USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=13 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+ -142:sc= 0.0816 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0587) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 168:sc= -1.54 (180deg=-1.85!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 22 THR OG1 : rot 126:sc= 1.13 USER MOD Single : A 26 HIS : no HE2:sc= 0.222 K(o=0.22,f=-2.7!) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -0.0187 (180deg=-0.189) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= -0.0386 (180deg=-0.233) USER MOD Single : A 36 SER OG : rot 160:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.57 K(o=-0.57,f=-3.9!) USER MOD Single : A 43 LYS NZ :NH3+ 168:sc=-0.00521 (180deg=-0.125) USER MOD Single : A 48 ASN : amide:sc= -1.41! K(o=-1.4!,f=-0.035) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -2.25! K(o=-2.2!,f=-1.1) USER MOD Single : A 60 ASN : amide:sc= 0.166 K(o=0.17,f=-2.9!) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= -0.0186 (180deg=-0.115) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.231 -25.551 -5.641 1.00 0.00 N ATOM 2 CA GLY A 1 18.921 -26.207 -5.784 1.00 0.00 C ATOM 3 C GLY A 1 18.314 -25.950 -7.146 1.00 0.00 C ATOM 4 O GLY A 1 19.037 -25.582 -8.083 1.00 0.00 O ATOM 0 H1 GLY A 1 20.872 -26.169 -5.103 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.633 -25.370 -6.583 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.114 -24.649 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.033 -27.281 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.245 -25.844 -5.010 1.00 0.00 H new ATOM 10 N PRO A 2 16.992 -26.140 -7.301 1.00 0.00 N ATOM 11 CA PRO A 2 16.297 -25.901 -8.573 1.00 0.00 C ATOM 12 C PRO A 2 16.261 -24.413 -8.922 1.00 0.00 C ATOM 13 O PRO A 2 16.268 -23.556 -8.030 1.00 0.00 O ATOM 14 CB PRO A 2 14.888 -26.444 -8.312 1.00 0.00 C ATOM 15 CG PRO A 2 14.707 -26.289 -6.843 1.00 0.00 C ATOM 16 CD PRO A 2 16.057 -26.584 -6.244 1.00 0.00 C ATOM 0 HA PRO A 2 16.789 -26.379 -9.420 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.136 -25.884 -8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.800 -27.487 -8.617 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.377 -25.281 -6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.950 -26.976 -6.465 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.213 -26.040 -5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.176 -27.644 -6.018 1.00 0.00 H new ATOM 24 N LEU A 3 16.233 -24.113 -10.213 1.00 0.00 N ATOM 25 CA LEU A 3 16.257 -22.737 -10.686 1.00 0.00 C ATOM 26 C LEU A 3 14.977 -21.989 -10.312 1.00 0.00 C ATOM 27 O LEU A 3 13.916 -22.201 -10.910 1.00 0.00 O ATOM 28 CB LEU A 3 16.462 -22.708 -12.209 1.00 0.00 C ATOM 29 CG LEU A 3 16.580 -21.325 -12.863 1.00 0.00 C ATOM 30 CD1 LEU A 3 17.800 -20.578 -12.343 1.00 0.00 C ATOM 31 CD2 LEU A 3 16.629 -21.454 -14.378 1.00 0.00 C ATOM 0 H LEU A 3 16.193 -24.810 -10.956 1.00 0.00 H new ATOM 0 HA LEU A 3 17.090 -22.231 -10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 3 17.365 -23.272 -12.441 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.629 -23.234 -12.674 1.00 0.00 H new ATOM 0 HG LEU A 3 15.696 -20.746 -12.597 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.860 -19.601 -12.823 1.00 0.00 H new ATOM 0 HD12 LEU A 3 17.715 -20.448 -11.264 1.00 0.00 H new ATOM 0 HD13 LEU A 3 18.700 -21.149 -12.569 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.713 -20.463 -14.825 1.00 0.00 H new ATOM 0 HD22 LEU A 3 17.492 -22.055 -14.664 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.718 -21.936 -14.732 1.00 0.00 H new ATOM 43 N GLY A 4 15.093 -21.133 -9.318 1.00 0.00 N ATOM 44 CA GLY A 4 14.002 -20.285 -8.911 1.00 0.00 C ATOM 45 C GLY A 4 14.302 -18.840 -9.225 1.00 0.00 C ATOM 46 O GLY A 4 13.458 -17.962 -9.051 1.00 0.00 O ATOM 0 H GLY A 4 15.946 -21.009 -8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.088 -20.591 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.825 -20.400 -7.842 1.00 0.00 H new ATOM 50 N SER A 5 15.525 -18.589 -9.654 1.00 0.00 N ATOM 51 CA SER A 5 15.938 -17.271 -10.083 1.00 0.00 C ATOM 52 C SER A 5 15.295 -16.962 -11.435 1.00 0.00 C ATOM 53 O SER A 5 15.038 -17.883 -12.219 1.00 0.00 O ATOM 54 CB SER A 5 17.457 -17.246 -10.195 1.00 0.00 C ATOM 55 OG SER A 5 18.043 -17.760 -9.012 1.00 0.00 O ATOM 0 H SER A 5 16.258 -19.295 -9.714 1.00 0.00 H new ATOM 0 HA SER A 5 15.621 -16.517 -9.363 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.775 -17.837 -11.054 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.800 -16.225 -10.366 1.00 0.00 H new ATOM 0 HG SER A 5 19.019 -17.741 -9.096 1.00 0.00 H new ATOM 61 N LYS A 6 15.034 -15.681 -11.715 1.00 0.00 N ATOM 62 CA LYS A 6 14.337 -15.310 -12.945 1.00 0.00 C ATOM 63 C LYS A 6 15.186 -15.418 -14.208 1.00 0.00 C ATOM 64 O LYS A 6 15.581 -14.420 -14.817 1.00 0.00 O ATOM 65 CB LYS A 6 13.550 -13.989 -12.854 1.00 0.00 C ATOM 66 CG LYS A 6 14.304 -12.800 -12.278 1.00 0.00 C ATOM 67 CD LYS A 6 13.403 -11.571 -12.246 1.00 0.00 C ATOM 68 CE LYS A 6 14.096 -10.362 -11.635 1.00 0.00 C ATOM 69 NZ LYS A 6 14.364 -10.548 -10.189 1.00 0.00 N ATOM 0 H LYS A 6 15.291 -14.897 -11.116 1.00 0.00 H new ATOM 0 HA LYS A 6 13.578 -16.085 -13.051 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.205 -13.725 -13.854 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.662 -14.160 -12.246 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.650 -13.033 -11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.189 -12.595 -12.880 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.085 -11.330 -13.260 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.503 -11.798 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.035 -10.180 -12.157 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.475 -9.478 -11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.695 -9.651 -9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.491 -10.846 -9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.095 -11.277 -10.062 1.00 0.00 H new ATOM 83 N TYR A 7 15.510 -16.647 -14.531 1.00 0.00 N ATOM 84 CA TYR A 7 16.071 -17.045 -15.802 1.00 0.00 C ATOM 85 C TYR A 7 15.116 -18.034 -16.437 1.00 0.00 C ATOM 86 O TYR A 7 15.452 -18.740 -17.382 1.00 0.00 O ATOM 87 CB TYR A 7 17.454 -17.671 -15.629 1.00 0.00 C ATOM 88 CG TYR A 7 18.494 -16.709 -15.122 1.00 0.00 C ATOM 89 CD1 TYR A 7 19.115 -15.820 -15.988 1.00 0.00 C ATOM 90 CD2 TYR A 7 18.855 -16.683 -13.783 1.00 0.00 C ATOM 91 CE1 TYR A 7 20.069 -14.933 -15.538 1.00 0.00 C ATOM 92 CE2 TYR A 7 19.808 -15.798 -13.322 1.00 0.00 C ATOM 93 CZ TYR A 7 20.413 -14.926 -14.205 1.00 0.00 C ATOM 94 OH TYR A 7 21.362 -14.041 -13.750 1.00 0.00 O ATOM 0 H TYR A 7 15.385 -17.430 -13.890 1.00 0.00 H new ATOM 0 HA TYR A 7 16.197 -16.170 -16.439 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.379 -18.510 -14.937 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.782 -18.076 -16.586 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.846 -15.823 -17.034 1.00 0.00 H new ATOM 0 HD2 TYR A 7 18.383 -17.365 -13.091 1.00 0.00 H new ATOM 0 HE1 TYR A 7 20.543 -14.249 -16.226 1.00 0.00 H new ATOM 0 HE2 TYR A 7 20.079 -15.788 -12.277 1.00 0.00 H new ATOM 0 HH TYR A 7 21.488 -14.164 -12.786 1.00 0.00 H new ATOM 104 N GLU A 8 13.931 -18.083 -15.879 1.00 0.00 N ATOM 105 CA GLU A 8 12.885 -18.961 -16.325 1.00 0.00 C ATOM 106 C GLU A 8 11.693 -18.126 -16.766 1.00 0.00 C ATOM 107 O GLU A 8 11.339 -17.138 -16.106 1.00 0.00 O ATOM 108 CB GLU A 8 12.502 -19.908 -15.185 1.00 0.00 C ATOM 109 CG GLU A 8 11.458 -20.947 -15.541 1.00 0.00 C ATOM 110 CD GLU A 8 11.182 -21.885 -14.396 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.460 -21.493 -13.454 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.700 -23.026 -14.423 1.00 0.00 O ATOM 0 H GLU A 8 13.665 -17.500 -15.086 1.00 0.00 H new ATOM 0 HA GLU A 8 13.223 -19.560 -17.171 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.400 -20.420 -14.841 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.133 -19.315 -14.348 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.534 -20.447 -15.831 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.796 -21.519 -16.405 1.00 0.00 H new ATOM 119 N CYS A 9 11.106 -18.507 -17.879 1.00 0.00 N ATOM 120 CA CYS A 9 9.991 -17.800 -18.465 1.00 0.00 C ATOM 121 C CYS A 9 8.707 -18.262 -17.792 1.00 0.00 C ATOM 122 O CYS A 9 8.296 -19.404 -17.965 1.00 0.00 O ATOM 123 CB CYS A 9 9.947 -18.115 -19.969 1.00 0.00 C ATOM 124 SG CYS A 9 8.671 -17.248 -20.944 1.00 0.00 S ATOM 0 H CYS A 9 11.395 -19.329 -18.409 1.00 0.00 H new ATOM 0 HA CYS A 9 10.099 -16.725 -18.325 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.922 -17.879 -20.396 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.798 -19.188 -20.089 1.00 0.00 H new ATOM 129 N PRO A 10 8.060 -17.394 -16.999 1.00 0.00 N ATOM 130 CA PRO A 10 6.857 -17.770 -16.253 1.00 0.00 C ATOM 131 C PRO A 10 5.669 -18.051 -17.172 1.00 0.00 C ATOM 132 O PRO A 10 4.700 -18.692 -16.771 1.00 0.00 O ATOM 133 CB PRO A 10 6.586 -16.548 -15.370 1.00 0.00 C ATOM 134 CG PRO A 10 7.226 -15.414 -16.092 1.00 0.00 C ATOM 135 CD PRO A 10 8.437 -15.983 -16.774 1.00 0.00 C ATOM 0 HA PRO A 10 6.998 -18.691 -15.688 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.517 -16.382 -15.240 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.012 -16.676 -14.375 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.540 -14.977 -16.817 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.506 -14.620 -15.400 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.652 -15.468 -17.711 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.328 -15.898 -16.152 1.00 0.00 H new ATOM 143 N ILE A 11 5.753 -17.562 -18.400 1.00 0.00 N ATOM 144 CA ILE A 11 4.708 -17.773 -19.387 1.00 0.00 C ATOM 145 C ILE A 11 4.608 -19.251 -19.778 1.00 0.00 C ATOM 146 O ILE A 11 3.513 -19.807 -19.887 1.00 0.00 O ATOM 147 CB ILE A 11 4.923 -16.891 -20.648 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.757 -15.415 -20.282 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.940 -17.271 -21.755 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.115 -14.457 -21.397 1.00 0.00 C ATOM 0 H ILE A 11 6.542 -17.011 -18.738 1.00 0.00 H new ATOM 0 HA ILE A 11 3.766 -17.474 -18.927 1.00 0.00 H new ATOM 0 HB ILE A 11 5.934 -17.060 -21.019 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.723 -15.240 -19.985 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.379 -15.195 -19.415 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.111 -16.639 -22.626 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.087 -18.316 -22.030 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.919 -17.130 -21.399 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.970 -13.432 -21.056 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.158 -14.601 -21.680 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.476 -14.647 -22.259 1.00 0.00 H new ATOM 162 N CYS A 12 5.750 -19.881 -19.985 1.00 0.00 N ATOM 163 CA CYS A 12 5.782 -21.266 -20.430 1.00 0.00 C ATOM 164 C CYS A 12 6.281 -22.197 -19.328 1.00 0.00 C ATOM 165 O CYS A 12 6.258 -23.421 -19.481 1.00 0.00 O ATOM 166 CB CYS A 12 6.682 -21.375 -21.650 1.00 0.00 C ATOM 167 SG CYS A 12 8.376 -20.795 -21.356 1.00 0.00 S ATOM 0 H CYS A 12 6.668 -19.457 -19.853 1.00 0.00 H new ATOM 0 HA CYS A 12 4.767 -21.572 -20.685 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.714 -22.415 -21.976 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.246 -20.799 -22.466 1.00 0.00 H new ATOM 172 N LEU A 13 6.722 -21.603 -18.221 1.00 0.00 N ATOM 173 CA LEU A 13 7.326 -22.321 -17.091 1.00 0.00 C ATOM 174 C LEU A 13 8.554 -23.122 -17.539 1.00 0.00 C ATOM 175 O LEU A 13 8.859 -24.184 -16.989 1.00 0.00 O ATOM 176 CB LEU A 13 6.291 -23.245 -16.421 1.00 0.00 C ATOM 177 CG LEU A 13 5.015 -22.572 -15.905 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.075 -23.599 -15.300 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.341 -21.486 -14.893 1.00 0.00 C ATOM 0 H LEU A 13 6.671 -20.594 -18.078 1.00 0.00 H new ATOM 0 HA LEU A 13 7.655 -21.582 -16.360 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.006 -24.016 -17.137 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.774 -23.750 -15.584 1.00 0.00 H new ATOM 0 HG LEU A 13 4.516 -22.104 -16.754 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.175 -23.101 -14.940 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.804 -24.335 -16.057 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.570 -24.100 -14.468 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.417 -21.025 -14.543 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.871 -21.924 -14.047 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.969 -20.729 -15.362 1.00 0.00 H new ATOM 191 N MET A 14 9.271 -22.593 -18.519 1.00 0.00 N ATOM 192 CA MET A 14 10.479 -23.226 -19.036 1.00 0.00 C ATOM 193 C MET A 14 11.653 -22.259 -19.041 1.00 0.00 C ATOM 194 O MET A 14 11.480 -21.054 -18.853 1.00 0.00 O ATOM 195 CB MET A 14 10.270 -23.796 -20.442 1.00 0.00 C ATOM 196 CG MET A 14 9.324 -24.983 -20.515 1.00 0.00 C ATOM 197 SD MET A 14 9.168 -25.633 -22.191 1.00 0.00 S ATOM 198 CE MET A 14 8.254 -24.308 -22.979 1.00 0.00 C ATOM 0 H MET A 14 9.034 -21.714 -18.979 1.00 0.00 H new ATOM 0 HA MET A 14 10.708 -24.053 -18.364 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.887 -23.004 -21.086 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.238 -24.095 -20.845 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.683 -25.772 -19.854 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.341 -24.684 -20.151 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.261 -24.454 -24.059 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.225 -24.311 -22.619 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.719 -23.352 -22.739 1.00 0.00 H new ATOM 208 N ALA A 15 12.846 -22.803 -19.245 1.00 0.00 N ATOM 209 CA ALA A 15 14.071 -22.020 -19.319 1.00 0.00 C ATOM 210 C ALA A 15 14.000 -21.059 -20.499 1.00 0.00 C ATOM 211 O ALA A 15 13.341 -21.352 -21.503 1.00 0.00 O ATOM 212 CB ALA A 15 15.270 -22.948 -19.457 1.00 0.00 C ATOM 0 H ALA A 15 12.991 -23.806 -19.364 1.00 0.00 H new ATOM 0 HA ALA A 15 14.184 -21.439 -18.404 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.184 -22.356 -19.512 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.318 -23.611 -18.593 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.168 -23.542 -20.365 1.00 0.00 H new ATOM 218 N LEU A 16 14.682 -19.930 -20.390 1.00 0.00 N ATOM 219 CA LEU A 16 14.571 -18.881 -21.394 1.00 0.00 C ATOM 220 C LEU A 16 15.224 -19.319 -22.690 1.00 0.00 C ATOM 221 O LEU A 16 16.422 -19.582 -22.734 1.00 0.00 O ATOM 222 CB LEU A 16 15.270 -17.612 -20.904 1.00 0.00 C ATOM 223 CG LEU A 16 14.729 -16.972 -19.631 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.584 -15.792 -19.221 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.286 -16.543 -19.811 1.00 0.00 C ATOM 0 H LEU A 16 15.316 -19.716 -19.620 1.00 0.00 H new ATOM 0 HA LEU A 16 13.513 -18.684 -21.564 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.323 -17.845 -20.745 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.225 -16.871 -21.702 1.00 0.00 H new ATOM 0 HG LEU A 16 14.766 -17.718 -18.837 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.181 -15.349 -18.310 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.605 -16.128 -19.040 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.583 -15.048 -20.017 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.924 -16.089 -18.889 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.220 -15.818 -20.622 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.675 -17.413 -20.052 1.00 0.00 H new ATOM 237 N ARG A 17 14.431 -19.395 -23.735 1.00 0.00 N ATOM 238 CA ARG A 17 14.929 -19.790 -25.040 1.00 0.00 C ATOM 239 C ARG A 17 15.838 -18.715 -25.637 1.00 0.00 C ATOM 240 O ARG A 17 16.911 -19.012 -26.145 1.00 0.00 O ATOM 241 CB ARG A 17 13.746 -20.082 -25.971 1.00 0.00 C ATOM 242 CG ARG A 17 14.121 -20.534 -27.379 1.00 0.00 C ATOM 243 CD ARG A 17 14.883 -21.845 -27.367 1.00 0.00 C ATOM 244 NE ARG A 17 14.119 -22.944 -26.775 1.00 0.00 N ATOM 245 CZ ARG A 17 14.643 -24.135 -26.473 1.00 0.00 C ATOM 246 NH1 ARG A 17 15.917 -24.396 -26.756 1.00 0.00 N ATOM 247 NH2 ARG A 17 13.895 -25.067 -25.903 1.00 0.00 N ATOM 0 H ARG A 17 13.433 -19.188 -23.709 1.00 0.00 H new ATOM 0 HA ARG A 17 15.528 -20.694 -24.927 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.126 -20.852 -25.513 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.134 -19.183 -26.047 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.217 -20.645 -27.978 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.728 -19.765 -27.858 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.157 -22.109 -28.388 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.812 -21.714 -26.811 1.00 0.00 H new ATOM 0 HE ARG A 17 13.129 -22.792 -26.582 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.496 -23.686 -27.205 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.315 -25.306 -26.524 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.915 -24.877 -25.693 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.299 -25.975 -25.674 1.00 0.00 H new ATOM 261 N GLU A 18 15.409 -17.469 -25.562 1.00 0.00 N ATOM 262 CA GLU A 18 16.205 -16.361 -26.081 1.00 0.00 C ATOM 263 C GLU A 18 16.624 -15.389 -24.997 1.00 0.00 C ATOM 264 O GLU A 18 17.549 -14.598 -25.199 1.00 0.00 O ATOM 265 CB GLU A 18 15.454 -15.631 -27.186 1.00 0.00 C ATOM 266 CG GLU A 18 15.347 -16.417 -28.476 1.00 0.00 C ATOM 267 CD GLU A 18 16.698 -16.628 -29.114 1.00 0.00 C ATOM 268 OE1 GLU A 18 17.382 -15.620 -29.419 1.00 0.00 O ATOM 269 OE2 GLU A 18 17.102 -17.791 -29.299 1.00 0.00 O ATOM 0 H GLU A 18 14.518 -17.194 -25.149 1.00 0.00 H new ATOM 0 HA GLU A 18 17.116 -16.794 -26.494 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.451 -15.391 -26.833 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.955 -14.685 -27.389 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.884 -17.383 -28.276 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.695 -15.889 -29.171 1.00 0.00 H new ATOM 276 N ALA A 19 15.951 -15.476 -23.849 1.00 0.00 N ATOM 277 CA ALA A 19 16.190 -14.596 -22.703 1.00 0.00 C ATOM 278 C ALA A 19 16.075 -13.113 -23.062 1.00 0.00 C ATOM 279 O ALA A 19 17.059 -12.471 -23.420 1.00 0.00 O ATOM 280 CB ALA A 19 17.532 -14.890 -22.042 1.00 0.00 C ATOM 0 H ALA A 19 15.217 -16.166 -23.686 1.00 0.00 H new ATOM 0 HA ALA A 19 15.399 -14.812 -21.984 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.676 -14.218 -21.196 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.547 -15.922 -21.693 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.334 -14.740 -22.765 1.00 0.00 H new ATOM 286 N VAL A 20 14.872 -12.574 -22.984 1.00 0.00 N ATOM 287 CA VAL A 20 14.691 -11.159 -23.227 1.00 0.00 C ATOM 288 C VAL A 20 14.453 -10.400 -21.936 1.00 0.00 C ATOM 289 O VAL A 20 13.493 -10.659 -21.202 1.00 0.00 O ATOM 290 CB VAL A 20 13.596 -10.820 -24.287 1.00 0.00 C ATOM 291 CG1 VAL A 20 13.967 -11.404 -25.632 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.214 -11.296 -23.863 1.00 0.00 C ATOM 0 H VAL A 20 14.020 -13.087 -22.758 1.00 0.00 H new ATOM 0 HA VAL A 20 15.632 -10.825 -23.664 1.00 0.00 H new ATOM 0 HB VAL A 20 13.550 -9.734 -24.368 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.194 -11.159 -26.361 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.919 -10.987 -25.959 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.055 -12.487 -25.547 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.488 -11.037 -24.633 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.228 -12.377 -23.726 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.936 -10.815 -22.925 1.00 0.00 H new ATOM 302 N GLN A 21 15.367 -9.506 -21.639 1.00 0.00 N ATOM 303 CA GLN A 21 15.245 -8.624 -20.502 1.00 0.00 C ATOM 304 C GLN A 21 14.187 -7.568 -20.800 1.00 0.00 C ATOM 305 O GLN A 21 14.170 -6.984 -21.887 1.00 0.00 O ATOM 306 CB GLN A 21 16.602 -7.961 -20.234 1.00 0.00 C ATOM 307 CG GLN A 21 16.629 -7.005 -19.053 1.00 0.00 C ATOM 308 CD GLN A 21 17.999 -6.375 -18.850 1.00 0.00 C ATOM 309 OE1 GLN A 21 19.035 -6.972 -19.172 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.019 -5.172 -18.325 1.00 0.00 N ATOM 0 H GLN A 21 16.220 -9.369 -22.182 1.00 0.00 H new ATOM 0 HA GLN A 21 14.944 -9.187 -19.618 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.344 -8.742 -20.067 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.907 -7.418 -21.129 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.890 -6.219 -19.208 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.340 -7.540 -18.149 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.145 -4.711 -18.072 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.909 -4.698 -18.170 1.00 0.00 H new ATOM 319 N THR A 22 13.296 -7.362 -19.859 1.00 0.00 N ATOM 320 CA THR A 22 12.252 -6.371 -19.998 1.00 0.00 C ATOM 321 C THR A 22 12.559 -5.163 -19.110 1.00 0.00 C ATOM 322 O THR A 22 13.328 -5.280 -18.143 1.00 0.00 O ATOM 323 CB THR A 22 10.882 -6.967 -19.603 1.00 0.00 C ATOM 324 OG1 THR A 22 10.952 -7.472 -18.273 1.00 0.00 O ATOM 325 CG2 THR A 22 10.497 -8.094 -20.550 1.00 0.00 C ATOM 0 H THR A 22 13.273 -7.874 -18.977 1.00 0.00 H new ATOM 0 HA THR A 22 12.212 -6.056 -21.041 1.00 0.00 H new ATOM 0 HB THR A 22 10.128 -6.183 -19.665 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.234 -7.077 -17.735 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.530 -8.502 -20.256 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.435 -7.709 -21.568 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.251 -8.880 -20.505 1.00 0.00 H new ATOM 333 N PRO A 23 11.966 -3.991 -19.411 1.00 0.00 N ATOM 334 CA PRO A 23 12.187 -2.760 -18.633 1.00 0.00 C ATOM 335 C PRO A 23 11.712 -2.876 -17.180 1.00 0.00 C ATOM 336 O PRO A 23 12.203 -2.160 -16.299 1.00 0.00 O ATOM 337 CB PRO A 23 11.361 -1.712 -19.385 1.00 0.00 C ATOM 338 CG PRO A 23 10.349 -2.504 -20.132 1.00 0.00 C ATOM 339 CD PRO A 23 11.048 -3.759 -20.540 1.00 0.00 C ATOM 0 HA PRO A 23 13.247 -2.519 -18.557 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.888 -1.011 -18.697 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.984 -1.125 -20.060 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.482 -2.722 -19.508 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.986 -1.956 -21.002 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.352 -4.587 -20.674 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.584 -3.638 -21.481 1.00 0.00 H new ATOM 347 N CYS A 24 10.766 -3.773 -16.929 1.00 0.00 N ATOM 348 CA CYS A 24 10.270 -3.985 -15.584 1.00 0.00 C ATOM 349 C CYS A 24 11.228 -4.863 -14.772 1.00 0.00 C ATOM 350 O CYS A 24 11.128 -4.941 -13.547 1.00 0.00 O ATOM 351 CB CYS A 24 8.849 -4.547 -15.600 1.00 0.00 C ATOM 352 SG CYS A 24 8.611 -5.998 -16.669 1.00 0.00 S ATOM 0 H CYS A 24 10.331 -4.361 -17.640 1.00 0.00 H new ATOM 0 HA CYS A 24 10.224 -3.017 -15.086 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.568 -4.815 -14.581 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.167 -3.761 -15.922 1.00 0.00 H new ATOM 357 N GLY A 25 12.154 -5.524 -15.462 1.00 0.00 N ATOM 358 CA GLY A 25 13.163 -6.313 -14.781 1.00 0.00 C ATOM 359 C GLY A 25 12.918 -7.804 -14.857 1.00 0.00 C ATOM 360 O GLY A 25 13.616 -8.585 -14.205 1.00 0.00 O ATOM 0 H GLY A 25 12.223 -5.527 -16.480 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.139 -6.091 -15.213 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.202 -6.012 -13.734 1.00 0.00 H new ATOM 364 N HIS A 26 11.949 -8.204 -15.652 1.00 0.00 N ATOM 365 CA HIS A 26 11.614 -9.614 -15.804 1.00 0.00 C ATOM 366 C HIS A 26 12.236 -10.183 -17.066 1.00 0.00 C ATOM 367 O HIS A 26 12.648 -9.431 -17.958 1.00 0.00 O ATOM 368 CB HIS A 26 10.097 -9.824 -15.824 1.00 0.00 C ATOM 369 CG HIS A 26 9.440 -9.502 -14.526 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.758 -8.324 -14.291 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.389 -10.205 -13.369 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.327 -8.321 -13.041 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.695 -9.446 -12.462 1.00 0.00 N ATOM 0 H HIS A 26 11.373 -7.573 -16.209 1.00 0.00 H new ATOM 0 HA HIS A 26 12.022 -10.144 -14.943 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.662 -9.204 -16.607 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.884 -10.861 -16.084 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.611 -7.578 -14.971 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.816 -11.182 -13.194 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.765 -7.527 -12.572 1.00 0.00 H new ATOM 380 N ARG A 27 12.326 -11.486 -17.143 1.00 0.00 N ATOM 381 CA ARG A 27 12.859 -12.134 -18.320 1.00 0.00 C ATOM 382 C ARG A 27 11.856 -13.128 -18.870 1.00 0.00 C ATOM 383 O ARG A 27 11.216 -13.866 -18.116 1.00 0.00 O ATOM 384 CB ARG A 27 14.173 -12.843 -18.012 1.00 0.00 C ATOM 385 CG ARG A 27 15.325 -11.921 -17.653 1.00 0.00 C ATOM 386 CD ARG A 27 16.572 -12.726 -17.337 1.00 0.00 C ATOM 387 NE ARG A 27 17.695 -11.880 -16.951 1.00 0.00 N ATOM 388 CZ ARG A 27 18.125 -11.718 -15.694 1.00 0.00 C ATOM 389 NH1 ARG A 27 17.549 -12.381 -14.689 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.143 -10.911 -15.448 1.00 0.00 N ATOM 0 H ARG A 27 12.036 -12.124 -16.402 1.00 0.00 H new ATOM 0 HA ARG A 27 13.052 -11.364 -19.067 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.011 -13.537 -17.187 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.460 -13.439 -18.878 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.525 -11.240 -18.480 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.053 -11.308 -16.794 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.354 -13.427 -16.531 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.850 -13.319 -18.209 1.00 0.00 H new ATOM 0 HE ARG A 27 18.187 -11.377 -17.690 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.774 -13.018 -14.876 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.884 -12.251 -13.734 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.597 -10.415 -16.215 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.474 -10.785 -14.492 1.00 0.00 H new ATOM 404 N PHE A 28 11.724 -13.132 -20.172 1.00 0.00 N ATOM 405 CA PHE A 28 10.809 -14.014 -20.875 1.00 0.00 C ATOM 406 C PHE A 28 11.510 -14.544 -22.110 1.00 0.00 C ATOM 407 O PHE A 28 12.591 -14.058 -22.464 1.00 0.00 O ATOM 408 CB PHE A 28 9.548 -13.252 -21.311 1.00 0.00 C ATOM 409 CG PHE A 28 8.751 -12.639 -20.188 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.778 -13.365 -19.534 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.976 -11.327 -19.796 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.042 -12.801 -18.510 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.245 -10.758 -18.774 1.00 0.00 C ATOM 414 CZ PHE A 28 7.275 -11.496 -18.130 1.00 0.00 C ATOM 0 H PHE A 28 12.254 -12.516 -20.788 1.00 0.00 H new ATOM 0 HA PHE A 28 10.516 -14.828 -20.212 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.841 -12.461 -22.002 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.902 -13.935 -21.863 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.589 -14.387 -19.826 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.734 -10.744 -20.298 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.284 -13.382 -18.007 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.432 -9.736 -18.479 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.699 -11.054 -17.330 1.00 0.00 H new ATOM 424 N CYS A 29 10.947 -15.547 -22.742 1.00 0.00 N ATOM 425 CA CYS A 29 11.454 -15.974 -24.026 1.00 0.00 C ATOM 426 C CYS A 29 10.998 -14.985 -25.096 1.00 0.00 C ATOM 427 O CYS A 29 9.979 -14.306 -24.930 1.00 0.00 O ATOM 428 CB CYS A 29 10.972 -17.376 -24.360 1.00 0.00 C ATOM 429 SG CYS A 29 11.367 -18.611 -23.087 1.00 0.00 S ATOM 0 H CYS A 29 10.148 -16.077 -22.394 1.00 0.00 H new ATOM 0 HA CYS A 29 12.543 -15.997 -23.990 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.892 -17.353 -24.508 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.417 -17.687 -25.305 1.00 0.00 H new ATOM 434 N LYS A 30 11.724 -14.932 -26.199 1.00 0.00 N ATOM 435 CA LYS A 30 11.520 -13.899 -27.208 1.00 0.00 C ATOM 436 C LYS A 30 10.266 -14.174 -28.043 1.00 0.00 C ATOM 437 O LYS A 30 9.881 -13.378 -28.885 1.00 0.00 O ATOM 438 CB LYS A 30 12.764 -13.761 -28.102 1.00 0.00 C ATOM 439 CG LYS A 30 12.786 -12.520 -28.978 1.00 0.00 C ATOM 440 CD LYS A 30 14.089 -12.411 -29.745 1.00 0.00 C ATOM 441 CE LYS A 30 14.150 -11.125 -30.557 1.00 0.00 C ATOM 442 NZ LYS A 30 13.044 -11.028 -31.536 1.00 0.00 N ATOM 0 H LYS A 30 12.466 -15.596 -26.422 1.00 0.00 H new ATOM 0 HA LYS A 30 11.366 -12.951 -26.692 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.651 -13.757 -27.468 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.834 -14.641 -28.741 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.951 -12.551 -29.678 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.650 -11.633 -28.359 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.927 -12.443 -29.048 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.194 -13.268 -30.410 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.112 -10.270 -29.883 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.104 -11.074 -31.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.218 -10.228 -32.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.990 -11.908 -32.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.146 -10.879 -31.032 1.00 0.00 H new ATOM 456 N ALA A 31 9.632 -15.293 -27.796 1.00 0.00 N ATOM 457 CA ALA A 31 8.420 -15.635 -28.511 1.00 0.00 C ATOM 458 C ALA A 31 7.235 -15.671 -27.558 1.00 0.00 C ATOM 459 O ALA A 31 6.095 -15.429 -27.960 1.00 0.00 O ATOM 460 CB ALA A 31 8.584 -16.979 -29.211 1.00 0.00 C ATOM 0 H ALA A 31 9.931 -15.984 -27.108 1.00 0.00 H new ATOM 0 HA ALA A 31 8.231 -14.871 -29.265 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.666 -17.225 -29.745 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.411 -16.922 -29.918 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.792 -17.752 -28.471 1.00 0.00 H new ATOM 466 N CYS A 32 7.501 -15.941 -26.291 1.00 0.00 N ATOM 467 CA CYS A 32 6.450 -15.988 -25.292 1.00 0.00 C ATOM 468 C CYS A 32 5.924 -14.598 -24.978 1.00 0.00 C ATOM 469 O CYS A 32 4.716 -14.382 -24.933 1.00 0.00 O ATOM 470 CB CYS A 32 6.953 -16.662 -24.025 1.00 0.00 C ATOM 471 SG CYS A 32 7.681 -18.302 -24.303 1.00 0.00 S ATOM 0 H CYS A 32 8.436 -16.131 -25.931 1.00 0.00 H new ATOM 0 HA CYS A 32 5.626 -16.574 -25.700 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.698 -16.020 -23.555 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.125 -16.757 -23.323 1.00 0.00 H new ATOM 476 N ILE A 33 6.833 -13.648 -24.782 1.00 0.00 N ATOM 477 CA ILE A 33 6.437 -12.294 -24.433 1.00 0.00 C ATOM 478 C ILE A 33 5.674 -11.625 -25.582 1.00 0.00 C ATOM 479 O ILE A 33 4.689 -10.932 -25.360 1.00 0.00 O ATOM 480 