USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 ASN : amide:sc= -1.94 K(o=-4.1,f=-3.3!) USER MOD Set 1.2: A 64 THR OG1 : rot -160:sc= -2.13! USER MOD Set 2.1: A 11 GLN : amide:sc= -1.29 K(o=-1.2,f=-4.5!) USER MOD Set 2.2: A 21 TYR OH : rot 29:sc= 0.0397 USER MOD Single : A 1 ARG N :NH3+ -116:sc= -0.905 (180deg=-3.67!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -7.82! C(o=-7.8!,f=-9.5!) USER MOD Single : A 8 HIS : no HD1:sc= -3 K(o=-3,f=-6.9!) USER MOD Single : A 10 THR OG1 : rot 87:sc= -2.31! USER MOD Single : A 12 THR OG1 : rot -70:sc= -0.204 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -7.35! C(o=-7.3!,f=-16!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -48:sc= -0.714 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 31 SER OG : rot -20:sc= 0.644 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 49 ASN : amide:sc= -1.28 X(o=-1.3,f=-0.9) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 147:sc= 0.906 (180deg=0.266) USER MOD Single : A 58 SER OG : rot -23:sc= 0.242 USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= 0.03 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.929 14.448 -1.191 1.00 0.00 N ATOM 2 CA ARG A 1 1.974 12.971 -1.369 1.00 0.00 C ATOM 3 C ARG A 1 1.951 12.270 -0.003 1.00 0.00 C ATOM 4 O ARG A 1 2.404 12.800 0.992 1.00 0.00 O ATOM 5 CB ARG A 1 3.255 12.595 -2.140 1.00 0.00 C ATOM 6 CG ARG A 1 4.401 12.264 -1.175 1.00 0.00 C ATOM 7 CD ARG A 1 4.781 13.516 -0.381 1.00 0.00 C ATOM 8 NE ARG A 1 5.391 14.519 -1.299 1.00 0.00 N ATOM 9 CZ ARG A 1 6.660 14.447 -1.594 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.077 13.577 -2.472 1.00 0.00 N ATOM 11 NH2 ARG A 1 7.512 15.246 -1.011 1.00 0.00 N ATOM 0 H1 ARG A 1 1.050 14.821 -1.603 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.960 14.677 -0.177 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.745 14.880 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 1 1.101 12.646 -1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.058 11.738 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.548 13.420 -2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 1 4.099 11.468 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.264 11.898 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.898 13.937 0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.483 13.258 0.412 1.00 0.00 H new ATOM 0 HE ARG A 1 4.816 15.262 -1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.411 12.953 -2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 1 8.069 13.521 -2.703 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.186 15.927 -0.325 1.00 0.00 H new ATOM 0 HH22 ARG A 1 8.504 15.190 -1.242 1.00 0.00 H new ATOM 27 N GLU A 2 1.448 11.066 0.039 1.00 0.00 N ATOM 28 CA GLU A 2 1.416 10.305 1.316 1.00 0.00 C ATOM 29 C GLU A 2 2.203 9.008 1.114 1.00 0.00 C ATOM 30 O GLU A 2 2.340 8.544 0.003 1.00 0.00 O ATOM 31 CB GLU A 2 -0.033 9.981 1.687 1.00 0.00 C ATOM 32 CG GLU A 2 -0.827 11.283 1.825 1.00 0.00 C ATOM 33 CD GLU A 2 -2.298 10.958 2.095 1.00 0.00 C ATOM 34 OE1 GLU A 2 -2.713 9.861 1.759 1.00 0.00 O ATOM 35 OE2 GLU A 2 -2.984 11.812 2.631 1.00 0.00 O ATOM 0 H GLU A 2 1.055 10.575 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 2 1.858 10.893 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.483 9.347 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.064 9.422 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.421 11.884 2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.736 11.875 0.915 1.00 0.00 H new ATOM 42 N CYS A 3 2.729 8.437 2.171 1.00 0.00 N ATOM 43 CA CYS A 3 3.528 7.174 2.061 1.00 0.00 C ATOM 44 C CYS A 3 4.969 7.511 1.695 1.00 0.00 C ATOM 45 O CYS A 3 5.901 7.004 2.284 1.00 0.00 O ATOM 46 CB CYS A 3 2.943 6.240 0.996 1.00 0.00 C ATOM 47 SG CYS A 3 1.235 5.818 1.430 1.00 0.00 S ATOM 0 H CYS A 3 2.637 8.798 3.120 1.00 0.00 H new ATOM 0 HA CYS A 3 3.494 6.666 3.025 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.972 6.722 0.019 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.545 5.334 0.922 1.00 0.00 H new