USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 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 Single : A 1 GLY N :NH3+ -132:sc= 0.0815 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 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 139:sc= -0.638 (180deg=-1.87!) USER MOD Single : A 21 GLN : amide:sc= 0.736 K(o=0.74,f=-5.8!) USER MOD Single : A 22 THR OG1 : rot 107:sc= 1.81 USER MOD Single : A 26 HIS : no HE2:sc= -0.914 X(o=-0.91,f=-0.7) USER MOD Single : A 30 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.103) USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= -0.0422 (180deg=-0.285) USER MOD Single : A 36 SER OG : rot 84:sc= 1.25 USER MOD Single : A 42 HIS : no HD1:sc= 0.99 K(o=0.99,f=-6.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.72! X(o=-1.7!,f=-1.3) USER MOD Single : A 60 ASN : amide:sc= 1.09 K(o=1.1,f=-0.056) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= -1.97! (180deg=-3.49!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.104 -23.167 -2.196 1.00 0.00 N ATOM 2 CA GLY A 1 10.725 -22.071 -1.436 1.00 0.00 C ATOM 3 C GLY A 1 10.228 -20.725 -1.906 1.00 0.00 C ATOM 4 O GLY A 1 9.123 -20.633 -2.440 1.00 0.00 O ATOM 0 H1 GLY A 1 9.756 -23.893 -1.537 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.309 -22.796 -2.754 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.808 -23.589 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.505 -22.192 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.809 -22.119 -1.545 1.00 0.00 H new ATOM 10 N PRO A 2 11.017 -19.659 -1.721 1.00 0.00 N ATOM 11 CA PRO A 2 10.640 -18.311 -2.152 1.00 0.00 C ATOM 12 C PRO A 2 10.748 -18.147 -3.671 1.00 0.00 C ATOM 13 O PRO A 2 11.556 -18.820 -4.320 1.00 0.00 O ATOM 14 CB PRO A 2 11.665 -17.430 -1.436 1.00 0.00 C ATOM 15 CG PRO A 2 12.876 -18.285 -1.348 1.00 0.00 C ATOM 16 CD PRO A 2 12.366 -19.680 -1.110 1.00 0.00 C ATOM 0 HA PRO A 2 9.605 -18.065 -1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.863 -16.514 -1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.314 -17.132 -0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.461 -18.232 -2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.527 -17.961 -0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.007 -20.428 -1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.322 -19.916 -0.047 1.00 0.00 H new ATOM 24 N LEU A 3 9.922 -17.279 -4.230 1.00 0.00 N ATOM 25 CA LEU A 3 9.989 -16.959 -5.651 1.00 0.00 C ATOM 26 C LEU A 3 11.329 -16.321 -5.996 1.00 0.00 C ATOM 27 O LEU A 3 11.988 -16.723 -6.958 1.00 0.00 O ATOM 28 CB LEU A 3 8.859 -15.985 -6.014 1.00 0.00 C ATOM 29 CG LEU A 3 8.844 -15.449 -7.451 1.00 0.00 C ATOM 30 CD1 LEU A 3 8.722 -16.565 -8.473 1.00 0.00 C ATOM 31 CD2 LEU A 3 7.735 -14.425 -7.631 1.00 0.00 C ATOM 0 H LEU A 3 9.193 -16.780 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 3 9.881 -17.883 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.908 -16.483 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.912 -15.134 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 3 9.801 -14.957 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.715 -16.140 -9.477 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.568 -17.245 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.795 -17.113 -8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.742 -14.058 -8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.772 -14.890 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.894 -13.592 -6.946 1.00 0.00 H new ATOM 43 N GLY A 4 11.724 -15.345 -5.175 1.00 0.00 N ATOM 44 CA GLY A 4 12.970 -14.633 -5.383 1.00 0.00 C ATOM 45 C GLY A 4 13.076 -14.060 -6.782 1.00 0.00 C ATOM 46 O GLY A 4 12.176 -13.355 -7.252 1.00 0.00 O ATOM 0 H GLY A 4 11.193 -15.035 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.051 -13.826 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.807 -15.309 -5.205 1.00 0.00 H new ATOM 50 N SER A 5 14.167 -14.362 -7.435 1.00 0.00 N ATOM 51 CA SER A 5 14.386 -14.013 -8.815 1.00 0.00 C ATOM 52 C SER A 5 14.989 -15.214 -9.523 1.00 0.00 C ATOM 53 O SER A 5 16.054 -15.701 -9.138 1.00 0.00 O ATOM 54 CB SER A 5 15.316 -12.802 -8.919 1.00 0.00 C ATOM 55 OG SER A 5 14.738 -11.662 -8.293 1.00 0.00 O ATOM 0 H SER A 5 14.946 -14.869 -7.014 1.00 0.00 H new ATOM 0 HA SER A 5 13.440 -13.745 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.273 -13.032 -8.451 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.518 -12.583 -9.967 1.00 0.00 H new ATOM 0 HG SER A 5 15.350 -10.901 -8.370 1.00 0.00 H new ATOM 61 N LYS A 6 14.313 -15.695 -10.537 1.00 0.00 N ATOM 62 CA LYS A 6 14.737 -16.890 -11.224 1.00 0.00 C ATOM 63 C LYS A 6 14.860 -16.654 -12.713 1.00 0.00 C ATOM 64 O LYS A 6 14.513 -15.584 -13.215 1.00 0.00 O ATOM 65 CB LYS A 6 13.807 -18.066 -10.901 1.00 0.00 C ATOM 66 CG LYS A 6 12.341 -17.828 -11.245 1.00 0.00 C ATOM 67 CD LYS A 6 11.488 -19.052 -10.941 1.00 0.00 C ATOM 68 CE LYS A 6 11.470 -19.362 -9.447 1.00 0.00 C ATOM 69 NZ LYS A 6 10.613 -20.524 -9.123 1.00 0.00 N ATOM 0 H LYS A 6 13.461 -15.274 -10.907 1.00 0.00 H new ATOM 0 HA LYS A 6 15.731 -17.154 -10.863 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.155 -18.947 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.885 -18.293 -9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.968 -16.974 -10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.251 -17.574 -12.301 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.470 -18.884 -11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.875 -19.912 -11.488 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.487 -19.558 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.114 -18.488 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.633 -20.695 -8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.636 -20.329 -9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.966 -21.366 -9.621 1.00 0.00 H new ATOM 83 N TYR A 7 15.352 -17.645 -13.415 1.00 0.00 N ATOM 84 CA TYR A 7 15.645 -17.515 -14.830 1.00 0.00 C ATOM 85 C TYR A 7 14.618 -18.265 -15.647 1.00 0.00 C ATOM 86 O TYR A 7 14.892 -18.764 -16.736 1.00 0.00 O ATOM 87 CB TYR A 7 17.071 -17.986 -15.110 1.00 0.00 C ATOM 88 CG TYR A 7 18.092 -17.140 -14.375 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.540 -15.936 -14.913 1.00 0.00 C ATOM 90 CD2 TYR A 7 18.579 -17.523 -13.132 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.443 -15.145 -14.232 1.00 0.00 C ATOM 92 CE2 TYR A 7 19.486 -16.736 -12.448 1.00 0.00 C ATOM 93 CZ TYR A 7 19.914 -15.548 -13.003 1.00 0.00 C ATOM 94 OH TYR A 7 20.814 -14.755 -12.314 1.00 0.00 O ATOM 0 H TYR A 7 15.562 -18.565 -13.027 1.00 0.00 H new ATOM 0 HA TYR A 7 15.584 -16.467 -15.125 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.176 -19.028 -14.809 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.265 -17.943 -16.182 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.175 -15.616 -15.878 1.00 0.00 H new ATOM 0 HD2 TYR A 7 18.243 -18.451 -12.693 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.779 -14.213 -14.662 1.00 0.00 H new ATOM 0 HE2 TYR A 7 19.858 -17.050 -11.484 1.00 0.00 H new ATOM 0 HH TYR A 7 21.044 -15.184 -11.464 1.00 0.00 H new ATOM 104 N GLU A 8 13.435 -18.340 -15.093 1.00 0.00 N ATOM 105 CA GLU A 8 12.320 -18.996 -15.714 1.00 0.00 C ATOM 106 C GLU A 8 11.453 -17.972 -16.438 1.00 0.00 C ATOM 107 O GLU A 8 11.204 -16.877 -15.916 1.00 0.00 O ATOM 108 CB GLU A 8 11.481 -19.686 -14.639 1.00 0.00 C ATOM 109 CG GLU A 8 10.299 -20.480 -15.165 1.00 0.00 C ATOM 110 CD GLU A 8 9.480 -21.082 -14.047 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.684 -20.347 -13.429 1.00 0.00 O ATOM 112 OE2 GLU A 8 9.635 -22.295 -13.763 1.00 0.00 O ATOM 0 H GLU A 8 13.219 -17.938 -14.181 1.00 0.00 H new ATOM 