CB ILE A 33 7.635 -11.417 -23.966 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.148 -10.082 -23.385 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.637 -11.186 -25.090 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.291 -10.232 -22.142 1.00 0.00 C ATOM 0 H ILE A 33 7.840 -13.792 -24.859 1.00 0.00 H new ATOM 0 HA ILE A 33 5.764 -12.378 -23.580 1.00 0.00 H new ATOM 0 HB ILE A 33 8.149 -11.965 -23.176 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.013 -9.463 -23.146 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.577 -9.551 -24.147 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.458 -10.570 -24.724 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.027 -12.144 -25.432 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.143 -10.678 -25.919 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.985 -9.247 -21.790 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.407 -10.823 -22.379 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.865 -10.734 -21.363 1.00 0.00 H new ATOM 495 N ILE A 34 6.106 -11.886 -26.813 1.00 0.00 N ATOM 496 CA ILE A 34 5.444 -11.349 -27.998 1.00 0.00 C ATOM 497 C ILE A 34 4.010 -11.867 -28.087 1.00 0.00 C ATOM 498 O ILE A 34 3.075 -11.109 -28.345 1.00 0.00 O ATOM 499 CB ILE A 34 6.233 -11.647 -29.306 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.545 -10.851 -29.325 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.402 -11.345 -30.548 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.453 -11.185 -30.491 1.00 0.00 C ATOM 0 H ILE A 34 6.917 -12.470 -27.016 1.00 0.00 H new ATOM 0 HA ILE A 34 5.418 -10.264 -27.893 1.00 0.00 H new ATOM 0 HB ILE A 34 6.464 -12.712 -29.322 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.312 -9.787 -29.353 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.083 -11.035 -28.395 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.988 -11.566 -31.440 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.503 -11.961 -30.543 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.121 -10.292 -30.550 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.358 -10.581 -30.432 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.719 -12.241 -30.454 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.936 -10.974 -31.427 1.00 0.00 H new ATOM 514 N LYS A 35 3.835 -13.144 -27.806 1.00 0.00 N ATOM 515 CA LYS A 35 2.530 -13.785 -27.906 1.00 0.00 C ATOM 516 C LYS A 35 1.668 -13.446 -26.675 1.00 0.00 C ATOM 517 O LYS A 35 0.514 -13.853 -26.564 1.00 0.00 O ATOM 518 CB LYS A 35 2.711 -15.309 -28.055 1.00 0.00 C ATOM 519 CG LYS A 35 1.418 -16.106 -28.234 1.00 0.00 C ATOM 520 CD LYS A 35 0.699 -15.743 -29.529 1.00 0.00 C ATOM 521 CE LYS A 35 1.504 -16.132 -30.762 1.00 0.00 C ATOM 522 NZ LYS A 35 1.737 -17.594 -30.835 1.00 0.00 N ATOM 0 H LYS A 35 4.585 -13.766 -27.504 1.00 0.00 H new ATOM 0 HA LYS A 35 2.011 -13.409 -28.788 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.357 -15.500 -28.912 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.231 -15.685 -27.174 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.646 -17.172 -28.232 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.757 -15.920 -27.388 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.270 -16.242 -29.557 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.505 -14.670 -29.547 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.976 -15.804 -31.658 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.462 -15.613 -30.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.088 -17.843 -31.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.441 -17.869 -30.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.845 -18.097 -30.654 1.00 0.00 H new ATOM 536 N SER A 36 2.222 -12.679 -25.769 1.00 0.00 N ATOM 537 CA SER A 36 1.482 -12.258 -24.611 1.00 0.00 C ATOM 538 C SER A 36 1.072 -10.792 -24.763 1.00 0.00 C ATOM 539 O SER A 36 0.045 -10.368 -24.232 1.00 0.00 O ATOM 540 CB SER A 36 2.337 -12.452 -23.348 1.00 0.00 C ATOM 541 OG SER A 36 1.594 -12.186 -22.168 1.00 0.00 O ATOM 0 H SER A 36 3.181 -12.335 -25.813 1.00 0.00 H new ATOM 0 HA SER A 36 0.580 -12.863 -24.517 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.716 -13.474 -23.318 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.203 -11.792 -23.390 1.00 0.00 H new ATOM 0 HG SER A 36 2.033 -12.611 -21.402 1.00 0.00 H new ATOM 547 N ILE A 37 1.829 -10.037 -25.557 1.00 0.00 N ATOM 548 CA ILE A 37 1.594 -8.605 -25.660 1.00 0.00 C ATOM 549 C ILE A 37 0.885 -8.199 -26.949 1.00 0.00 C ATOM 550 O ILE A 37 0.378 -7.085 -27.051 1.00 0.00 O ATOM 551 CB ILE A 37 2.900 -7.790 -25.500 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.920 -8.187 -26.575 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.477 -7.969 -24.099 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.190 -7.371 -26.556 1.00 0.00 C ATOM 0 H ILE A 37 2.597 -10.389 -26.128 1.00 0.00 H new ATOM 0 HA ILE A 37 0.926 -8.368 -24.832 1.00 0.00 H new ATOM 0 HB ILE A 37 2.667 -6.734 -25.634 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.176 -9.239 -26.446 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.454 -8.090 -27.555 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.395 -7.388 -24.007 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.753 -7.624 -23.361 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.696 -9.023 -23.928 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.856 -7.716 -27.347 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.950 -6.320 -26.717 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.683 -7.487 -25.591 1.00 0.00 H new ATOM 566 N ARG A 38 0.843 -9.086 -27.934 1.00 0.00 N ATOM 567 CA ARG A 38 0.088 -8.790 -29.151 1.00 0.00 C ATOM 568 C ARG A 38 -1.188 -9.610 -29.191 1.00 0.00 C ATOM 569 O ARG A 38 -1.992 -9.489 -30.109 1.00 0.00 O ATOM 570 CB ARG A 38 0.921 -9.042 -30.413 1.00 0.00 C ATOM 571 CG ARG A 38 1.222 -10.505 -30.706 1.00 0.00 C ATOM 572 CD ARG A 38 2.103 -10.642 -31.931 1.00 0.00 C ATOM 573 NE ARG A 38 1.459 -10.115 -33.130 1.00 0.00 N ATOM 574 CZ ARG A 38 2.079 -9.432 -34.096 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.387 -9.184 -34.019 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.392 -9.008 -35.138 1.00 0.00 N ATOM 0 H ARG A 38 1.308 -9.994 -27.921 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.167 -7.731 -29.131 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.395 -8.617 -31.268 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.865 -8.504 -30.320 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.715 -10.958 -29.846 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.290 -11.048 -30.861 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.042 -10.115 -31.763 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.350 -11.693 -32.084 1.00 0.00 H new ATOM 0 HE ARG A 38 0.458 -10.281 -33.239 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.923 -9.517 -33.217 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.852 -8.662 -34.762 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.393 -9.202 -35.203 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.860 -8.486 -35.879 1.00 0.00 H new ATOM 590 N ASP A 39 -1.361 -10.449 -28.186 1.00 0.00 N ATOM 591 CA ASP A 39 -2.493 -11.362 -28.151 1.00 0.00 C ATOM 592 C ASP A 39 -3.412 -11.075 -26.973 1.00 0.00 C ATOM 593 O ASP A 39 -4.627 -10.928 -27.143 1.00 0.00 O ATOM 594 CB ASP A 39 -2.003 -12.807 -28.121 1.00 0.00 C ATOM 595 CG ASP A 39 -3.125 -13.818 -28.076 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.789 -14.030 -29.112 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.343 -14.420 -27.003 1.00 0.00 O ATOM 0 H ASP A 39 -0.735 -10.519 -27.384 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.077 -11.208 -29.059 