ATOM 52 N TYR A 4 5.152 8.369 0.734 1.00 0.00 N ATOM 53 CA TYR A 4 6.529 8.766 0.313 1.00 0.00 C ATOM 54 C TYR A 4 7.431 7.538 0.241 1.00 0.00 C ATOM 55 O TYR A 4 7.545 6.913 -0.795 1.00 0.00 O ATOM 56 CB TYR A 4 7.117 9.783 1.302 1.00 0.00 C ATOM 57 CG TYR A 4 6.318 9.771 2.600 1.00 0.00 C ATOM 58 CD1 TYR A 4 5.037 10.336 2.639 1.00 0.00 C ATOM 59 CD2 TYR A 4 6.867 9.196 3.754 1.00 0.00 C ATOM 60 CE1 TYR A 4 4.304 10.326 3.833 1.00 0.00 C ATOM 61 CE2 TYR A 4 6.133 9.185 4.948 1.00 0.00 C ATOM 62 CZ TYR A 4 4.851 9.751 4.987 1.00 0.00 C ATOM 63 OH TYR A 4 4.129 9.741 6.163 1.00 0.00 O ATOM 0 H TYR A 4 4.399 8.820 0.214 1.00 0.00 H new ATOM 0 HA TYR A 4 6.470 9.225 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.161 9.543 1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.099 10.781 0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.615 10.779 1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.855 8.762 3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 4 3.316 10.762 3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.555 8.741 5.837 1.00 0.00 H new ATOM 0 HH TYR A 4 4.654 9.303 6.865 1.00 0.00 H new ATOM 73 N LEU A 5 8.072 7.169 1.320 1.00 0.00 N ATOM 74 CA LEU A 5 8.939 5.984 1.271 1.00 0.00 C ATOM 75 C LEU A 5 8.909 5.213 2.594 1.00 0.00 C ATOM 76 O LEU A 5 9.876 5.181 3.329 1.00 0.00 O ATOM 77 CB LEU A 5 10.360 6.383 0.953 1.00 0.00 C ATOM 78 CG LEU A 5 10.374 7.522 -0.069 1.00 0.00 C ATOM 79 CD1 LEU A 5 10.228 8.861 0.657 1.00 0.00 C ATOM 80 CD2 LEU A 5 11.697 7.500 -0.837 1.00 0.00 C ATOM 0 H LEU A 5 8.025 7.642 2.222 1.00 0.00 H new ATOM 0 HA LEU A 5 8.559 5.333 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.870 6.696 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.907 5.526 0.560 1.00 0.00 H new ATOM 0 HG LEU A 5 9.546 7.395 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.238 9.672 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.286 8.877 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.056 8.989 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 5 11.708 8.311 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.525 7.627 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 5 11.802 6.546 -1.354 1.00 0.00 H new ATOM 92 N ASN A 6 7.821 4.550 2.877 1.00 0.00 N ATOM 93 CA ASN A 6 7.743 3.729 4.123 1.00 0.00 C ATOM 94 C ASN A 6 8.786 2.616 3.964 1.00 0.00 C ATOM 95 O ASN A 6 9.595 2.693 3.060 1.00 0.00 O ATOM 96 CB ASN A 6 6.339 3.101 4.262 1.00 0.00 C ATOM 97 CG ASN A 6 5.331 3.748 3.309 1.00 0.00 C ATOM 98 OD1 ASN A 6 4.969 4.898 3.471 1.00 0.00 O ATOM 99 ND2 ASN A 6 4.861 3.046 2.309 1.00 0.00 N ATOM 0 H ASN A 6 6.980 4.540 2.299 1.00 0.00 H new ATOM 0 HA ASN A 6 7.928 4.338 5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.397 2.032 4.059 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.991 3.212 5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.190 3.463 1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.166 2.082 2.175 1.00 0.00 H new ATOM 106 N PRO A 7 8.740 1.586 4.783 1.00 0.00 N ATOM 107 CA PRO A 7 9.676 0.458 4.636 1.00 0.00 C ATOM 108 C PRO A 7 9.191 -0.467 3.503 1.00 0.00 C ATOM 109 O PRO A 7 9.374 -1.667 3.539 1.00 0.00 O ATOM 110 CB PRO A 7 9.625 -0.238 5.998 1.00 0.00 C ATOM 111 CG PRO A 7 8.283 0.170 6.651 1.00 0.00 C ATOM 112 CD PRO A 7 7.800 1.440 5.922 1.00 0.00 C ATOM 0 HA PRO A 7 10.691 0.757 4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.687 -1.320 5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.467 0.065 6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.549 -0.631 6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.414 0.362 7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.771 1.335 5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.830 2.311 6.577 1.00 0.00 H new ATOM 120 N HIS A 8 8.570 0.104 2.497 1.00 0.00 N ATOM 121 CA HIS A 8 8.057 -0.680 1.345 1.00 0.00 C ATOM 122 C HIS A 8 8.453 0.052 0.058 1.00 0.00 C ATOM 123 O HIS A 8 9.320 0.903 0.062 1.00 0.00 O ATOM 124 CB HIS A 8 6.529 -0.755 1.437 1.00 0.00 C ATOM 125 CG HIS