 0.00 C ATOM 521 CE LYS A 35 -0.567 -16.349 -30.239 1.00 0.00 C ATOM 522 NZ LYS A 35 -0.515 -17.828 -30.344 1.00 0.00 N ATOM 0 H LYS A 35 4.674 -13.991 -27.761 1.00 0.00 H new ATOM 0 HA LYS A 35 2.171 -13.523 -29.143 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.449 -15.638 -29.327 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.250 -15.914 -27.607 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.646 -17.272 -28.810 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.780 -16.036 -27.919 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.719 -14.639 -30.030 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.448 -15.980 -30.891 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.209 -16.070 -29.403 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.023 -15.940 -31.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.461 -18.193 -30.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.154 -18.100 -31.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.202 -18.230 -29.437 1.00 0.00 H new ATOM 536 N SER A 36 2.268 -12.928 -26.084 1.00 0.00 N ATOM 537 CA SER A 36 1.506 -12.545 -24.921 1.00 0.00 C ATOM 538 C SER A 36 1.110 -11.072 -25.035 1.00 0.00 C ATOM 539 O SER A 36 0.072 -10.654 -24.521 1.00 0.00 O ATOM 540 CB SER A 36 2.348 -12.771 -23.654 1.00 0.00 C ATOM 541 OG SER A 36 1.623 -12.457 -22.477 1.00 0.00 O ATOM 0 H SER A 36 3.234 -12.601 -26.084 1.00 0.00 H new ATOM 0 HA SER A 36 0.604 -13.153 -24.858 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.673 -13.811 -23.614 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.248 -12.157 -23.701 1.00 0.00 H new ATOM 0 HG SER A 36 2.189 -12.614 -21.692 1.00 0.00 H new ATOM 547 N ILE A 37 1.887 -10.304 -25.784 1.00 0.00 N ATOM 548 CA ILE A 37 1.617 -8.883 -25.898 1.00 0.00 C ATOM 549 C ILE A 37 0.953 -8.547 -27.227 1.00 0.00 C ATOM 550 O ILE A 37 0.518 -7.423 -27.443 1.00 0.00 O ATOM 551 CB ILE A 37 2.895 -8.023 -25.709 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.957 -8.378 -26.758 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.444 -8.186 -24.294 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.188 -7.496 -26.716 1.00 0.00 C ATOM 0 H ILE A 37 2.695 -10.635 -26.312 1.00 0.00 H new ATOM 0 HA ILE A 37 0.928 -8.637 -25.090 1.00 0.00 H new ATOM 0 HB ILE A 37 2.627 -6.976 -25.852 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.261 -9.415 -26.615 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.509 -8.311 -27.750 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.340 -7.576 -24.179 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.692 -7.866 -23.573 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.693 -9.233 -24.118 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.889 -7.813 -27.488 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.899 -6.460 -26.891 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.663 -7.580 -25.738 1.00 0.00 H new ATOM 566 N ARG A 38 0.864 -9.529 -28.110 1.00 0.00 N ATOM 567 CA ARG A 38 0.106 -9.352 -29.343 1.00 0.00 C ATOM 568 C ARG A 38 -1.263 -10.021 -29.207 1.00 0.00 C ATOM 569 O ARG A 38 -2.088 -9.959 -30.113 1.00 0.00 O ATOM 570 CB ARG A 38 0.861 -9.915 -30.565 1.00 0.00 C ATOM 571 CG ARG A 38 0.994 -11.434 -30.589 1.00 0.00 C ATOM 572 CD ARG A 38 1.768 -11.909 -31.815 1.00 0.00 C ATOM 573 NE ARG A 38 1.062 -11.612 -33.066 1.00 0.00 N ATOM 574 CZ ARG A 38 1.516 -11.905 -34.292 1.00 0.00 C ATOM 575 NH1 ARG A 38 2.665 -12.552 -34.447 1.00 0.00 N ATOM 576 NH2 ARG A 38 0.808 -11.558 -35.362 1.00 0.00 N ATOM 0 H ARG A 