0 HA GLU A 8 12.689 -19.730 -16.430 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.126 -20.355 -14.069 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.113 -18.930 -13.945 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.666 -19.830 -15.769 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.658 -21.274 -15.820 1.00 0.00 H new ATOM 119 N CYS A 9 11.025 -18.313 -17.637 1.00 0.00 N ATOM 120 CA CYS A 9 10.011 -17.555 -18.328 1.00 0.00 C ATOM 121 C CYS A 9 8.656 -18.091 -17.871 1.00 0.00 C ATOM 122 O CYS A 9 8.278 -19.205 -18.235 1.00 0.00 O ATOM 123 CB CYS A 9 10.179 -17.748 -19.843 1.00 0.00 C ATOM 124 SG CYS A 9 8.885 -17.014 -20.908 1.00 0.00 S ATOM 0 H CYS A 9 11.371 -19.121 -18.155 1.00 0.00 H new ATOM 0 HA CYS A 9 10.091 -16.491 -18.107 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.141 -17.327 -20.136 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.223 -18.818 -20.048 1.00 0.00 H new ATOM 129 N PRO A 10 7.915 -17.323 -17.049 1.00 0.00 N ATOM 130 CA PRO A 10 6.666 -17.800 -16.425 1.00 0.00 C ATOM 131 C PRO A 10 5.580 -18.131 -17.434 1.00 0.00 C ATOM 132 O PRO A 10 4.663 -18.890 -17.134 1.00 0.00 O ATOM 133 CB PRO A 10 6.221 -16.611 -15.565 1.00 0.00 C ATOM 134 CG PRO A 10 7.459 -15.814 -15.361 1.00 0.00 C ATOM 135 CD PRO A 10 8.237 -15.955 -16.632 1.00 0.00 C ATOM 0 HA PRO A 10 6.833 -18.725 -15.872 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.450 -16.025 -16.066 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.802 -16.943 -14.615 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.224 -14.769 -15.158 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.029 -16.184 -14.509 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.933 -15.221 -17.378 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.307 -15.821 -16.470 1.00 0.00 H new ATOM 143 N ILE A 11 5.695 -17.582 -18.627 1.00 0.00 N ATOM 144 CA ILE A 11 4.720 -17.826 -19.668 1.00 0.00 C ATOM 145 C ILE A 11 4.743 -19.291 -20.109 1.00 0.00 C ATOM 146 O ILE A 11 3.697 -19.913 -20.286 1.00 0.00 O ATOM 147 CB ILE A 11 4.910 -16.875 -20.881 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.605 -15.436 -20.453 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.004 -17.284 -22.044 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.935 -14.398 -21.502 1.00 0.00 C ATOM 0 H ILE A 11 6.458 -16.962 -18.899 1.00 0.00 H new ATOM 0 HA ILE A 11 3.739 -17.612 -19.245 1.00 0.00 H new ATOM 0 HB ILE A 11 5.944 -16.942 -21.221 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.547 -15.359 -20.201 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.166 -15.211 -19.546 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.156 -16.602 -22.881 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.247 -18.300 -22.355 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.962 -17.241 -21.726 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.690 -13.406 -21.122 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.998 -14.444 -21.738 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.355 -14.594 -22.403 1.00 0.00 H new ATOM 162 N CYS A 12 5.934 -19.838 -20.282 1.00 0.00 N ATOM 163 CA CYS A 12 6.071 -21.219 -20.710 1.00 0.00 C ATOM 164 C CYS A 12 6.402 -22.140 -19.534 1.00 0.00 C ATOM 165 O CYS A 12 6.174 -23.347 -19.596 1.00 0.00 O ATOM 166 CB CYS A 12 7.139 -21.327 -21.798 1.00 0.00 C ATOM 167 SG CYS A 12 8.766 -20.639 -21.338 1.00 0.00 S ATOM 0 H CYS A 12 6.817 -19.349 -20.133 1.00 0.00 H new ATOM 0 HA CYS A 12 5.114 -21.543 -21.120 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.265 -22.377 -22.062 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.782 -20.814 -22.691 1.00 0.00 H new ATOM 172 N LEU A 13 6.934 -21.547 -18.464 1.00 0.00 N ATOM 173 CA LEU A 13 7.378 -22.269 -17.257 1.00 0.00 C ATOM 174 C LEU A 13 8.476 -23.282 -17.570 1.00 0.00 C ATOM 175 O LEU A 13 8.696 -24.233 -16.811 1.00 0.00 O ATOM 176 CB LEU A 13 6.202 -22.966 -16.543 1.00 0.00 C ATOM 177 CG LEU A 13 5.150 -22.053 -15.916 1.00 0.00 C ATOM 178 CD1 LEU A 13 3.984 -22.873 -15.387 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.763 -21.230 -14.794 1.00 0.00 C ATOM 0 H LEU A 13 7.073 -20.538 -18.405 1.00 0.00 H new ATOM 0 HA LEU A 13 7.791 -21.517 -16.584 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.704 -23.618 -17.261 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.609 -23.606 -15.760 1.00 0.00 H new ATOM 0 HG LEU A 13 4.780 -21.375 -16.685 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.243 -22.208 -14.943 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.528 -23.429 -16.207 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.344 -23.571 -14.631 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.001 -20.585 -14.358 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.156 -21.897 -14.027 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.572 -20.618 -15.192 1.00 0.00 H new ATOM 191 N MET A 14 9.177 -23.078 -18.671 1.00 0.00 N ATOM 192 CA MET A 14 10.280 -23.956 -19.022 1.00 0.00 C ATOM 193 C MET A 14 11.611 -23.337 -18.624 1.00 0.00 C ATOM 194 O MET A 14 12.240 -23.759 -17.648 1.00 0.00 O ATOM 195 CB MET A 14 10.280 -24.288 -20.523 1.00 0.00 C ATOM 196 CG MET A 14 9.081 -25.100 -20.993 1.00 0.00 C ATOM 197 SD MET A 14 9.196 -25.577 -22.735 1.00 0.00 S ATOM 198 CE MET A 14 9.008 -23.993 -23.553 1.00 0.00 C ATOM 0 H MET A 14 9.005 -22.320 -19.332 1.00 0.00 H new ATOM 0 HA MET A 14 10.145 -24.886 -18.469 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.315 -23.356 -21.088 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.190 -24.839 -20.760 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.993 -25.997 -20.380 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.172 -24.519 -20.839 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.705 -23.930 -24.389 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.987 -23.893 -23.923 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.218 -23.191 -22.845 1.00 0.00 H new ATOM 208 N ALA A 15 12.007 -22.305 -19.354 1.00 0.00 N ATOM 209 CA ALA A 15 13.292 -21.643 -19.173 1.00 0.00 C ATOM 210 C ALA A 15 13.318 -20.419 -20.058 1.00 0.00 C ATOM 211 O ALA A 15 12.291 -20.049 -20.616 1.00 0.00 O ATOM 212 CB ALA A 15 14.429 -22.588 -19.557 1.00 0.00 C ATOM 0 H ALA A 15 11.439 -21.898 -20.097 1.00 0.00 H new ATOM 0 HA ALA A 15 13.423 -21.358 -18.129 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.385 -22.083 -19.418 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.393 -23.476 -18.926 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.322 -22.880 -20.602 1.00 0.00 H new ATOM 218 N LEU A 16 14.470 -19.799 -20.192 1.00 0.00 N ATOM 219 CA LEU A 16 14.608 -18.659 -21.072 1.00 0.00 C ATOM 220 C LEU A 16 15.167 -19.093 -22.416 1.00 0.00 C ATOM 221 O LEU A 16 16.338 -19.457 -22.523 1.00 0.00 O ATOM 222 CB LEU A 16 15.535 -17.606 -20.453 1.00 0.00 C ATOM 223 CG LEU A 16 15.082 -16.983 -19.137 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.131 -16.021 -18.615 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.761 -16.267 -19.320 1.00 0.00 C ATOM 0 H LEU A 16 15.325 -20.065 -19.703 1.00 0.00 H new ATOM 0 HA LEU A 16 13.619 -18.223 -21.215 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.512 -18.064 -20.294 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.673 -16.805 -21.179 1.00 0.00 H new ATOM 0 HG LEU A 16 14.949 -17.781 -18.407 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.790 -15.586 -17.675 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.066 -16.557 -18.449 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.292 -15.227 -19.345 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.451 -15.828 -18.372 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.874 -15.480 -20.065 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.005 -16.978 -19.655 1.00 0.00 H new ATOM 237 N ARG A 17 14.322 -19.081 -23.430 1.00 0.00 N ATOM 238 CA ARG A 17 14.757 -19.364 -24.792 1.00 0.00 C ATOM 239 C ARG A 17 15.717 -18.296 -25.281 1.00 0.00 C ATOM 240 O ARG A 17 16.807 -18.604 -25.747 1.00 0.00 O ATOM 241 CB ARG A 17 13.524 -19.459 -25.718 1.00 0.00 C ATOM 242 CG ARG A 17 13.794 -19.596 -27.225 1.00 0.00 C ATOM 243 CD ARG A 17 14.576 -20.844 -27.583 1.00 0.00 C ATOM 244 NE ARG A 17 15.998 -20.555 -27.788 1.00 0.00 N ATOM 245 CZ ARG A 17 16.985 -21.436 -27.627 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.719 -22.672 -27.210 1.00 0.00 N ATOM 247 NH2 ARG A 17 18.237 -21.082 -27.879 1.00 0.00 N ATOM 0 H ARG A 17 13.327 -18.878 -23.339 1.00 0.00 H new ATOM 0 HA ARG A 17 15.285 -20.317 -24.807 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.927 -20.314 -25.401 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.914 -18.569 -25.562 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.843 -19.606 -27.758 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.343 -18.720 -27.570 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.466 -21.582 -26.789 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.161 -21.286 -28.489 1.00 0.00 H new ATOM 0 HE ARG A 17 16.251 -19.610 -28.075 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.757 -22.948 -27.013 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.477 -23.343 -27.088 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.445 -20.135 -28.196 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.992 -21.756 -27.756 1.00 0.00 H new ATOM 261 N GLU A 18 15.340 -17.042 -25.123 1.00 0.00 N ATOM 262 CA GLU A 18 16.178 -15.968 -25.622 1.00 0.00 C ATOM 263 C GLU A 18 16.708 -15.084 -24.519 1.00 0.00 C ATOM 264 O GLU A 18 17.671 -14.356 -24.727 1.00 0.00 O ATOM 265 CB GLU A 18 15.454 -15.154 -26.687 1.00 0.00 C ATOM 266 CG GLU A 18 15.125 -15.975 -27.915 1.00 0.00 C ATOM 267 CD GLU A 18 16.365 -16.595 -28.524 1.00 0.00 C ATOM 268 OE1 GLU A 18 17.289 -15.855 -28.890 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.437 -17.839 -28.609 1.00 0.00 O ATOM 0 H GLU A 18 14.479 -16.745 -24.664 1.00 0.00 H new ATOM 0 HA GLU A 18 17.045 -16.437 -26.086 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.534 -14.748 -26.267 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.074 -14.305 -26.976 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.419 -16.761 -27.648 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.634 -15.343 -28.655 1.00 0.00 H new ATOM 276 N ALA A 19 16.095 -15.187 -23.338 1.00 0.00 N ATOM 277 CA ALA A 19 16.443 -14.367 -22.179 1.00 0.00 C ATOM 278 C ALA A 19 16.430 -12.879 -22.509 1.00 0.00 C ATOM 279 O ALA A 19 17.479 -12.266 -22.699 1.00 0.00 O ATOM 280 CB ALA A 19 17.789 -14.782 -21.588 1.00 0.00 C ATOM 0 H ALA A 19 15.338 -15.847 -23.159 1.00 0.00 H new ATOM 0 HA ALA A 19 15.675 -14.541 -21.425 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.018 -14.153 -20.728 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.742 -15.824 -21.273 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.568 -14.665 -22.341 1.00 0.00 H new ATOM 286 N VAL A 20 15.248 -12.306 -22.612 1.00 0.00 N ATOM 287 CA VAL A 20 15.144 -10.884 -22.866 1.00 0.00 C ATOM 288 C VAL A 20 14.736 -10.135 -21.605 1.00 0.00 C ATOM 289 O VAL A 20 13.673 -10.383 -21.028 1.00 0.00 O ATOM 290 CB VAL A 20 14.228 -10.519 -24.077 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.800 -11.103 -25.363 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.790 -10.989 -23.875 1.00 0.00 C ATOM 0 H VAL A 20 14.357 -12.795 -22.525 1.00 0.00 H new ATOM 0 HA VAL A 20 16.142 -10.557 -23.157 1.00 0.00 H new ATOM 0 HB VAL A 20 14.205 -9.432 -24.152 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.153 -10.842 -26.200 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.797 -10.698 -25.535 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.860 -12.188 -25.275 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.191 -10.712 -24.743 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.775 -12.072 -23.754 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.375 -10.519 -22.984 1.00 0.00 H new ATOM 302 N GLN A 21 15.622 -9.270 -21.152 1.00 0.00 N ATOM 303 CA GLN A 21 15.391 -8.462 -19.970 1.00 0.00 C ATOM 304 C GLN A 21 14.346 -7.383 -20.271 1.00 0.00 C ATOM 305 O GLN A 21 14.483 -6.624 -21.229 1.00 0.00 O ATOM 306 CB GLN A 21 16.717 -7.814 -19.532 1.00 0.00 C ATOM 307 CG GLN A 21 16.629 -6.967 -18.271 1.00 0.00 C ATOM 308 CD GLN A 21 16.363 -7.768 -17.012 1.00 0.00 C ATOM 309 OE1 GLN A 21 16.782 -8.913 -16.886 1.00 0.00 O ATOM 310 NE2 GLN A 21 15.673 -7.168 -16.072 1.00 0.00 N ATOM 0 H GLN A 21 16.526 -9.107 -21.595 1.00 0.00 H new ATOM 0 HA GLN A 21 15.016 -9.092 -19.164 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.454 -8.601 -19.373 1.00 0.00 H new ATOM 0 HB3 GLN A 21 17.087 -7.191 -20.346 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.561 -6.416 -18.149 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.836 -6.229 -18.395 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.341 -6.214 -16.213 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.468 -7.655 -15.200 1.00 0.00 H new ATOM 319 N THR A 22 13.309 -7.334 -19.468 1.00 0.00 N ATOM 320 CA THR A 22 12.260 -6.353 -19.632 1.00 0.00 C ATOM 321 C THR A 22 12.596 -5.095 -18.837 1.00 0.00 C ATOM 322 O THR A 22 13.393 -5.152 -17.887 1.00 0.00 O ATOM 323 CB THR A 22 10.917 -6.923 -19.141 1.00 0.00 C ATOM 324 OG1 THR A 22 11.038 -7.299 -17.763 1.00 0.00 O ATOM 325 CG2 THR A 22 10.517 -8.136 -19.963 1.00 0.00 C ATOM 0 H THR A 22 13.168 -7.971 -18.684 1.00 0.00 H new ATOM 0 HA THR A 22 12.178 -6.104 -20.690 1.00 0.00 H new ATOM 0 HB THR A 22 10.149 -6.158 -19.253 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.554 -6.655 -17.205 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.565 -8.524 -19.600 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.416 -7.849 -21.010 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.282 -8.907 -19.870 1.00 0.00 H new ATOM 333 N PRO A 23 11.998 -3.939 -19.190 1.00 0.00 N ATOM 334 CA PRO A 23 12.268 -2.676 -18.497 1.00 0.00 C ATOM 335 C PRO A 23 11.823 -2.675 -17.027 1.00 0.00 C ATOM 336 O PRO A 23 12.330 -1.889 -16.220 1.00 0.00 O ATOM 337 CB PRO A 23 11.483 -1.642 -19.311 1.00 0.00 C ATOM 338 CG PRO A 23 10.417 -2.421 -19.987 1.00 0.00 C ATOM 339 CD PRO A 23 11.019 -3.753 -20.297 1.00 0.00 C ATOM 0 HA PRO A 23 13.338 -2.474 -18.446 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.061 -0.870 -18.668 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.124 -1.139 -20.035 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.543 -2.527 -19.344 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.085 -1.921 -20.897 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.268 -4.543 -20.310 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.505 -3.760 -21.272 1.00 0.00 H new ATOM 347 N CYS A 24 10.884 -3.546 -16.683 1.00 0.00 N ATOM 348 CA CYS A 24 10.406 -3.646 -15.311 1.00 0.00 C ATOM 349 C CYS A 24 11.414 -4.390 -14.433 1.00 0.00 C ATOM 350 O CYS A 24 11.744 -3.948 -13.330 1.00 0.00 O ATOM 351 CB CYS A 24 9.053 -4.353 -15.279 1.00 0.00 C ATOM 352 SG CYS A 24 9.034 -5.977 -16.115 1.00 0.00 S ATOM 0 H CYS A 24 10.439 -4.193 -17.334 1.00 0.00 H new ATOM 0 HA CYS A 24 10.290 -2.638 -14.913 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.751 -4.489 -14.240 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.308 -3.708 -15.746 1.00 0.00 H new ATOM 357 N GLY A 25 11.907 -5.508 -14.935 1.00 0.00 N ATOM 358 CA GLY A 25 12.842 -6.310 -14.183 1.00 0.00 C ATOM 359 C GLY A 25 12.476 -7.782 -14.191 