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.390 -12.994 -29.003 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.361 -12.948 -27.251 1.00 0.00 H new ATOM 602 N ALA A 40 -2.838 -10.982 -25.783 1.00 0.00 N ATOM 603 CA ALA A 40 -3.616 -10.715 -24.582 1.00 0.00 C ATOM 604 C ALA A 40 -3.691 -9.217 -24.309 1.00 0.00 C ATOM 605 O ALA A 40 -4.751 -8.603 -24.445 1.00 0.00 O ATOM 606 CB ALA A 40 -3.033 -11.460 -23.390 1.00 0.00 C ATOM 0 H ALA A 40 -1.836 -11.087 -25.623 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.631 -11.077 -24.743 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.628 -11.248 -22.502 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.047 -12.532 -23.589 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.006 -11.135 -23.225 1.00 0.00 H new ATOM 612 N GLY A 41 -2.565 -8.638 -23.945 1.00 0.00 N ATOM 613 CA GLY A 41 -2.495 -7.218 -23.688 1.00 0.00 C ATOM 614 C GLY A 41 -1.073 -6.742 -23.792 1.00 0.00 C ATOM 615 O GLY A 41 -0.154 -7.520 -23.577 1.00 0.00 O ATOM 0 H GLY A 41 -1.682 -9.134 -23.821 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.119 -6.681 -24.402 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.887 -7.001 -22.694 1.00 0.00 H new ATOM 619 N HIS A 42 -0.879 -5.472 -24.093 1.00 0.00 N ATOM 620 CA HIS A 42 0.460 -4.933 -24.359 1.00 0.00 C ATOM 621 C HIS A 42 1.202 -4.631 -23.045 1.00 0.00 C ATOM 622 O HIS A 42 1.840 -3.590 -22.888 1.00 0.00 O ATOM 623 CB HIS A 42 0.349 -3.676 -25.240 1.00 0.00 C ATOM 624 CG HIS A 42 1.590 -3.360 -26.031 1.00 0.00 C ATOM 625 ND1 HIS A 42 2.119 -2.091 -26.145 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.373 -4.158 -26.795 1.00 0.00 C ATOM 627 CE1 HIS A 42 3.168 -2.127 -26.945 1.00 0.00 C ATOM 628 NE2 HIS A 42 3.346 -3.369 -27.355 1.00 0.00 N ATOM 0 H HIS A 42 -1.629 -4.784 -24.162 1.00 0.00 H new ATOM 0 HA HIS A 42 1.043 -5.682 -24.896 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.485 -3.803 -25.930 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.110 -2.822 -24.606 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.757 -1.257 -25.684 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.253 -5.222 -26.938 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.780 -1.280 -27.219 1.00 0.00 H new ATOM 637 N LYS A 43 1.128 -5.572 -22.128 1.00 0.00 N ATOM 638 CA LYS A 43 1.751 -5.470 -20.834 1.00 0.00 C ATOM 639 C LYS A 43 2.248 -6.841 -20.417 1.00 0.00 C ATOM 640 O LYS A 43 1.717 -7.858 -20.884 1.00 0.00 O ATOM 641 CB LYS A 43 0.755 -4.922 -19.792 1.00 0.00 C ATOM 642 CG LYS A 43 -0.431 -5.835 -19.499 1.00 0.00 C ATOM 643 CD LYS A 43 -1.310 -5.274 -18.387 1.00 0.00 C ATOM 644 CE LYS A 43 -2.008 -3.988 -18.797 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.998 -4.212 -19.874 1.00 0.00 N ATOM 0 H LYS A 43 0.621 -6.446 -22.268 1.00 0.00 H new ATOM 0 HA LYS A 43 2.591 -4.777 -20.892 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.291 -4.735 -18.861 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.378 -3.961 -20.141 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.025 -5.962 -20.404 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.069 -6.823 -19.214 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.057 -6.017 -18.108 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.700 -5.088 -17.503 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.507 -3.555 -17.930 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.266 -3.264 -19.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.590 -3.364 -19.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.502 -4.405 -20.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.599 -5.025 -19.629 1.00 0.00 H new ATOM 659 N CYS A 44 3.259 -6.882 -19.565 1.00 0.00 N ATOM 660 CA CYS A 44 3.762 -8.144 -19.072 1.00 0.00 C ATOM 661 C CYS A 44 2.684 -8.859 -18.243 1.00 0.00 C ATOM 662 O CYS A 44 2.006 -8.233 -17.421 1.00 0.00 O ATOM 663 CB CYS A 44 5.059 -7.935 -18.277 1.00 0.00 C ATOM 664 SG CYS A 44 4.996 -6.577 -17.067 1.00 0.00 S ATOM 0 H CYS A 44 3.742 -6.059 -19.205 1.00 0.00 H new ATOM 0 HA CYS A 44 4.004 -8.787 -19.918 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.302 -8.860 -17.753 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.872 -7.743 -18.977 1.00 0.00 H new ATOM 669 N PRO A 45 2.504 -10.170 -18.458 1.00 0.00 N ATOM 670 CA PRO A 45 1.404 -10.935 -17.849 1.00 0.00 C ATOM 671 C PRO A 45 1.456 -10.971 -16.323 1.00 0.00 C ATOM 672 O PRO A 45 0.421 -11.042 -15.665 1.00 0.00 O ATOM 673 CB PRO A 45 1.593 -12.347 -18.424 1.00 0.00 C ATOM 674 CG PRO A 45 3.028 -12.398 -18.817 1.00 0.00 C ATOM 675 CD PRO A 45 3.349 -11.021 -19.313 1.00 0.00 C ATOM 0 HA PRO A 45 0.438 -10.483 -18.074 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.356 -13.112 -17.685 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.940 -12.518 -19.280 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.659 -12.668 -17.970 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.198 -13.145 -19.592 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.407 -10.786 -19.201 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.107 -10.903 -20.369 1.00 0.00 H new ATOM 683 N VAL A 46 2.659 -10.897 -15.778 1.00 0.00 N ATOM 684 CA VAL A 46 2.865 -11.048 -14.347 1.00 0.00 C ATOM 685 C VAL A 46 2.514 -9.766 -13.586 1.00 0.00 C ATOM 686 O VAL A 46 1.505 -9.698 -12.882 1.00 0.00 O ATOM 687 CB VAL A 46 4.330 -11.457 -14.032 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.530 -11.681 -12.538 1.00 0.00 C ATOM 689 CG2 VAL A 46 4.720 -12.701 -14.818 1.00 0.00 C ATOM 0 H VAL A 46 3.514 -10.732 -16.310 1.00 0.00 H new ATOM 0 HA VAL A 46 2.195 -11.841 -14.014 1.00 0.00 H new ATOM 0 HB VAL A 46 4.980 -10.637 -14.338 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.565 -11.966 -12.348 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.302 -10.762 -11.999 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.866 -12.476 -12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.750 -12.972 -14.584 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.058 -13.524 -14.548 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.632 -12.499 -15.886 1.00 0.00 H new ATOM 699 N ASP A 47 3.349 -8.759 -13.739 1.00 0.00 N ATOM 700 CA ASP A 47 3.232 -7.518 -12.985 1.00 0.00 C ATOM 701 C ASP A 47 2.475 -6.442 -13.747 1.00 0.00 C ATOM 702 O ASP A 47 2.358 -5.310 -13.277 1.00 0.00 O ATOM 703 CB ASP A 47 4.621 -7.015 -12.596 1.00 0.00 C ATOM 704 CG ASP A 47 5.555 -6.920 -13.785 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.709 -7.909 -14.530 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.177 -5.873 -14.002 1.00 0.00 O ATOM 0 H ASP A 47 4.133 -8.774 -14.392 1.00 0.00 H new ATOM 0 HA ASP A 47 2.654 -7.736 -12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.532 -6.034 -12.129 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.052 -7.685 -11.852 1.00 0.00 H new ATOM 711 N ASN A 48 1.961 -6.807 -14.915 1.00 0.00 N ATOM 712 CA ASN A 48 1.013 -5.983 -15.687 1.00 0.00 C ATOM 713 C ASN A 48 1.522 -4.579 -16.036 1.00 0.00 C ATOM 714 O ASN A 48 0.733 -3.642 -16.127 1.00 0.00 O ATOM 715 CB ASN A 48 -0.340 -5.904 -14.970 1.00 0.00 C ATOM 716 CG ASN A 48 -1.100 -7.221 -14.975 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.859 -7.509 -14.054 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.909 -8.028 -16.007 1.00 0.00 N ATOM 0 H ASN A 48 2.188 -7.693 -15.366 1.00 0.00 H new ATOM 0 HA ASN A 48 0.897 -6.494 -16.643 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.179 -5.589 -13.939 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.952 -5.138 -15.446 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.400 -8.921 -16.054 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.271 -7.757 -16.755 1.00 0.00 H new ATOM 725 N GLU A 49 