38 1.299 -10.445 -28.001 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.026 -8.283 -29.508 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.347 -9.595 -31.471 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.858 -9.476 -30.592 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.501 -11.770 -29.685 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.003 -11.887 -30.585 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.748 -11.432 -31.831 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.937 -12.983 -31.742 1.00 0.00 H new ATOM 0 HE ARG A 38 0.157 -11.147 -32.997 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.208 -12.829 -33.630 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.004 -12.772 -35.383 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.080 -11.069 -35.249 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.153 -11.781 -36.296 1.00 0.00 H new ATOM 590 N ASP A 39 -1.487 -10.668 -28.066 1.00 0.00 N ATOM 591 CA ASP A 39 -2.759 -11.344 -27.818 1.00 0.00 C ATOM 592 C ASP A 39 -3.502 -10.730 -26.644 1.00 0.00 C ATOM 593 O ASP A 39 -4.671 -10.372 -26.760 1.00 0.00 O ATOM 594 CB ASP A 39 -2.569 -12.845 -27.589 1.00 0.00 C ATOM 595 CG ASP A 39 -3.892 -13.555 -27.350 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.650 -13.763 -28.322 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.194 -13.896 -26.189 1.00 0.00 O ATOM 0 H ASP A 39 -0.812 -10.739 -27.305 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.362 -11.208 -28.716 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.073 -13.284 -28.454 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.913 -13.001 -26.732 1.00 0.00 H new ATOM 602 N ALA A 40 -2.828 -10.616 -25.509 1.00 0.00 N ATOM 603 CA ALA A 40 -3.447 -10.042 -24.329 1.00 0.00 C ATOM 604 C ALA A 40 -3.376 -8.529 -24.383 1.00 0.00 C ATOM 605 O ALA A 40 -4.390 -7.850 -24.562 1.00 0.00 O ATOM 606 CB ALA A 40 -2.793 -10.576 -23.063 1.00 0.00 C ATOM 0 H ALA A 40 -1.860 -10.912 -25.383 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.497 -10.335 -24.309 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.273 -10.132 -22.191 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.903 -11.660 -23.026 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.734 -10.319 -23.064 1.00 0.00 H new ATOM 612 N GLY A 41 -2.182 -8.005 -24.236 1.00 0.00 N ATOM 613 CA GLY A 41 -1.972 -6.586 -24.318 1.00 0.00 C ATOM 614 C GLY A 41 -0.513 -6.274 -24.191 1.00 0.00 C ATOM 615 O GLY A 41 0.265 -7.144 -23.797 1.00 0.00 O ATOM 0 H GLY A 41 -1.337 -8.548 -24.058 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.351 -6.209 -25.268 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.530 -6.082 -23.529 1.00 0.00 H new ATOM 619 N HIS A 42 -0.126 -5.056 -24.499 1.00 0.00 N ATOM 620 CA HIS A 42 1.272 -4.673 -24.414 1.00 0.00 C ATOM 621 C HIS A 42 1.670 -4.323 -22.993 1.00 0.00 C ATOM 622 O HIS A 42 1.938 -3.166 -22.659 1.00 0.00 O ATOM 623 CB HIS A 42 1.630 -3.553 -25.404 1.00 0.00 C ATOM 624 CG HIS A 42 1.622 -3.996 -26.837 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.535 -3.851 -27.669 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.578 -4.594 -27.578 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.821 -4.344 -28.856 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.058 -4.800 -28.828 1.00 0.00 N ATOM 0 H HIS A 42 -0.754 -4.314 -24.810 1.00 0.00 H new ATOM 0 HA HIS A 42 1.858 -5.544 -24.708 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.924 -2.732 -25.282 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.618 -3.163 -25.158 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.571 -4.861 -27.246 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.156 -4.370 -29.707 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.548 -5.235 -29.610 1.00 0.00 H new ATOM 637 N LYS A 43 1.661 -5.328 -22.151 1.00 0.00 N ATOM 638 CA LYS A 43 2.068 -5.197 -20.780 1.00 0.00 C ATOM 639 C LYS A 43 2.689 -6.497 -20.315 1.00 0.00 C ATOM 640 O LYS A 43 2.446 -7.553 -20.909 1.00 0.00 O ATOM 641 CB LYS A 43 0.888 -4.802 -19.868 1.00 0.00 C ATOM 642 CG LYS A 43 -0.201 -5.862 -19.712 1.00 0.00 C ATOM 643 CD LYS A 43 -1.303 -5.365 -18.784 1.00 0.00 C ATOM 644 CE LYS A 43 -2.318 -6.456 -18.456 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.098 -6.890 -19.640 1.00 0.00 N ATOM 0 H LYS A 43 1.366 -6.271 -22.406 1.00 0.00 H new ATOM 0 HA LYS A 43 2.804 -4.396 -20.715 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.279 -4.559 -18.880 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.433 -3.893 -20.263 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.622 -6.105 -20.688 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.231 -6.780 -19.313 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.858 -4.996 -17.860 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.815 -4.523 -19.250 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.797 -7.316 -18.035 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.002 -6.091 -17.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.771 -7.631 -19.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.619 -6.078 -20.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.452 -7.265 -20.363 1.00 0.00 H new ATOM 659 N CYS A 44 3.499 -6.417 -19.286 1.00 0.00 N ATOM 660 CA CYS A 44 4.094 -7.587 -18.684 1.00 0.00 C ATOM 661 C CYS A 44 2.993 -8.454 -18.069 1.00 0.00 C ATOM 662 O CYS A 44 2.172 -7.959 -17.298 1.00 0.00 O ATOM 663 CB CYS A 44 5.094 -7.147 -17.607 1.00 0.00 C ATOM 664 SG CYS A 44 5.951 -8.498 -16.711 1.00 0.00 S ATOM 0 H CYS A 44 3.765 -5.538 -18.842 1.00 0.00 H new ATOM 0 HA CYS A 44 4.621 -8.170 -19.439 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.847 -6.513 -18.075 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.566 -6.531 -16.878 1.00 0.00 H new ATOM 669 N PRO A 45 2.941 -9.743 -18.412 1.00 0.00 N ATOM 670 CA PRO A 45 1.926 -10.658 -17.878 1.00 0.00 C ATOM 671 C PRO A 45 2.040 -10.837 -16.362 1.00 0.00 C ATOM 672 O PRO A 45 1.052 -11.114 -15.685 1.00 0.00 O ATOM 673 CB PRO A 45 2.221 -11.981 -18.600 1.00 0.00 C ATOM 674 CG PRO A 45 3.645 -11.866 -19.014 1.00 0.00 C ATOM 675 CD PRO A 45 3.847 -10.422 -19.356 1.00 0.00 C ATOM 0 HA PRO A 45 0.916 -10.284 -18.043 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.066 -12.836 -17.942 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.567 -12.119 -19.461 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.313 -12.176 -18.211 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.858 -12.506 -19.871 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.883 -10.113 -19.218 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.586 -10.210 -20.393 1.00 0.00 H new ATOM 683 N VAL A 46 3.240 -10.650 -15.832 1.00 0.00 N ATOM 684 CA VAL A 46 3.479 -10.871 -14.416 1.00 0.00 C ATOM 685 C VAL A 46 3.005 -9.684 -13.566 1.00 0.00 C ATOM 686 O VAL A 46 1.994 -9.779 -12.865 1.00 0.00 O ATOM 687 CB VAL A 46 4.968 -11.179 -14.116 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.168 -11.469 -12.633 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.449 -12.352 -14.956 1.00 0.00 C ATOM 0 H VAL A 46 4.059 -10.347 -16.359 1.00 0.00 H new ATOM 0 HA VAL A 46 2.891 -11.747 -14.142 1.00 0.00 H new ATOM 0 HB VAL A 46 5.559 -10.301 -14.377 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.220 -11.683 -12.443 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.863 -10.601 -12.048 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.565 -12.330 -12.346 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.496 -12.554 -14.732 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.852 -13.234 -14.725 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.344 -12.110 -16.013 1.00 0.00 H new ATOM 699 N ASP A 47 3.717 -8.567 -13.644 1.00 0.00 N ATOM 700 CA ASP A 47 3.419 -7.407 -12.790 1.00 0.00 C ATOM 701 C ASP A 47 2.580 -6.360 -13.512 1.00 0.00 C ATOM 702 O ASP A 47 2.306 -5.298 -12.973 1.00 0.00 O ATOM 703 CB ASP A 47 4.706 -6.780 -12.212 1.00 0.00 C ATOM 704 CG ASP A 47 5.729 -6.367 -13.262 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.531 -6.649 -14.459 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.766 -5.805 -12.905 1.00 0.00 O ATOM 0 H ASP A 47 4.501 -8.432 -14.283 1.00 0.00 H new ATOM 0 HA ASP A 47 2.824 -7.780 -11.957 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.436 -5.905 -11.621 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.170 -7.494 -11.531 1.00 0.00 H new ATOM 711 N ASN A 48 2.159 -6.696 -14.721 1.00 0.00 N ATOM 712 CA ASN A 48 1.222 -5.888 -15.517 1.00 0.00 C ATOM 713 C ASN A 48 1.716 -4.462 -15.762 1.00 0.00 C ATOM 714 O ASN A 48 0.922 -3.529 -15.870 1.00 0.00 O ATOM 715 CB ASN A 48 -0.176 -5.881 -14.882 1.00 0.00 C ATOM 716 CG ASN A 48 -0.847 -7.253 -14.883 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.496 -8.105 -15.838 1.00 0.00 O flip ATOM 718 ND2 ASN A 48 -1.665 -7.550 -14.017 1.00 0.00 N flip ATOM 0 H ASN A 48 2.458 -7.550 -15.193 1.00 0.00 H new ATOM 0 HA ASN A 48 1.161 -6.366 -16.495 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.099 -5.523 -13.855 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.808 -5.175 -15.420 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.914 -6.872 -13.296 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.096 -8.474 -14.018 1.00 0.00 H new ATOM 725 N GLU A 49 3.014 -4.305 -15.890 1.00 0.00 N ATOM 726 CA GLU A 49 3.582 -3.007 -16.204 1.00 0.00 C ATOM 727 C GLU A 49 3.592 -2.821 -17.714 1.00 0.00 C ATOM 728 O GLU A 49 3.726 -3.798 -18.451 1.00 0.00 O ATOM 729 CB GLU A 49 4.993 -2.886 -15.632 1.00 0.00 C ATOM 730 CG GLU A 49 5.039 -2.970 -14.115 1.00 0.00 C ATOM 731 CD GLU A 49 4.261 -1.864 -13.444 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.580 -0.685 -13.661 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.321 -2.160 -12.685 1.00 0.00 O ATOM 0 H GLU A 49 3.697 -5.055 -15.783 1.00 0.00 H new ATOM 0 HA GLU A 49 2.973 -2.225 -15.751 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.616 -3.676 -16.051 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.425 -1.937 -15.949 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.640 -3.933 -13.797 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.077 -2.930 -13.785 1.00 0.00 H new ATOM 740 N ILE A 50 3.450 -1.584 -18.173 1.00 0.00 N ATOM 741 CA ILE A 50 3.309 -1.300 -19.604 1.00 0.00 C ATOM 742 C ILE A 50 4.592 -1.651 -20.341 1.00 0.00 C ATOM 743 O ILE A 50 5.671 -1.144 -20.011 1.00 0.00 O ATOM 744 CB ILE A 50 2.921 0.183 -19.905 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.549 0.555 -19.304 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.913 0.445 -21.409 1.00 0.00 C ATOM 747 CD1 ILE A 50 1.536 0.755 -17.802 1.00 0.00 C ATOM 0 H ILE A 50 3.429 -0.756 -17.577 1.00 0.00 H new ATOM 0 HA ILE A 50 2.488 -1.923 -19.959 1.00 0.00 H new ATOM 0 HB ILE A 50 3.677 0.811 -19.433 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.198 1.471 -19.780 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.835 -0.229 -19.556 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.640 1.484 -21.596 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.905 0.251 -21.817 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.188 -0.212 -21.889 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.528 1.013 -17.478 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.851 -0.165 -17.310 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.220 1.561 -17.536 1.00 0.00 H new ATOM 759 N LEU A 51 4.479 -2.519 -21.315 1.00 0.00 N ATOM 760 CA LEU A 51 5.635 -3.009 -22.009 1.00 0.00 C ATOM 761 C LEU A 51 5.534 -2.725 -23.501 1.00 0.00 C ATOM 762 O LEU A 51 4.557 -3.091 -24.151 1.00 0.00 O ATOM 763 CB LEU A 51 5.782 -4.505 -21.744 1.00 0.00 C ATOM 764 CG LEU A 51 6.947 -5.214 -22.418 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.270 -4.620 -21.967 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.890 -6.696 -22.105 1.00 0.00 C ATOM 0 H LEU A 51 3.592 -2.900 -21.644 1.00 0.00 H new ATOM 0 HA LEU A 51 6.521 -2.493 -21.640 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.873 -4.651 -20.668 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.860 -4.996 -22.055 1.00 0.00 H new ATOM 0 HG LEU A 51 6.870 -5.077 -23.497 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.090 -5.141 -22.461 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.302 -3.562 -22.229 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.369 -4.729 -20.887 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.725 -7.202 -22.589 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.952 -6.843 -21.027 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.952 -7.110 -22.474 1.00 0.00 H new ATOM 778 N LEU A 52 6.543 -2.077 -24.030 1.00 0.00 N ATOM 779 CA LEU A 52 6.613 -1.793 -25.446 1.00 0.00 C ATOM 780 C LEU A 52 7.477 -2.834 -26.133 1.00 0.00 C ATOM 781 O LEU A 52 8.377 -3.410 -25.524 1.00 0.00 O ATOM 782 CB LEU A 52 7.135 -0.368 -25.735 1.00 0.00 C ATOM 783 CG LEU A 52 6.240 0.821 -25.319 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.832 0.681 -25.876 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.215 1.020 -23.812 1.00 0.00 C ATOM 0 H LEU A 52 7.339 -1.731 -23.494 1.00 0.00 H new ATOM 0 HA LEU A 52 5.600 -1.840 -25.846 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.097 -0.255 -25.235 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.321 -0.289 -26.806 1.00 0.00 H new ATOM 0 HG LEU A 52 6.685 1.716 -25.755 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.231 1.535 -25.564 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.873 0.645 -26.965 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.381 -0.237 -25.500 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.573 1.867 -23.567 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.828 0.121 -23.333 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.226 1.216 -23.454 1.00 0.00 H new ATOM 797 N GLU A 53 7.203 -3.062 -27.392 1.00 0.00 N ATOM 798 CA GLU A 53 7.834 -4.124 -28.161 1.00 0.00 C ATOM 799 C GLU A 53 9.334 -3.882 -28.345 1.00 0.00 C ATOM 800 O GLU A 53 10.134 -4.818 -28.313 1.00 0.00 O ATOM 801 CB GLU A 53 7.116 -4.266 -29.494 1.00 0.00 C ATOM 802 CG GLU A 53 