1.00 0.00 C ATOM 360 O GLY A 25 12.415 -8.420 -13.139 1.00 0.00 O ATOM 0 H GLY A 25 11.674 -5.876 -15.857 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.842 -6.184 -14.599 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.878 -5.953 -13.154 1.00 0.00 H new ATOM 364 N HIS A 26 12.204 -8.309 -15.373 1.00 0.00 N ATOM 365 CA HIS A 26 11.919 -9.731 -15.570 1.00 0.00 C ATOM 366 C HIS A 26 12.588 -10.198 -16.841 1.00 0.00 C ATOM 367 O HIS A 26 12.991 -9.378 -17.663 1.00 0.00 O ATOM 368 CB HIS A 26 10.409 -10.007 -15.671 1.00 0.00 C ATOM 369 CG HIS A 26 9.656 -9.859 -14.395 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.705 -8.870 -14.178 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.696 -10.596 -13.261 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.206 -9.019 -12.957 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.787 -10.055 -12.385 1.00 0.00 N ATOM 0 H HIS A 26 12.173 -7.762 -16.234 1.00 0.00 H new ATOM 0 HA HIS A 26 12.304 -10.272 -14.705 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.980 -9.330 -16.409 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.264 -11.020 -16.045 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.435 -8.149 -14.846 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.327 -11.453 -13.078 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.449 -8.394 -12.506 1.00 0.00 H new ATOM 380 N ARG A 27 12.728 -11.491 -17.001 1.00 0.00 N ATOM 381 CA ARG A 27 13.215 -12.029 -18.251 1.00 0.00 C ATOM 382 C ARG A 27 12.240 -13.043 -18.800 1.00 0.00 C ATOM 383 O ARG A 27 11.699 -13.865 -18.065 1.00 0.00 O ATOM 384 CB ARG A 27 14.612 -12.635 -18.114 1.00 0.00 C ATOM 385 CG ARG A 27 15.690 -11.629 -17.797 1.00 0.00 C ATOM 386 CD ARG A 27 17.057 -12.275 -17.674 1.00 0.00 C ATOM 387 NE ARG A 27 18.078 -11.283 -17.354 1.00 0.00 N ATOM 388 CZ ARG A 27 19.398 -11.472 -17.435 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.889 -12.635 -17.853 1.00 0.00 N ATOM 390 NH2 ARG A 27 20.218 -10.488 -17.111 1.00 0.00 N ATOM 0 H ARG A 27 12.514 -12.188 -16.288 1.00 0.00 H new ATOM 0 HA ARG A 27 13.297 -11.201 -18.955 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.593 -13.391 -17.329 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.868 -13.146 -19.042 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.718 -10.870 -18.579 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.446 -11.119 -16.865 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.033 -13.040 -16.898 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.312 -12.776 -18.608 1.00 0.00 H new ATOM 0 HE ARG A 27 17.756 -10.367 -17.042 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.256 -13.391 -18.115 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.898 -12.771 -17.912 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.842 -9.592 -16.802 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.227 -10.625 -17.170 1.00 0.00 H new ATOM 404 N PHE A 28 12.022 -12.970 -20.087 1.00 0.00 N ATOM 405 CA PHE A 28 11.099 -13.846 -20.785 1.00 0.00 C ATOM 406 C PHE A 28 11.748 -14.329 -22.066 1.00 0.00 C ATOM 407 O PHE A 28 12.824 -13.838 -22.455 1.00 0.00 O ATOM 408 CB PHE A 28 9.799 -13.107 -21.145 1.00 0.00 C ATOM 409 CG PHE A 28 8.958 -12.649 -19.979 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.986 -13.475 -19.441 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.127 -11.387 -19.441 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.204 -13.051 -18.380 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.347 -10.953 -18.387 1.00 0.00 C ATOM 414 CZ PHE A 28 7.386 -11.788 -17.854 1.00 0.00 C ATOM 0 H PHE A 28 12.484 -12.293 -20.694 1.00 0.00 H new ATOM 0 HA PHE A 28 10.859 -14.683 -20.130 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.054 -12.236 -21.749 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.193 -13.762 -21.771 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.836 -14.462 -19.854 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.880 -10.730 -19.851 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.453 -13.707 -17.965 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.489 -9.962 -17.981 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.777 -11.454 -17.027 1.00 0.00 H new ATOM 424 N CYS A 29 11.143 -15.300 -22.705 1.00 0.00 N ATOM 425 CA CYS A 29 11.567 -15.676 -24.030 1.00 0.00 C ATOM 426 C CYS A 29 10.965 -14.678 -25.010 1.00 0.00 C ATOM 427 O CYS A 29 9.847 -14.211 -24.806 1.00 0.00 O ATOM 428 CB CYS A 29 11.045 -17.057 -24.364 1.00 0.00 C ATOM 429 SG CYS A 29 11.448 -18.330 -23.135 1.00 0.00 S ATOM 0 H CYS A 29 10.362 -15.840 -22.333 1.00 0.00 H new ATOM 0 HA CYS A 29 12.655 -15.680 -24.088 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.962 -17.006 -24.474 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.449 -17.361 -25.330 1.00 0.00 H new ATOM 434 N LYS A 30 11.673 -14.387 -26.089 1.00 0.00 N ATOM 435 CA LYS A 30 11.217 -13.378 -27.041 1.00 0.00 C ATOM 436 C LYS A 30 10.060 -13.902 -27.901 1.00 0.00 C ATOM 437 O LYS A 30 9.466 -13.170 -28.679 1.00 0.00 O ATOM 438 CB LYS A 30 12.369 -12.852 -27.909 1.00 0.00 C ATOM 439 CG LYS A 30 11.999 -11.623 -28.728 1.00 0.00 C ATOM 440 CD LYS A 30 13.186 -11.070 -29.477 1.00 0.00 C ATOM 441 CE LYS A 30 12.831 -9.812 -30.247 1.00 0.00 C ATOM 442 NZ LYS A 30 11.910 -10.072 -31.383 1.00 0.00 N ATOM 0 H LYS A 30 12.560 -14.829 -26.330 1.00 0.00 H new ATOM 0 HA LYS A 30 10.840 -12.535 -26.462 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.216 -12.610 -27.267 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.696 -13.643 -28.583 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.211 -11.882 -29.436 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.595 -10.855 -28.068 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.989 -10.851 -28.774 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.564 -11.824 -30.167 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.370 -9.094 -29.568 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.745 -9.352 -30.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.313 -9.674 -32.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.781 -11.098 -31.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.990 -9.627 -31.193 1.00 0.00 H new ATOM 456 N ALA A 31 9.710 -15.155 -27.718 1.00 0.00 N ATOM 457 CA ALA A 31 8.647 -15.744 -28.505 1.00 0.00 C ATOM 458 C ALA A 31 7.456 -16.050 -27.619 1.00 0.00 C ATOM 459 O ALA A 31 6.336 -16.205 -28.105 1.00 0.00 O ATOM 460 CB ALA A 31 9.137 -17.010 -29.190 1.00 0.00 C ATOM 0 H ALA A 31 10.140 -15.782 -27.038 1.00 0.00 H new ATOM 0 HA ALA A 31 8.341 -15.033 -29.272 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.327 -17.442 -29.778 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.973 -16.768 -29.846 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.462 -17.728 -28.437 1.00 0.00 H new ATOM 466 N CYS A 32 7.691 -16.109 -26.313 1.00 0.00 N ATOM 467 CA CYS A 32 6.613 -16.289 -25.376 1.00 0.00 C ATOM 468 C CYS A 32 5.981 -14.945 -25.033 1.00 0.00 C ATOM 469 O CYS A 32 4.760 -14.793 -25.080 1.00 0.00 O ATOM 470 CB CYS A 32 7.117 -16.954 -24.094 1.00 0.00 C ATOM 471 SG CYS A 32 8.043 -18.500 -24.349 1.00 0.00 S ATOM 0 H CYS A 32 8.616 -16.034 -25.891 1.00 0.00 H new ATOM 0 HA CYS A 32 5.866 -16.933 -25.840 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.755 -16.248 -23.562 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.263 -17.161 -23.449 1.00 0.00 H new ATOM 476 N ILE A 33 6.818 -13.958 -24.713 1.00 0.00 N ATOM 477 CA ILE A 33 6.308 -12.662 -24.281 1.00 0.00 C ATOM 478 C ILE A 33 5.615 -11.904 -25.414 1.00 0.00 C ATOM 479 O ILE A 33 4.539 -11.359 -25.224 1.00 0.00 O ATOM 480 CB ILE A 33 7.395 -11.779 -23.583 