2.805 -4.440 -16.277 1.00 0.00 N ATOM 726 CA GLU A 49 3.361 -3.145 -16.667 1.00 0.00 C ATOM 727 C GLU A 49 3.277 -2.979 -18.165 1.00 0.00 C ATOM 728 O GLU A 49 3.483 -3.943 -18.903 1.00 0.00 O ATOM 729 CB GLU A 49 4.809 -3.022 -16.211 1.00 0.00 C ATOM 730 CG GLU A 49 4.960 -2.922 -14.713 1.00 0.00 C ATOM 731 CD GLU A 49 4.358 -1.653 -14.166 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.782 -0.553 -14.591 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.471 -1.731 -13.307 1.00 0.00 O ATOM 0 H GLU A 49 3.487 -5.196 -16.213 1.00 0.00 H new ATOM 0 HA GLU A 49 2.779 -2.359 -16.185 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.369 -3.886 -16.568 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.254 -2.141 -16.673 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.482 -3.781 -14.243 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.018 -2.963 -14.452 1.00 0.00 H new ATOM 740 N ILE A 50 2.979 -1.762 -18.622 1.00 0.00 N ATOM 741 CA ILE A 50 2.852 -1.509 -20.051 1.00 0.00 C ATOM 742 C ILE A 50 4.208 -1.718 -20.682 1.00 0.00 C ATOM 743 O ILE A 50 5.181 -1.030 -20.349 1.00 0.00 O ATOM 744 CB ILE A 50 2.337 -0.065 -20.377 1.00 0.00 C ATOM 745 CG1 ILE A 50 0.917 0.181 -19.828 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.361 0.195 -21.880 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.836 0.386 -18.328 1.00 0.00 C ATOM 0 H ILE A 50 2.823 -0.947 -18.029 1.00 0.00 H new ATOM 0 HA ILE A 50 2.109 -2.198 -20.453 1.00 0.00 H new ATOM 0 HB ILE A 50 3.015 0.630 -19.882 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.500 1.058 -20.322 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.287 -0.667 -20.098 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.999 1.203 -22.081 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.381 0.095 -22.250 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.720 -0.528 -22.385 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.202 0.551 -18.039 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.218 -0.499 -17.819 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.433 1.253 -18.046 1.00 0.00 H new ATOM 759 N LEU A 51 4.272 -2.650 -21.591 1.00 0.00 N ATOM 760 CA LEU A 51 5.532 -3.108 -22.082 1.00 0.00 C ATOM 761 C LEU A 51 5.747 -2.682 -23.508 1.00 0.00 C ATOM 762 O LEU A 51 4.898 -2.906 -24.375 1.00 0.00 O ATOM 763 CB LEU A 51 5.638 -4.632 -21.903 1.00 0.00 C ATOM 764 CG LEU A 51 6.993 -5.276 -22.211 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.143 -6.557 -21.415 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.112 -5.589 -23.695 1.00 0.00 C ATOM 0 H LEU A 51 3.460 -3.107 -22.006 1.00 0.00 H new ATOM 0 HA LEU A 51 6.331 -2.647 -21.501 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.376 -4.871 -20.872 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.888 -5.101 -22.540 1.00 0.00 H new ATOM 0 HG LEU A 51 7.780 -4.575 -21.934 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.108 -7.012 -21.637 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.084 -6.333 -20.350 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.345 -7.249 -21.685 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.081 -6.046 -23.894 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.319 -6.278 -23.986 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.021 -4.667 -24.270 1.00 0.00 H new ATOM 778 N LEU A 52 6.876 -2.059 -23.746 1.00 0.00 N ATOM 779 CA LEU A 52 7.228 -1.623 -25.066 1.00 0.00 C ATOM 780 C LEU A 52 8.133 -2.641 -25.720 1.00 0.00 C ATOM 781 O LEU A 52 9.107 -3.106 -25.126 1.00 0.00 O ATOM 782 CB LEU A 52 7.882 -0.238 -25.053 1.00 0.00 C ATOM 783 CG LEU A 52 6.949 0.971 -24.823 1.00 0.00 C ATOM 784 CD1 LEU A 52 5.801 0.980 -25.815 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.431 1.023 -23.397 1.00 0.00 C ATOM 0 H LEU A 52 7.570 -1.843 -23.031 1.00 0.00 H new ATOM 0 HA LEU A 52 6.311 -1.537 -25.649 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.646 -0.230 -24.275 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.394 -0.095 -26.004 1.00 0.00 H new ATOM 0 HG LEU A 52 7.545 1.868 -24.988 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.163 1.843 -25.626 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.197 1.037 -26.829 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.217 0.066 -25.704 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.779 1.888 -23.278 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.871 0.114 -23.180 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.271 1.105 -22.707 1.00 0.00 H new ATOM 797 N GLU A 53 7.800 -2.964 -26.945 1.00 0.00 N ATOM 798 CA GLU A 53 8.443 -4.006 -27.723 1.00 0.00 C ATOM 799 C GLU A 53 9.880 -3.650 -28.041 1.00 0.00 C ATOM 800 O GLU A 53 10.751 -4.516 -28.070 1.00 0.00 O ATOM 801 CB GLU A 53 7.630 -4.227 -28.983 1.00 0.00 C ATOM 802 CG GLU A 53 6.267 -4.802 -28.674 1.00 0.00 C ATOM 803 CD GLU A 53 5.352 -4.858 -29.856 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.641 -5.583 -30.817 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.308 -4.165 -29.826 1.00 0.00 O ATOM 0 H GLU A 53 7.048 -2.495 -27.450 1.00 0.00 H new ATOM 0 HA GLU A 53 8.478 -4.930 -27.145 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.515 -3.281 -29.512 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.167 -4.902 -29.649 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.390 -5.808 -28.274 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.799 -4.203 -27.893 1.00 0.00 H new ATOM 812 N ASN A 54 10.124 -2.371 -28.266 1.00 0.00 N ATOM 813 CA ASN A 54 11.472 -1.875 -28.545 1.00 0.00 C ATOM 814 C ASN A 54 12.394 -2.096 -27.351 1.00 0.00 C ATOM 815 O ASN A 54 13.599 -2.279 -27.510 1.00 0.00 O ATOM 816 CB ASN A 54 11.443 -0.390 -28.924 1.00 0.00 C ATOM 817 CG ASN A 54 10.822 -0.145 -30.284 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.618 0.085 -30.400 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.631 -0.182 -31.322 1.00 0.00 N ATOM 0 H ASN A 54 9.405 -1.648 -28.262 1.00 0.00 H new ATOM 0 HA ASN A 54 11.863 -2.440 -29.391 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.884 0.162 -28.169 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.460 0.002 -28.918 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.265 -0.017 -32.260 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.624 -0.376 -31.188 1.00 0.00 H new ATOM 826 N GLN A 55 11.819 -2.085 -26.157 1.00 0.00 N ATOM 827 CA GLN A 55 12.582 -2.294 -24.936 1.00 0.00 C ATOM 828 C GLN A 55 12.875 -3.765 -24.648 1.00 0.00 C ATOM 829 O GLN A 55 13.611 -4.071 -23.712 1.00 0.00 O ATOM 830 CB GLN A 55 11.953 -1.606 -23.725 1.00 0.00 C ATOM 831 CG GLN A 55 12.059 -0.092 -23.762 1.00 0.00 C ATOM 832 CD GLN A 55 11.457 0.561 -22.539 1.00 0.00 C ATOM 833 OE1 GLN A 55 12.131 0.729 -21.517 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.210 0.957 -22.630 1.00 0.00 N ATOM 0 H GLN A 55 10.821 -1.933 -26.008 1.00 0.00 H new ATOM 0 HA GLN A 55 13.544 -1.816 -25.119 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.902 -1.887 -23.664 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.434 -1.973 -22.819 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.108 0.194 -23.843 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.557 0.282 -24.654 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.687 0.800 -23.491 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.764 1.422 -21.840 1.00 0.00 H new ATOM 843 N LEU A 56 12.286 -4.673 -25.420 1.00 0.00 N ATOM 844 CA LEU A 56 12.572 -6.095 -25.236 1.00 0.00 C ATOM 845 C LEU A 56 13.986 -6.401 -25.688 1.00 0.00 C ATOM 846 O LEU A 56 14.349 -6.105 -26.833 1.00 0.00 O ATOM 847 CB LEU A 56 11.592 -6.961 -26.035 1.00 0.00 C ATOM 848 CG LEU A 56 10.144 -6.958 -25.568 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.266 -7.723 -26.548 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.047 -7.569 -24.176 1.00 0.00 C ATOM 0 H LEU A 56 11.622 -4.459 -26.164 1.00 0.00 H new ATOM 0 HA LEU A 56 12.462 -6.325 -24.176 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.616 -6.632 -27.074 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.954 -7.989 -26.018 1.00 0.00 H new ATOM 0 HG LEU A 56 9.790 -5.928 -25.526 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.234 -7.711 -26.198 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.322 -7.253 -27.530 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.613 -8.754 -26.619 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.008 -7.564 -23.848 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.414 -8.595 -24.203 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.650 -6.986 -23.480 1.00 0.00 H new ATOM 862 N PHE A 57 14.768 -7.020 -24.785 1.00 0.00 N ATOM 863 CA PHE A 57 16.171 -7.388 -25.028 1.00 0.00 C ATOM 864 C PHE A 57 17.044 -6.111 -25.094 1.00 0.00 C ATOM 865 O PHE A 57 16.586 -5.056 -25.553 1.00 0.00 O ATOM 866 CB PHE A 57 16.301 -8.236 -26.327 1.00 0.00 C ATOM 867 CG PHE A 57 17.595 -9.001 -26.479 1.00 0.00 C ATOM 868 CD1 PHE A 57 17.742 -10.253 -25.905 1.00 0.00 C ATOM 869 CD2 PHE A 57 18.654 -8.478 -27.199 1.00 0.00 C ATOM 870 CE1 PHE A 57 18.917 -10.964 -26.040 1.00 0.00 C ATOM 871 CE2 PHE A 57 19.837 -9.187 -27.338 1.00 0.00 C ATOM 872 CZ PHE A 57 19.966 -10.429 -26.757 1.00 0.00 C ATOM 0 H PHE A 57 14.438 -7.281 -23.856 1.00 0.00 H new ATOM 0 HA PHE A 57 16.527 -8.003 -24.202 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.474 -8.945 -26.361 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.188 -7.573 -27.185 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.924 -10.679 -25.343 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.558 -7.505 -27.658 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.015 -11.938 -25.585 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.657 -8.766 -27.901 1.00 0.00 H new ATOM 0 HZ PHE A 57 20.887 -10.983 -26.863 1.00 0.00 H new ATOM 882 N PRO A 58 18.297 -6.162 -24.613 1.00 0.00 N ATOM 883 CA PRO A 58 19.197 -5.012 -24.677 1.00 0.00 C ATOM 884 C PRO A 58 19.475 -4.586 -26.118 1.00 0.00 C ATOM 885 O PRO A 58 19.469 -5.410 -27.037 1.00 0.00 O ATOM 886 CB PRO A 58 20.478 -5.513 -23.988 1.00 0.00 C ATOM 887 CG PRO A 58 20.394 -6.993 -24.094 1.00 0.00 C ATOM 888 CD PRO A 58 18.937 -7.312 -23.953 1.00 0.00 C ATOM 0 HA PRO A 58 18.774 -4.128 -24.199 1.00 0.00 H new ATOM 0 HB2 PRO A 58 21.371 -5.129 -24.480 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.523 -5.190 -22.948 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.783 -7.343 -25.050 1.00 0.00 H new ATOM 0 HG3 PRO A 58 20.981 -7.478 -23.314 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.679 -8.254 -24.437 1.00 0.00 H new ATOM 0 HD3 PRO A 58 18.639 -7.398 -22.908 1.00 0.00 H new ATOM 896 N ASP A 59 19.695 -3.298 -26.297 1.00 0.00 N ATOM 897 CA ASP A 59 19.847 -2.695 -27.608 1.00 0.00 C ATOM 898 C ASP A 59 21.037 -3.271 -28.349 1.00 0.00 C ATOM 899 O ASP A 59 22.170 -3.225 -27.868 1.00 0.00 O ATOM 900 CB ASP A 59 20.010 -1.187 -27.468 1.00 0.00 C ATOM 901 CG ASP A 59 20.149 -0.490 -28.796 1.00 0.00 C ATOM 902 OD1 ASP A 59 19.150 -0.373 -29.523 1.00 0.00 O ATOM 903 OD2 ASP A 59 21.261 -0.028 -29.115 1.00 0.00 O ATOM 0 H ASP A 59 19.774 -2.633 -25.528 1.00 0.00 H new ATOM 0 HA ASP A 59 18.949 -2.917 -28.185 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.149 -0.781 -26.938 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.888 -0.976 -26.858 1.00 0.00 H new ATOM 908 N ASN A 60 20.773 -3.819 -29.514 1.00 0.00 N ATOM 909 CA ASN A 60 21.808 -4.421 -30.329 1.00 0.00 C ATOM 910 C ASN A 60 22.255 -3.470 -31.412 1.00 0.00 C ATOM 911 O ASN A 60 21.456 -2.688 -31.941 1.00 0.00 O ATOM 912 CB ASN A 60 21.323 -5.719 -30.985 1.00 0.00 C ATOM 913 CG ASN A 60 21.043 -6.839 -30.007 1.00 0.00 C ATOM 914 OD1 ASN A 60 21.653 -6.927 -28.948 1.00 0.00 O ATOM 915 ND2 ASN A 60 20.128 -7.716 -30.370 1.00 0.00 N ATOM 0 H ASN A 60 19.840 -3.861 -29.923 1.00 0.00 H new ATOM 0 HA ASN A 60 22.643 -4.647 -29.666 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.415 -5.510 -31.551 1.00 0.00 H new ATOM 0 HB3 ASN A 60 22.074 -6.055 -31.700 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.906 -8.503 -29.761 1.00 0.00 H new ATOM 0 HD22 ASN A 60 19.642 -7.607 -31.260 1.00 0.00 H new ATOM 922 N PHE A 61 23.516 -3.526 -31.737 1.00 0.00 N ATOM 923 CA PHE A 61 24.054 -2.753 -32.833 1.00 0.00 C ATOM 924 C PHE A 61 24.464 -3.683 -33.968 1.00 0.00 C ATOM 925 O PHE A 61 25.204 -4.650 -33.766 1.00 0.00 O ATOM 926 CB PHE A 61 25.219 -1.849 -32.359 1.00 0.00 C ATOM 927 CG PHE A 61 26.361 -2.572 -31.683 1.00 0.00 C ATOM 928 CD1 PHE A 61 26.343 -2.787 -30.314 1.00 0.00 C ATOM 929 CD2 PHE A 61 27.449 -3.028 -32.410 1.00 0.00 C ATOM 930 CE1 PHE A 61 27.383 -3.440 -29.687 1.00 0.00 C ATOM 931 CE2 PHE A 61 28.492 -3.683 -31.789 1.00 0.00 C ATOM 932 CZ PHE A 61 28.458 -3.890 -30.426 1.00 0.00 C ATOM 0 H PHE A 61 24.203 -4.106 -31.254 1.00 0.00 H new ATOM 0 HA PHE A 61 23.282 -2.084 -33.213 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.612 -1.308 -33.220 1.00 0.00 H new ATOM 0 HB3 PHE A 61 24.822 -1.104 -31.669 1.00 0.00 H new ATOM 0 HD1 PHE A 61 25.503 -2.439 -29.731 1.00 0.00 H new ATOM 0 HD2 PHE A 61 27.481 -2.868 -33.478 1.00 0.00 H new ATOM 0 HE1 PHE A 61 27.356 -3.599 -28.619 1.00 0.00 H new ATOM 0 HE2 PHE A 61 29.333 -4.033 -32.369 1.00 0.00 H new ATOM 0 HZ PHE A 61 29.272 -4.404 -29.937 1.00 0.00 H new ATOM 942 N ALA A 62 23.965 -3.411 -35.148 1.00 0.00 N ATOM 943 CA ALA A 62 24.216 -4.271 -36.278 1.00 0.00 C ATOM 944 C ALA A 62 25.404 -3.788 -37.078 1.00 0.00 C ATOM 945 O ALA A 62 25.270 -2.968 -37.983 1.00 0.00 O ATOM 946 CB ALA A 62 22.985 -4.399 -37.157 1.00 0.00 C ATOM 0 H ALA A 62 23.382 -2.599 -35.351 1.00 0.00 H new ATOM 0 HA ALA A 62 24.453 -5.262 -35.891 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.206 -5.054 -38.000 1.00 0.00 H new ATOM 0 HB2 ALA A 62 22.165 -4.821 -36.576 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.698 -3.415 -37.527 1.00 0.00 H new ATOM 952 N LYS A 63 26.567 -4.270 -36.714 1.00 0.00 N ATOM 953 CA LYS A 63 27.774 -3.971 -37.445 1.00 0.00 C ATOM 954 C LYS A 63 28.314 -5.246 -38.043 1.00 0.00 C ATOM 955 O LYS A 63 27.944 -5.569 -39.188 1.00 0.00 O ATOM 956 CB LYS A 63 28.826 -3.323 -36.537 1.00 0.00 C ATOM 957 CG LYS A 63 28.401 -1.997 -35.916 1.00 0.00 C ATOM 958 CD LYS A 63 28.088 -0.941 -36.969 1.00 0.00 C ATOM 959 CE LYS A 63 29.286 -0.635 -37.863 1.00 0.00 C ATOM 960 NZ LYS A 63 30.483 -0.214 -37.095 1.00 0.00 N ATOM 961 OXT LYS A 63 29.071 -5.954 -37.357 1.00 0.00 O ATOM 0 H LYS A 63 26.704 -4.878 -35.906 1.00 0.00 H new ATOM 0 HA LYS A 63 27.540 -3.260 -38.238 1.00 0.00 H new ATOM 0 HB2 LYS A 63 29.075 -4.020 -35.737 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.736 -3.163 -37.115 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.522 -2.156 -35.291 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.194 -1.633 -35.264 1.00 0.00 H new ATOM 0 HD2 LYS A 63 27.256 -1.282 -37.585 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.764 -0.025 -36.475 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.530 -1.520 -38.451 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.016 0.152 -38.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.227 0.094 -37.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.231 0.573 -36.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.831 -1.014 -36.529 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.041 -19.197 -22.748 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.811 -6.832 -15.674 1.00 0.00 ZN