5.689 -4.760 -29.324 1.00 0.00 C ATOM 803 CD GLU A 53 4.896 -4.802 -30.605 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.218 -4.050 -31.545 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.919 -5.577 -30.670 1.00 0.00 O ATOM 0 H GLU A 53 6.529 -2.513 -27.926 1.00 0.00 H new ATOM 0 HA GLU A 53 7.746 -5.060 -27.609 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.108 -3.303 -30.005 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.666 -4.960 -30.130 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.711 -5.760 -28.890 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.175 -4.115 -28.612 1.00 0.00 H new ATOM 812 N ASN A 54 9.716 -2.624 -28.522 1.00 0.00 N ATOM 813 CA ASN A 54 11.134 -2.260 -28.673 1.00 0.00 C ATOM 814 C ASN A 54 11.895 -2.407 -27.351 1.00 0.00 C ATOM 815 O ASN A 54 13.126 -2.370 -27.323 1.00 0.00 O ATOM 816 CB ASN A 54 11.293 -0.827 -29.216 1.00 0.00 C ATOM 817 CG ASN A 54 10.851 0.249 -28.233 1.00 0.00 C ATOM 818 OD1 ASN A 54 11.638 0.728 -27.418 1.00 0.00 O ATOM 819 ND2 ASN A 54 9.601 0.646 -28.313 1.00 0.00 N ATOM 0 H ASN A 54 9.072 -1.834 -28.566 1.00 0.00 H new ATOM 0 HA ASN A 54 11.563 -2.953 -29.397 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.338 -0.661 -29.479 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.714 -0.729 -30.134 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.256 1.374 -27.687 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.976 0.227 -29.001 1.00 0.00 H new ATOM 826 N GLN A 55 11.156 -2.583 -26.263 1.00 0.00 N ATOM 827 CA GLN A 55 11.748 -2.715 -24.941 1.00 0.00 C ATOM 828 C GLN A 55 12.176 -4.147 -24.664 1.00 0.00 C ATOM 829 O GLN A 55 12.811 -4.417 -23.643 1.00 0.00 O ATOM 830 CB GLN A 55 10.783 -2.247 -23.857 1.00 0.00 C ATOM 831 CG GLN A 55 10.470 -0.766 -23.895 1.00 0.00 C ATOM 832 CD GLN A 55 9.464 -0.363 -22.834 1.00 0.00 C ATOM 833 OE1 GLN A 55 8.594 -1.144 -22.458 1.00 0.00 O ATOM 834 NE2 GLN A 55 9.578 0.848 -22.344 1.00 0.00 N ATOM 0 H GLN A 55 10.138 -2.638 -26.273 1.00 0.00 H new ATOM 0 HA GLN A 55 12.633 -2.079 -24.923 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.852 -2.805 -23.951 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.204 -2.492 -22.882 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.390 -0.199 -23.754 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.081 -0.504 -24.879 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.314 1.468 -22.682 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.931 1.170 -21.625 1.00 0.00 H new ATOM 843 N LEU A 56 11.807 -5.063 -25.553 1.00 0.00 N ATOM 844 CA LEU A 56 12.112 -6.477 -25.376 1.00 0.00 C ATOM 845 C LEU A 56 13.574 -6.763 -25.700 1.00 0.00 C ATOM 846 O LEU A 56 13.887 -7.245 -26.796 1.00 0.00 O ATOM 847 CB LEU A 56 11.212 -7.339 -26.269 1.00 0.00 C ATOM 848 CG LEU A 56 9.707 -7.191 -26.061 1.00 0.00 C ATOM 849 CD1 LEU A 56 8.945 -8.057 -27.050 1.00 0.00 C ATOM 850 CD2 LEU A 56 9.328 -7.537 -24.633 1.00 0.00 C ATOM 0 H LEU A 56 11.293 -4.849 -26.408 1.00 0.00 H new ATOM 0 HA LEU A 56 11.927 -6.728 -24.332 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.438 -7.104 -27.309 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.477 -8.385 -26.113 1.00 0.00 H new ATOM 0 HG LEU A 56 9.434 -6.151 -26.240 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.874 -7.939 -26.887 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.193 -7.753 -28.067 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.221 -9.102 -26.907 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.251 -7.425 -24.505 