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.770 -10.529 -22.954 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.524 -11.397 -24.534 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.793 -10.826 -21.834 1.00 0.00 C ATOM 0 H ILE A 33 7.835 -14.030 -24.744 1.00 0.00 H new ATOM 0 HA ILE A 33 5.553 -12.881 -23.526 1.00 0.00 H new ATOM 0 HB ILE A 33 7.831 -12.384 -22.788 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.566 -9.892 -22.569 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.256 -9.962 -23.730 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.254 -10.785 -24.005 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.009 -12.300 -24.905 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.117 -10.833 -25.373 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.394 -9.891 -21.441 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.975 -11.437 -22.217 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.306 -11.365 -21.037 1.00 0.00 H new ATOM 495 N ILE A 34 6.202 -11.931 -26.599 1.00 0.00 N ATOM 496 CA ILE A 34 5.640 -11.224 -27.746 1.00 0.00 C ATOM 497 C ILE A 34 4.274 -11.781 -28.136 1.00 0.00 C ATOM 498 O ILE A 34 3.328 -11.030 -28.372 1.00 0.00 O ATOM 499 CB ILE A 34 6.608 -11.123 -28.954 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.782 -10.218 -28.572 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.894 -10.558 -30.181 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.869 -10.132 -29.615 1.00 0.00 C ATOM 0 H ILE A 34 7.067 -12.434 -26.795 1.00 0.00 H new ATOM 0 HA ILE A 34 5.491 -10.195 -27.420 1.00 0.00 H new ATOM 0 HB ILE A 34 6.969 -12.120 -29.205 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.403 -9.215 -28.377 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.217 -10.581 -27.641 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.595 -10.497 -31.014 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.064 -11.211 -30.452 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.513 -9.562 -29.954 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.660 -9.471 -29.262 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.280 -11.125 -29.795 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.453 -9.738 -30.542 1.00 0.00 H new ATOM 514 N LYS A 35 4.156 -13.096 -28.118 1.00 0.00 N ATOM 515 CA LYS A 35 2.939 -13.772 -28.549 1.00 0.00 C ATOM 516 C LYS A 35 1.874 -13.661 -27.440 1.00 0.00 C ATOM 517 O LYS A 35 0.744 -14.097 -27.597 1.00 0.00 O ATOM 518 CB LYS A 35 3.283 -15.252 -28.825 1.00 0.00 C ATOM 519 CG LYS A 35 2.147 -16.126 -29.354 1.00 0.00 C ATOM 520 CD LYS A 35 1.719 -15.715 -30.751 1.00 0.00 C ATOM 521 CE LYS A 35 0.632 -16.636 -31.296 1.00 0.00 C ATOM 522 NZ LYS A 35 1.078 -18.050 -31.383 1.00 0.00 N ATOM 0 H LYS A 35 4.895 -13.726 -27.806 1.00 0.00 H new ATOM 0 HA LYS A 35 2.542 -13.314 -29.455 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.102 -15.284 -29.544 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.653 -15.695 -27.900 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.466 -17.168 -29.364 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.294 -16.060 -28.679 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.353 -14.689 -30.733 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.581 -15.734 -31.417 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.247 -16.574 -30.655 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.330 -16.292 -32.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.418 -18.586 -31.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.031 -18.088 -31.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.097 -18.467 -30.431 1.00 0.00 H new ATOM 536 N SER A 36 2.245 -13.044 -26.335 1.00 0.00 N ATOM 537 CA SER A 36 1.316 -12.795 -25.254 1.00 0.00 C ATOM 538 C SER A 36 0.934 -11.310 -25.195 1.00 0.00 C ATOM 539 O SER A 36 -0.135 -10.952 -24.710 1.00 0.00 O ATOM 540 CB SER A 36 1.951 -13.226 -23.934 1.00 0.00 C ATOM 541 OG SER A 36 2.353 -14.586 -23.994 1.00 0.00 O ATOM 0 H SER A 36 3.191 -12.704 -26.163 1.00 0.00 H new ATOM 0 HA SER A 36 0.408 -13.371 -25.429 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.813 -12.596 -23.716 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.240 -13.087 -23.120 1.00 0.00 H new ATOM 0 HG SER A 36 3.236 -14.648 -24.414 1.00 0.00 H new ATOM 547 N ILE A 37 1.799 -10.448 -25.720 1.00 0.00 N ATOM 548 CA ILE A 37 1.580 -9.014 -25.599 1.00 0.00 C ATOM 549 C ILE A 37 1.102 -8.369 -26.895 1.00 0.00 C ATOM 550 O ILE A 37 0.497 -7.309 -26.861 1.00 0.00 O ATOM 551 CB ILE A 37 2.847 -8.266 -25.120 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.000 -8.470 -26.107 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.238 -8.710 -23.714 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.215 -7.620 -25.829 1.00 0.00 C ATOM 0 H ILE A 37 2.645 -10.713 -26.225 1.00 0.00 H new ATOM 0 HA ILE A 37 0.793 -8.920 -24.851 1.00 0.00 H new ATOM 0 HB ILE A 37 2.623 -7.200 -25.082 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.294 -9.519 -26.091 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.643 -8.254 -27.114 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.131 -8.171 -23.398 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.422 -8.496 -23.024 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.441 -9.781 -23.714 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.983 -7.827 -26.575 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.940 -6.566 -25.875 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.602 -7.851 -24.836 1.00 0.00 H new ATOM 566 N ARG A 38 1.353 -9.004 -28.031 1.00 0.00 N ATOM 567 CA ARG A 38 1.024 -8.382 -29.313 1.00 0.00 C ATOM 568 C ARG A 38 -0.455 -8.501 -29.637 1.00 0.00 C ATOM 569 O ARG A 38 -0.959 -7.804 -30.509 1.00 0.00 O ATOM 570 CB ARG A 38 1.868 -8.969 -30.456 1.00 0.00 C ATOM 571 CG ARG A 38 1.558 -10.417 -30.806 1.00 0.00 C ATOM 572 CD ARG A 38 2.436 -10.903 -31.944 1.00 0.00 C ATOM 573 NE ARG A 38 2.171 -10.176 -33.183 1.00 0.00 N ATOM 574 CZ ARG A 38 2.842 -10.337 -34.326 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.809 -11.244 -34.419 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.535 -9.586 -35.376 1.00 0.00 N ATOM 0 H ARG A 38 1.775 -9.931 -28.096 1.00 0.00 H new ATOM 0 HA ARG A 38 1.263 -7.323 -29.217 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.723 -8.357 -31.346 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.921 -8.894 -30.186 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.711 -11.047 -29.930 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.509 -10.510 -31.086 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.484 -10.784 -31.670 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.267 -11.968 -32.104 1.00 0.00 H new ATOM 0 HE ARG A 38 1.414 -9.492 -33.174 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.044 -11.824 -33.613 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.316 -11.360 -35.296 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.791 -8.892 -35.306 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.043 -9.703 -36.253 1.00 0.00 H new ATOM 590 N ASP A 39 -1.146 -9.376 -28.934 1.00 0.00 N ATOM 591 CA ASP A 39 -2.560 -9.590 -29.198 1.00 0.00 C ATOM 592 C ASP A 39 -3.410 -9.334 -27.962 1.00 0.00 C ATOM 593 O ASP A 39 -4.359 -8.560 -28.003 1.00 0.00 O ATOM 594 CB ASP A 39 -2.798 -11.002 -29.721 1.00 0.00 C ATOM 595 CG ASP A 39 -4.232 -11.244 -30.117 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.653 -10.734 -31.168 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.950 -11.963 -29.386 1.00 0.00 O ATOM 0 H ASP A 39 -0.759 -9.947 -28.182 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.862 -8.873 -29.962 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.153 -11.179 -30.582 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.511 -11.722 -28.954 1.00 0.00 H new ATOM 602 N ALA A 40 -3.069 -9.996 -26.862 1.00 0.00 N ATOM 603 CA ALA A 40 -3.809 -9.840 -25.611 1.00 0.00 C ATOM 604 C ALA A 40 -3.639 -8.440 -25.030 1.00 0.00 C ATOM 605 O ALA A 40 -4.599 -7.673 -24.944 1.00 0.00 O ATOM 606 CB ALA A 40 -3.406 -10.905 -24.605 1.00 0.00 C ATOM 0 H ALA A 40 -2.285 -10.646 -26.809 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.867 -9.972 -25.835 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.971 -10.767 -23.683 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.618 -11.892 -25.016 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.340 -10.821 -24.394 1.00 0.00 H new ATOM 612 N GLY A 41 -2.426 -8.109 -24.635 1.00 0.00 N ATOM 613 CA GLY A 41 -2.176 -6.804 -24.079 1.00 0.00 C ATOM 614 C GLY A 41 -0.711 -6.551 -23.885 1.00 0.00 C ATOM 615 O GLY A 41 0.024 -7.454 -23.458 1.00 0.00 O ATOM 0 H GLY A 41 -1.611 -8.720 -24.689 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.592 -6.042 -24.739 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.690 -6.712 -23.122 1.00 0.00 H new ATOM 619 N HIS A 42 -0.271 -5.336 -24.187 1.00 0.00 N ATOM 620 CA HIS A 42 1.136 -4.971 -24.053 1.00 0.00 C ATOM 621 C HIS A 42 1.500 -4.659 -22.614 1.00 0.00 C ATOM 622 O HIS A 42 1.788 -3.514 -22.251 1.00 0.00 O ATOM 623 CB HIS A 42 1.534 -3.828 -24.995 1.00 0.00 C ATOM 624 CG HIS A 42 1.592 -4.230 -26.436 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.536 -4.098 -27.305 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.596 -4.784 -27.157 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.883 -4.548 -28.491 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.126 -4.970 -28.428 1.00 0.00 N ATOM 0 H HIS A 42 -0.869 -4.584 -24.528 1.00 0.00 H new ATOM 0 HA HIS A 42 1.714 -5.844 -24.355 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.821 -3.011 -24.883 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.509 -3.444 -24.694 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.583 -5.032 -26.796 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.253 -4.567 -29.368 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.655 -5.372 -29.202 1.00 0.00 H new ATOM 637 N LYS A 43 1.454 -5.683 -21.795 1.00 0.00 N ATOM 638 CA LYS A 43 1.771 -5.581 -20.403 1.00 0.00 C ATOM 639 C LYS A 43 2.317 -6.908 -19.918 1.00 0.00 C ATOM 640 O LYS A 43 2.047 -7.954 -20.528 1.00 0.00 O ATOM 641 CB LYS A 43 0.526 -5.178 -19.597 1.00 0.00 C ATOM 642 CG LYS A 43 -0.594 -6.217 -19.577 1.00 0.00 C ATOM 643 CD LYS A 43 -1.770 -5.736 -18.733 1.00 0.00 C ATOM 644 CE LYS A 43 -2.454 -4.537 -19.376 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.572 -4.019 -18.558 1.00 0.00 N ATOM 0 H LYS A 43 1.190 -6.623 -22.089 1.00 0.00 H new ATOM 0 HA LYS A 43 2.527 -4.809 -20.259 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.828 -4.971 -18.570 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.131 -4.248 -20.007 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.929 -6.415 -20.595 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.215 -7.158 -19.177 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.489 -6.546 -18.611 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.420 -5.467 -17.736 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.722 -3.744 -19.530 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.828 -4.820 -20.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.005 -3.204 -19.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.285 -4.766 -18.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.213 -3.723 -17.628 1.00 0.00 H new ATOM 659 N CYS A 44 3.092 -6.875 -18.858 1.00 0.00 N ATOM 660 CA CYS A 44 3.584 -8.086 -18.253 1.00 0.00 C ATOM 661 C CYS A 44 2.406 -8.886 -17.700 1.00 0.00 C ATOM 662 O CYS A 44 1.577 -8.338 -16.980 1.00 0.00 O ATOM 663 CB CYS A 44 4.510 -7.756 -17.090 1.00 0.00 C ATOM 664 SG CYS A 44 5.852 -6.582 -17.440 1.00 0.00 S ATOM 0 H CYS A 44 3.395 -6.017 -18.397 1.00 0.00 H new ATOM 0 HA CYS A 44 4.124 -8.657 -19.008 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.907 -7.354 -16.276 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.953 -8.685 -16.730 1.00 0.00 H new ATOM 669 N PRO A 45 2.308 -10.176 -18.024 1.00 0.00 N ATOM 670 CA PRO A 45 1.258 -11.038 -17.472 1.00 0.00 C ATOM 671 C PRO A 45 1.435 -11.220 -15.958 1.00 0.00 C ATOM 672 O PRO A 45 0.490 -11.543 -15.230 1.00 0.00 O ATOM 673 CB PRO A 45 1.460 -12.361 -18.215 1.00 0.00 C ATOM 674 CG PRO A 45 2.887 -12.337 -18.646 1.00 0.00 C ATOM 675 CD PRO A 45 3.198 -10.903 -18.950 1.00 0.00 C ATOM 0 HA PRO A 45 0.257 -10.627 -17.601 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.256 -13.214 -17.568 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.789 -12.442 -19.070 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.539 -12.721 -17.861 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.041 -12.965 -19.524 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.247 -10.669 -18.771 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.990 -10.655 -19.991 1.00 0.00 H new ATOM 683 N VAL A 46 2.658 -10.994 -15.504 1.00 0.00 N ATOM 684 CA VAL A 46 3.027 -11.158 -14.112 1.00 0.00 C ATOM 685 C VAL A 46 2.740 -9.884 -13.297 1.00 0.00 C ATOM 686 O VAL A 46 1.763 -9.822 -12.547 1.00 0.00 O ATOM 687 CB VAL A 46 4.527 -11.539 -13.989 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.945 -11.709 -12.534 1.00 0.00 C ATOM 689 CG2 VAL A 46 4.822 -12.805 -14.784 1.00 0.00 C ATOM 0 H VAL A 46 3.428 -10.689 -16.100 1.00 0.00 H new ATOM 0 HA VAL A 46 2.418 -11.965 -13.704 1.00 0.00 H new ATOM 0 HB VAL A 46 5.113 -10.719 -14.405 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.001 -11.975 -12.488 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.783 -10.774 -11.997 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.351 -12.499 -12.075 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.878 -13.058 -14.687 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.216 -13.625 -14.400 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.584 -12.639 -15.835 1.00 0.00 H new ATOM 699 N ASP A 47 3.569 -8.868 -13.473 1.00 0.00 N ATOM 700 CA ASP A 47 3.497 -7.655 -12.665 1.00 0.00 C ATOM 701 C ASP A 47 2.678 -6.551 -13.326 1.00 0.00 C ATOM 702 O ASP A 47 2.576 -5.449 -12.792 1.00 0.00 O ATOM 703 CB ASP A 47 4.914 -7.147 -12.335 1.00 0.00 C ATOM 704 CG ASP A 47 5.802 -6.997 -13.565 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.791 -7.875 -14.444 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.551 -6.029 -13.675 1.00 0.00 O ATOM 0 H ASP A 47 4.308 -8.857 -14.176 1.00 0.00 H new ATOM 0 HA ASP A 47 2.981 -7.920 -11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.839 -6.184 -11.830 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.386 -7.837 -11.636 1.00 0.00 H new ATOM 711 N ASN A 48 2.081 -6.868 -14.468 1.00 0.00 N ATOM 712 CA ASN A 48 1.138 -5.980 -15.179 1.00 0.00 C ATOM 713 C ASN A 48 1.700 -4.596 -15.479 1.00 0.00 C ATOM 714 O ASN A 48 0.963 -3.608 -15.518 1.00 0.00 O ATOM 715 CB ASN A 48 -0.198 -5.875 -14.440 1.00 0.00 C ATOM 716 CG ASN A 48 -0.995 -7.158 -14.518 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.688 -7.410 -15.502 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.911 -7.976 -13.494 1.00 0.00 N ATOM 0 H ASN A 48 2.233 -7.758 -14.942 1.00 0.00 H new ATOM 0 HA ASN A 48 0.969 -6.454 -16.146 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.015 -5.626 -13.395 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.783 -5.059 -14.864 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.431 -8.854 -13.498 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.326 -7.734 -12.694 1.00 0.00 H new ATOM 725 N GLU A 49 