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.614 -8.567 -24.420 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.846 -6.867 -23.947 1.00 0.00 H new ATOM 862 N PHE A 57 14.452 -6.451 -24.744 1.00 0.00 N ATOM 863 CA PHE A 57 15.899 -6.632 -24.865 1.00 0.00 C ATOM 864 C PHE A 57 16.567 -5.899 -23.697 1.00 0.00 C ATOM 865 O PHE A 57 16.094 -4.835 -23.287 1.00 0.00 O ATOM 866 CB PHE A 57 16.414 -6.041 -26.205 1.00 0.00 C ATOM 867 CG PHE A 57 17.776 -6.522 -26.629 1.00 0.00 C ATOM 868 CD1 PHE A 57 17.941 -7.804 -27.134 1.00 0.00 C ATOM 869 CD2 PHE A 57 18.883 -5.700 -26.532 1.00 0.00 C ATOM 870 CE1 PHE A 57 19.184 -8.252 -27.530 1.00 0.00 C ATOM 871 CE2 PHE A 57 20.130 -6.145 -26.924 1.00 0.00 C ATOM 872 CZ PHE A 57 20.281 -7.420 -27.423 1.00 0.00 C ATOM 0 H PHE A 57 14.170 -6.057 -23.846 1.00 0.00 H new ATOM 0 HA PHE A 57 16.138 -7.695 -24.845 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.698 -6.283 -26.991 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.439 -4.955 -26.120 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.086 -8.459 -27.218 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.771 -4.698 -26.145 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.299 -9.251 -27.923 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.987 -5.493 -26.839 1.00 0.00 H new ATOM 0 HZ PHE A 57 21.256 -7.769 -27.730 1.00 0.00 H new ATOM 882 N PRO A 58 17.652 -6.455 -23.129 1.00 0.00 N ATOM 883 CA PRO A 58 18.418 -5.787 -22.069 1.00 0.00 C ATOM 884 C PRO A 58 19.134 -4.546 -22.600 1.00 0.00 C ATOM 885 O PRO A 58 19.290 -4.392 -23.814 1.00 0.00 O ATOM 886 CB PRO A 58 19.424 -6.853 -21.633 1.00 0.00 C ATOM 887 CG PRO A 58 19.585 -7.719 -22.827 1.00 0.00 C ATOM 888 CD PRO A 58 18.230 -7.770 -23.468 1.00 0.00 C ATOM 0 HA PRO A 58 17.788 -5.433 -21.253 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.373 -6.406 -21.336 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.057 -7.420 -20.778 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.328 -7.310 -23.511 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.925 -8.716 -22.546 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.299 -7.915 -24.546 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.628 -8.589 -23.074 1.00 0.00 H new ATOM 896 N ASP A 59 19.549 -3.660 -21.699 1.00 0.00 N ATOM 897 CA ASP A 59 20.178 -2.401 -22.102 1.00 0.00 C ATOM 898 C ASP A 59 21.414 -2.649 -22.947 1.00 0.00 C ATOM 899 O ASP A 59 22.409 -3.213 -22.476 1.00 0.00 O ATOM 900 CB ASP A 59 20.557 -1.560 -20.887 1.00 0.00 C ATOM 901 CG ASP A 59 21.219 -0.255 -21.280 1.00 0.00 C ATOM 902 OD1 ASP A 59 20.515 0.657 -21.765 1.00 0.00 O ATOM 903 OD2 ASP A 59 22.449 -0.125 -21.109 1.00 0.00 O ATOM 0 H ASP A 59 19.463 -3.787 -20.691 1.00 0.00 H new ATOM 0 HA ASP A 59 19.446 -1.855 -22.697 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.663 -1.350 -20.299 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.232 -2.130 -20.248 1.00 0.00 H new ATOM 908 N ASN A 60 21.339 -2.234 -24.196 1.00 0.00 N ATOM 909 CA ASN A 60 22.426 -2.429 -25.134 1.00 0.00 C ATOM 910 C ASN A 60 23.306 -1.181 -25.195 1.00 0.00 C ATOM 911 O ASN A 60 24.270 -1.121 -25.961 1.00 0.00 O ATOM 912 CB ASN A 60 21.873 -2.773 -26.524 1.00 0.00 C ATOM 913 CG ASN A 60 22.933 -3.297 -27.486 1.00 0.00 C ATOM 914 OD1 ASN A 60 23.886 -3.969 -27.086 1.00 0.00 O ATOM 915 ND2 ASN A 60 22.775 -3.000 -28.757 1.00 0.00 N ATOM 0 H ASN A 60 20.528 -1.755 -24.587 1.00 0.00 H new ATOM 0 HA ASN A 60 23.039 -3.263 -24.792 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.087 -3.521 -26.419 1.00 0.00 H new ATOM 0 HB3 ASN A 60 21.411 -1.884 -26.953 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.452 -3.328 -29.445 1.00 0.00 H new ATOM 0 HD22 ASN A 60 21.975 -2.442 -29.055 1.00 0.00 H new ATOM 922 N PHE A 61 22.956 -0.170 -24.394 1.00 0.00 N ATOM 923 CA PHE A 61 23.772 1.036 -24.296 1.00 0.00 C ATOM 924 C PHE A 61 25.147 0.660 -23.760 1.00 0.00 C ATOM 925 O PHE A 61 26.174 1.075 -24.293 1.00 0.00 O ATOM 926 CB PHE A 61 23.108 2.078 -23.386 1.00 0.00 C ATOM 927 CG PHE A 61 23.870 3.373 -23.278 1.00 0.00 C ATOM 928 CD1 PHE A 61 23.804 4.310 -24.296 1.00 0.00 C ATOM 929 CD2 PHE A 61 24.648 3.654 -22.162 1.00 0.00 C ATOM 930 CE1 PHE A 61 24.497 5.502 -24.208 1.00 0.00 C ATOM 931 CE2 PHE A 61 25.344 4.845 -22.068 1.00 0.00 C ATOM 932 CZ PHE A 61 25.269 5.770 -23.092 1.00 0.00 C ATOM 0 H PHE A 61 22.120 -0.165 -23.810 1.00 0.00 H new ATOM 0 HA PHE A 61 23.872 1.481 -25.286 1.00 0.00 H new ATOM 0 HB2 PHE A 61 22.107 2.288 -23.762 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.991 1.653 -22.389 1.00 0.00 H new ATOM 0 HD1 PHE A 61 23.203 4.106 -25.170 1.00 0.00 H new ATOM 0 HD2 PHE A 61 24.710 2.934 -21.359 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.436 6.223 -25.009 1.00 0.00 H new ATOM 0 HE2 PHE A 61 25.946 5.052 -21.195 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.812 6.701 -23.021 1.00 0.00 H new ATOM 942 N ALA A 62 25.148 -0.141 -22.715 1.00 0.00 N ATOM 943 CA ALA A 62 26.376 -0.663 -22.152 1.00 0.00 C ATOM 944 C ALA A 62 26.996 -1.682 -23.095 1.00 0.00 C ATOM 945 O ALA A 62 26.288 -2.433 -23.771 1.00 0.00 O ATOM 946 CB ALA A 62 26.102 -1.304 -20.807 1.00 0.00 C ATOM 0 H ALA A 62 24.302 -0.447 -22.234 1.00 0.00 H new ATOM 0 HA ALA A 62 27.075 0.162 -22.016 1.00 0.00 H new ATOM 0 HB1 ALA A 62 27.032 -1.693 -20.393 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.685 -0.560 -20.128 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.391 -2.121 -20.931 1.00 0.00 H new ATOM 952 N LYS A 63 28.303 -1.697 -23.155 1.00 0.00 N ATOM 953 CA LYS A 63 29.023 -2.647 -23.973 1.00 0.00 C ATOM 954 C LYS A 63 29.972 -3.440 -23.095 1.00 0.00 C ATOM 955 O LYS A 63 29.624 -4.573 -22.711 1.00 0.00 O ATOM 956 CB LYS A 63 29.795 -1.923 -25.086 1.00 0.00 C ATOM 957 CG LYS A 63 28.915 -1.203 -26.110 1.00 0.00 C ATOM 958 CD LYS A 63 28.588 -2.069 -27.336 1.00 0.00 C ATOM 959 CE LYS A 63 27.710 -3.277 -27.015 1.00 0.00 C ATOM 960 NZ LYS A 63 26.403 -2.900 -26.425 1.00 0.00 N ATOM 961 OXT LYS A 63 31.051 -2.911 -22.760 1.00 0.00 O ATOM 0 H LYS A 63 28.901 -1.052 -22.639 1.00 0.00 H new ATOM 0 HA LYS A 63 28.315 -3.328 -24.445 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.467 -1.196 -24.630 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.418 -2.649 -25.609 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.985 -0.897 -25.630 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.419 -0.294 -26.438 1.00 0.00 H new ATOM 0 HD2 LYS A 63 28.085 -1.453 -28.082 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.519 -2.416 -27.784 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.540 -3.849 -27.927 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.240 -3.931 -26.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 25.647 -3.461 -26.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.418 -3.086 -25.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.226 -1.889 -26.591 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.300 -18.771 -22.240 1.00 0.00 ZN HETATM 977 ZN ZN A 66 7.121 -7.058 -15.333 1.00 0.00 ZN