2.986 -4.528 -15.722 1.00 0.00 N ATOM 726 CA GLU A 49 3.607 -3.283 -16.112 1.00 0.00 C ATOM 727 C GLU A 49 3.541 -3.147 -17.616 1.00 0.00 C ATOM 728 O GLU A 49 3.446 -4.149 -18.317 1.00 0.00 O ATOM 729 CB GLU A 49 5.055 -3.224 -15.640 1.00 0.00 C ATOM 730 CG GLU A 49 5.213 -3.170 -14.132 1.00 0.00 C ATOM 731 CD GLU A 49 4.581 -1.936 -13.528 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.913 -0.815 -13.957 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.734 -2.075 -12.623 1.00 0.00 O ATOM 0 H GLU A 49 3.625 -5.320 -15.657 1.00 0.00 H new ATOM 0 HA GLU A 49 3.070 -2.458 -15.644 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.585 -4.098 -16.019 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.533 -2.347 -16.076 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.762 -4.059 -13.690 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.273 -3.192 -13.880 1.00 0.00 H new ATOM 740 N ILE A 50 3.583 -1.922 -18.108 1.00 0.00 N ATOM 741 CA ILE A 50 3.521 -1.682 -19.540 1.00 0.00 C ATOM 742 C ILE A 50 4.772 -2.256 -20.192 1.00 0.00 C ATOM 743 O ILE A 50 5.900 -1.820 -19.903 1.00 0.00 O ATOM 744 CB ILE A 50 3.396 -0.158 -19.883 1.00 0.00 C ATOM 745 CG1 ILE A 50 2.051 0.447 -19.423 1.00 0.00 C ATOM 746 CG2 ILE A 50 3.590 0.086 -21.376 1.00 0.00 C ATOM 747 CD1 ILE A 50 1.852 0.532 -17.924 1.00 0.00 C ATOM 0 H ILE A 50 3.660 -1.079 -17.539 1.00 0.00 H new ATOM 0 HA ILE A 50 2.627 -2.173 -19.926 1.00 0.00 H new ATOM 0 HB ILE A 50 4.189 0.345 -19.330 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.962 1.450 -19.841 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.242 -0.148 -19.846 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.498 1.152 -21.585 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.580 -0.259 -21.675 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.831 -0.461 -21.936 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.877 0.971 -17.711 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.902 -0.468 -17.493 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.633 1.154 -17.488 1.00 0.00 H new ATOM 759 N LEU A 51 4.578 -3.224 -21.056 1.00 0.00 N ATOM 760 CA LEU A 51 5.677 -3.919 -21.671 1.00 0.00 C ATOM 761 C LEU A 51 5.533 -3.826 -23.182 1.00 0.00 C ATOM 762 O LEU A 51 4.525 -4.246 -23.747 1.00 0.00 O ATOM 763 CB LEU A 51 5.697 -5.377 -21.164 1.00 0.00 C ATOM 764 CG LEU A 51 6.928 -6.235 -21.493 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.004 -7.411 -20.537 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.848 -6.763 -22.899 1.00 0.00 C ATOM 0 H LEU A 51 3.657 -3.549 -21.350 1.00 0.00 H new ATOM 0 HA LEU A 51 6.632 -3.467 -21.403 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.584 -5.356 -20.080 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.819 -5.883 -21.566 1.00 0.00 H new ATOM 0 HG LEU A 51 7.815 -5.609 -21.393 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.879 -8.017 -20.774 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.084 -7.044 -19.514 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.104 -8.019 -20.635 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.730 -7.368 -23.111 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.953 -7.376 -23.007 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.803 -5.929 -23.599 1.00 0.00 H new ATOM 778 N LEU A 52 6.532 -3.268 -23.822 1.00 0.00 N ATOM 779 CA LEU A 52 6.472 -2.979 -25.237 1.00 0.00 C ATOM 780 C LEU A 52 7.425 -3.869 -26.023 1.00 0.00 C ATOM 781 O LEU A 52 8.522 -4.197 -25.554 1.00 0.00 O ATOM 782 CB LEU A 52 6.824 -1.507 -25.463 1.00 0.00 C ATOM 783 CG LEU A 52 5.947 -0.493 -24.718 1.00 0.00 C ATOM 784 CD1 LEU A 52 6.456 0.915 -24.943 1.00 0.00 C ATOM 785 CD2 LEU A 52 4.490 -0.609 -25.147 1.00 0.00 C ATOM 0 H LEU A 52 7.410 -3.001 -23.378 1.00 0.00 H new ATOM 0 HA LEU A 52 5.461 -3.179 -25.592 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.861 -1.350 -25.166 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.763 -1.297 -26.531 1.00 0.00 H new ATOM 0 HG LEU A 52 6.003 -0.717 -23.653 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.822 1.621 -24.407 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.479 0.995 -24.576 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.434 1.144 -26.008 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.891 0.121 -24.603 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.410 -0.419 -26.217 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.125 -1.612 -24.928 1.00 0.00 H new ATOM 797 N GLU A 53 7.006 -4.231 -27.221 1.00 0.00 N ATOM 798 CA GLU A 53 7.764 -5.093 -28.123 1.00 0.00 C ATOM 799 C GLU A 53 9.063 -4.412 -28.546 1.00 0.00 C ATOM 800 O GLU A 53 10.098 -5.058 -28.700 1.00 0.00 O ATOM 801 CB GLU A 53 6.916 -5.395 -29.362 1.00 0.00 C ATOM 802 CG GLU A 53 5.691 -6.254 -29.085 1.00 0.00 C ATOM 803 CD GLU A 53 4.819 -6.450 -30.310 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.300 -7.025 -31.310 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.640 -6.031 -30.281 1.00 0.00 O ATOM 0 H GLU A 53 6.111 -3.930 -27.607 1.00 0.00 H new ATOM 0 HA GLU A 53 8.009 -6.020 -27.606 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.593 -4.453 -29.806 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.539 -5.898 -30.101 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.012 -7.227 -28.714 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.100 -5.791 -28.295 1.00 0.00 H new ATOM 812 N ASN A 54 8.988 -3.098 -28.725 1.00 0.00 N ATOM 813 CA ASN A 54 10.122 -2.287 -29.177 1.00 0.00 C ATOM 814 C ASN A 54 11.254 -2.286 -28.154 1.00 0.00 C ATOM 815 O ASN A 54 12.429 -2.209 -28.515 1.00 0.00 O ATOM 816 CB ASN A 54 9.685 -0.833 -29.412 1.00 0.00 C ATOM 817 CG ASN A 54 8.706 -0.669 -30.556 1.00 0.00 C ATOM 818 OD1 ASN A 54 7.493 -0.683 -30.352 1.00 0.00 O ATOM 819 ND2 ASN A 54 9.217 -0.482 -31.752 1.00 0.00 N ATOM 0 H ASN A 54 8.137 -2.559 -28.561 1.00 0.00 H new ATOM 0 HA ASN A 54 10.478 -2.730 -30.107 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.231 -0.447 -28.499 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.568 -0.225 -29.611 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.602 -0.341 -32.553 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.229 -0.477 -31.879 1.00 0.00 H new ATOM 826 N GLN A 55 10.898 -2.378 -26.884 1.00 0.00 N ATOM 827 CA GLN A 55 11.872 -2.266 -25.809 1.00 0.00 C ATOM 828 C GLN A 55 12.481 -3.613 -25.442 1.00 0.00 C ATOM 829 O GLN A 55 13.434 -3.685 -24.657 1.00 0.00 O ATOM 830 CB GLN A 55 11.255 -1.562 -24.597 1.00 0.00 C ATOM 831 CG GLN A 55 10.935 -0.098 -24.873 1.00 0.00 C ATOM 832 CD GLN A 55 10.244 0.610 -23.724 1.00 0.00 C ATOM 833 OE1 GLN A 55 10.335 0.194 -22.565 1.00 0.00 O ATOM 834 NE2 GLN A 55 9.572 1.697 -24.033 1.00 0.00 N ATOM 0 H GLN A 55 9.939 -2.530 -26.570 1.00 0.00 H new ATOM 0 HA GLN A 55 12.697 -1.651 -26.169 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.342 -2.081 -24.305 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.943 -1.628 -23.754 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.861 0.428 -25.106 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.302 -0.036 -25.758 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.521 2.007 -25.004 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.101 2.231 -23.302 1.00 0.00 H new ATOM 843 N LEU A 56 11.926 -4.675 -26.004 1.00 0.00 N ATOM 844 CA LEU A 56 12.479 -6.004 -25.829 1.00 0.00 C ATOM 845 C LEU A 56 13.712 -6.166 -26.701 1.00 0.00 C ATOM 846 O LEU A 56 13.742 -5.691 -27.838 1.00 0.00 O ATOM 847 CB LEU A 56 11.442 -7.068 -26.182 1.00 0.00 C ATOM 848 CG LEU A 56 10.202 -7.119 -25.293 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.213 -8.137 -25.831 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.598 -7.472 -23.868 1.00 0.00 C ATOM 0 H LEU A 56 11.090 -4.640 -26.587 1.00 0.00 H new ATOM 0 HA LEU A 56 12.760 -6.132 -24.784 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.120 -6.905 -27.211 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.927 -8.044 -26.150 1.00 0.00 H new ATOM 0 HG LEU A 56 9.727 -6.138 -25.293 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.333 -8.164 -25.188 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.916 -7.857 -26.842 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.679 -9.122 -25.850 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.707 -7.506 -23.241 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.087 -8.446 -23.857 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.284 -6.717 -23.483 1.00 0.00 H new ATOM 862 N PHE A 57 14.715 -6.837 -26.181 1.00 0.00 N ATOM 863 CA PHE A 57 15.966 -7.004 -26.897 1.00 0.00 C ATOM 864 C PHE A 57 15.824 -7.985 -28.056 1.00 0.00 C ATOM 865 O PHE A 57 15.066 -8.948 -27.966 1.00 0.00 O ATOM 866 CB PHE A 57 17.080 -7.452 -25.945 1.00 0.00 C ATOM 867 CG PHE A 57 17.416 -6.429 -24.901 1.00 0.00 C ATOM 868 CD1 PHE A 57 18.293 -5.398 -25.188 1.00 0.00 C ATOM 869 CD2 PHE A 57 16.856 -6.494 -23.637 1.00 0.00 C ATOM 870 CE1 PHE A 57 18.601 -4.450 -24.237 1.00 0.00 C ATOM 871 CE2 PHE A 57 17.166 -5.546 -22.677 1.00 0.00 C ATOM 872 CZ PHE A 57 18.040 -4.526 -22.978 1.00 0.00 C ATOM 0 H PHE A 57 14.691 -7.278 -25.262 1.00 0.00 H new ATOM 0 HA PHE A 57 16.236 -6.035 -27.316 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.778 -8.377 -25.453 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.975 -7.677 -26.525 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.741 -5.336 -26.169 1.00 0.00 H new ATOM 0 HD2 PHE A 57 16.170 -7.293 -23.397 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.282 -3.647 -24.477 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.723 -5.607 -21.694 1.00 0.00 H new ATOM 0 HZ PHE A 57 18.286 -3.786 -22.230 1.00 0.00 H new ATOM 882 N PRO A 58 16.542 -7.733 -29.172 1.00 0.00 N ATOM 883 CA PRO A 58 16.550 -8.634 -30.333 1.00 0.00 C ATOM 884 C PRO A 58 17.069 -10.022 -29.958 1.00 0.00 C ATOM 885 O PRO A 58 17.953 -10.160 -29.093 1.00 0.00 O ATOM 886 CB PRO A 58 17.516 -7.950 -31.307 1.00 0.00 C ATOM 887 CG PRO A 58 17.511 -6.522 -30.890 1.00 0.00 C ATOM 888 CD PRO A 58 17.385 -6.543 -29.402 1.00 0.00 C ATOM 0 HA PRO A 58 15.554 -8.790 -30.746 1.00 0.00 H new ATOM 0 HB2 PRO A 58 18.516 -8.379 -31.243 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.186 -8.064 -32.340 1.00 0.00 H new ATOM 0 HG2 PRO A 58 18.427 -6.019 -31.199 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.681 -5.982 -31.347 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.355 -6.632 -28.913 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.918 -5.635 -29.021 1.00 0.00 H new ATOM 896 N ASP A 59 16.527 -11.042 -30.597 1.00 0.00 N ATOM 897 CA ASP A 59 16.859 -12.425 -30.266 1.00 0.00 C ATOM 898 C ASP A 59 18.098 -12.909 -31.002 1.00 0.00 C ATOM 899 O ASP A 59 18.765 -12.143 -31.712 1.00 0.00 O ATOM 900 CB ASP A 59 15.680 -13.377 -30.505 1.00 0.00 C ATOM 901 CG ASP A 59 15.202 -13.383 -31.931 1.00 0.00 C ATOM 902 OD1 ASP A 59 15.906 -13.911 -32.792 1.00 0.00 O ATOM 903 OD2 ASP A 59 14.116 -12.838 -32.205 1.00 0.00 O ATOM 0 H ASP A 59 15.850 -10.943 -31.354 1.00 0.00 H new ATOM 0 HA ASP A 59 17.082 -12.435 -29.199 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.975 -14.388 -30.223 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.854 -13.093 -29.853 1.00 0.00 H new ATOM 908 N ASN A 60 18.410 -14.171 -30.813 1.00 0.00 N ATOM 909 CA ASN A 60 19.651 -14.753 -31.298 1.00 0.00 C ATOM 910 C ASN A 60 19.460 -15.581 -32.558 1.00 0.00 C ATOM 911 O ASN A 60 20.352 -16.337 -32.932 1.00 0.00 O ATOM 912 CB ASN A 60 20.254 -15.640 -30.208 1.00 0.00 C ATOM 913 CG ASN A 60 20.592 -14.866 -28.957 1.00 0.00 C ATOM 914 OD1 ASN A 60 21.681 -14.308 -28.831 1.00 0.00 O ATOM 915 ND2 ASN A 60 19.651 -14.799 -28.034 1.00 0.00 N ATOM 0 H ASN A 60 17.810 -14.830 -30.317 1.00 0.00 H new ATOM 0 HA ASN A 60 20.318 -13.927 -31.546 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.551 -16.436 -29.961 1.00 0.00 H new ATOM 0 HB3 ASN A 60 21.156 -16.119 -30.590 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.814 -14.270 -27.177 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.761 -15.276 -28.177 1.00 0.00 H new ATOM 922 N PHE A 61 18.324 -15.457 -33.225 1.00 0.00 N ATOM 923 CA PHE A 61 18.085 -16.306 -34.382 1.00 0.00 C ATOM 924 C PHE A 61 17.395 -15.573 -35.523 1.00 0.00 C ATOM 925 O PHE A 61 16.641 -14.629 -35.318 1.00 0.00 O ATOM 926 CB PHE A 61 17.287 -17.567 -33.980 1.00 0.00 C ATOM 927 CG PHE A 61 15.932 -17.293 -33.370 1.00 0.00 C ATOM 928 CD1 PHE A 61 14.806 -17.141 -34.163 1.00 0.00 C ATOM 929 CD2 PHE A 61 15.788 -17.191 -31.997 1.00 0.00 C ATOM 930 CE1 PHE A 61 13.567 -16.897 -33.599 1.00 0.00 C ATOM 931 CE2 PHE A 61 14.554 -16.946 -31.430 1.00 0.00 C ATOM 932 CZ PHE A 61 13.442 -16.798 -32.229 1.00 0.00 C ATOM 0 H PHE A 61 17.576 -14.802 -32.997 1.00 0.00 H new ATOM 0 HA PHE A 61 19.064 -16.609 -34.753 1.00 0.00 H new ATOM 0 HB2 PHE A 61 17.152 -18.191 -34.863 1.00 0.00 H new ATOM 0 HB3 PHE A 61 17.880 -18.143 -33.270 1.00 0.00 H new ATOM 0 HD1 PHE A 61 14.897 -17.214 -35.237 1.00 0.00 H new ATOM 0 HD2 PHE A 61 16.653 -17.305 -31.361 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.698 -16.784 -34.231 1.00 0.00 H new ATOM 0 HE2 PHE A 61 14.460 -16.870 -30.357 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.477 -16.605 -31.785 1.00 0.00 H new ATOM 942 N ALA A 62 17.678 -16.011 -36.730 1.00 0.00 N ATOM 943 CA ALA A 62 17.023 -15.485 -37.905 1.00 0.00 C ATOM 944 C ALA A 62 15.728 -16.239 -38.113 1.00 0.00 C ATOM 945 O ALA A 62 14.725 -15.685 -38.565 1.00 0.00 O ATOM 946 CB ALA A 62 17.926 -15.632 -39.117 1.00 0.00 C ATOM 0 H ALA A 62 18.366 -16.739 -36.923 1.00 0.00 H new ATOM 0 HA ALA A 62 16.811 -14.424 -37.770 1.00 0.00 H new ATOM 0 HB1 ALA A 62 17.422 -15.232 -39.997 1.00 0.00 H new ATOM 0 HB2 ALA A 62 18.853 -15.083 -38.949 1.00 0.00 H new ATOM 0 HB3 ALA A 62 18.152 -16.686 -39.276 1.00 0.00 H new ATOM 952 N LYS A 63 15.769 -17.509 -37.760 1.00 0.00 N ATOM 953 CA LYS A 63 14.632 -18.397 -37.828 1.00 0.00 C ATOM 954 C LYS A 63 14.968 -19.666 -37.078 1.00 0.00 C ATOM 955 O LYS A 63 14.559 -19.804 -35.917 1.00 0.00 O ATOM 956 CB LYS A 63 14.281 -18.734 -39.278 1.00 0.00 C ATOM 957 CG LYS A 63 13.036 -19.597 -39.441 1.00 0.00 C ATOM 958 CD LYS A 63 12.714 -19.873 -40.911 1.00 0.00 C ATOM 959 CE LYS A 63 13.612 -20.956 -41.534 1.00 0.00 C ATOM 960 NZ LYS A 63 15.055 -20.596 -41.553 1.00 0.00 N ATOM 961 OXT LYS A 63 15.671 -20.522 -37.646 1.00 0.00 O ATOM 0 H LYS A 63 16.615 -17.959 -37.410 1.00 0.00 H new ATOM 0 HA LYS A 63 13.769 -17.905 -37.380 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.139 -17.805 -39.830 1.00 0.00 H new ATOM 0 HB3 LYS A 63 15.127 -19.249 -39.733 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.180 -20.543 -38.918 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.187 -19.100 -38.972 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.672 -20.181 -40.997 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.822 -18.949 -41.480 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.485 -21.885 -40.978 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.281 -21.148 -42.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.511 -21.034 -42.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.154 -19.562 -41.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.510 -20.939 -40.683 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.246 -18.822 -22.512 1.00 0.00 ZN HETATM 977 ZN ZN A 66 7.125 -6.891 -15.419 1.00 0.00 ZN