A 8 6.118 -1.629 2.593 1.00 0.00 C ATOM 126 ND1 HIS A 8 5.863 -2.984 2.444 1.00 0.00 N ATOM 127 CD2 HIS A 8 5.879 -1.350 3.917 1.00 0.00 C ATOM 128 CE1 HIS A 8 5.482 -3.463 3.640 1.00 0.00 C ATOM 129 NE2 HIS A 8 5.476 -2.509 4.576 1.00 0.00 N ATOM 0 H HIS A 8 8.397 1.107 2.432 1.00 0.00 H new ATOM 0 HA HIS A 8 8.471 -1.688 1.349 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.116 0.246 1.564 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.121 -1.153 0.508 1.00 0.00 H new ATOM 0 HD2 HIS A 8 5.987 -0.379 4.377 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.213 -4.493 3.823 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.229 -2.608 5.561 1.00 0.00 H new ATOM 137 N ASP A 9 7.825 -0.263 -1.038 1.00 0.00 N ATOM 138 CA ASP A 9 8.168 0.426 -2.321 1.00 0.00 C ATOM 139 C ASP A 9 7.565 1.838 -2.332 1.00 0.00 C ATOM 140 O ASP A 9 8.140 2.766 -2.867 1.00 0.00 O ATOM 141 CB ASP A 9 7.609 -0.376 -3.497 1.00 0.00 C ATOM 142 CG ASP A 9 8.521 -0.204 -4.713 1.00 0.00 C ATOM 143 OD1 ASP A 9 9.551 0.434 -4.571 1.00 0.00 O ATOM 144 OD2 ASP A 9 8.173 -0.713 -5.767 1.00 0.00 O ATOM 0 H ASP A 9 7.089 -0.966 -1.106 1.00 0.00 H new ATOM 0 HA ASP A 9 9.252 0.498 -2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.537 -1.430 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.601 -0.037 -3.735 1.00 0.00 H new ATOM 149 N THR A 10 6.410 2.007 -1.743 1.00 0.00 N ATOM 150 CA THR A 10 5.757 3.352 -1.708 1.00 0.00 C ATOM 151 C THR A 10 5.351 3.792 -3.116 1.00 0.00 C ATOM 152 O THR A 10 5.473 3.058 -4.076 1.00 0.00 O ATOM 153 CB THR A 10 6.709 4.398 -1.111 1.00 0.00 C ATOM 154 OG1 THR A 10 7.921 3.774 -0.713 1.00 0.00 O ATOM 155 CG2 THR A 10 6.046 5.043 0.102 1.00 0.00 C ATOM 0 H THR A 10 5.886 1.265 -1.280 1.00 0.00 H new ATOM 0 HA THR A 10 4.867 3.274 -1.084 1.00 0.00 H new ATOM 0 HB THR A 10 6.929 5.159 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.535 3.735 -1.476 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.717 5.787 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.118 5.525 -0.204 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.829 4.278 0.847 1.00 0.00 H new ATOM 163 N GLN A 11 4.866 4.998 -3.229 1.00 0.00 N ATOM 164 CA GLN A 11 4.438 5.533 -4.545 1.00 0.00 C ATOM 165 C GLN A 11 4.143 7.030 -4.407 1.00 0.00 C ATOM 166 O GLN A 11 4.385 7.804 -5.311 1.00 0.00 O ATOM 167 CB GLN A 11 3.183 4.800 -5.016 1.00 0.00 C ATOM 168 CG GLN A 11 3.360 4.384 -6.472 1.00 0.00 C ATOM 169 CD GLN A 11 2.080 3.710 -6.972 1.00 0.00 C ATOM 170 OE1 GLN A 11 1.358 3.106 -6.205 1.00 0.00 O ATOM 171 NE2 GLN A 11 1.768 3.788 -8.237 1.00 0.00 N ATOM 0 H GLN A 11 4.748 5.644 -2.448 1.00 0.00 H new ATOM 0 HA GLN A 11 5.232 5.383 -5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.005 3.923 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.311 5.446 -4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.587 5.256 -7.085 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.204 3.700 -6.566 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.374 4.295 -8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.918 3.342 -8.581 1.00 0.00 H new ATOM 180 N THR A 12 3.638 7.444 -3.271 1.00 0.00 N ATOM 181 CA THR A 12 3.343 8.885 -3.048 1.00 0.00 C ATOM 182 C THR A 12 2.162 9.346 -3.904 1.00 0.00 C ATOM 183 O THR A 12 1.933 8.865 -4.995 1.00 0.00 O ATOM 184 CB THR A 12 4.572 9.718 -3.392 1.00 0.00 C ATOM 185 OG1 THR A 12 4.561 10.044 -4.775 1.00 0.00 O ATOM 186 CG2 THR A 12 5.834 8.927 -3.053 1.00 0.00 C ATOM 0 H THR A 12 3.417 6.835 -2.483 1.00 0.00 H new ATOM 0 HA THR A 12 3.082 9.020 -1.998 1.00 0.00 H new ATOM 0 HB THR A 12 4.559 10.640 -2.811 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.730 9.236 -5.303 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.713 9.522 -3.299 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.841 8.692 -1.989 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.849 8.002 -3.629 1.00 0.00 H new ATOM 194 N CYS A 13 1.416 10.294 -3.398 1.00 0.00 N ATOM 195 CA CYS A 13 0.244 10.830 -4.143 1.00 0.00 C ATOM 196 C CYS A 13 0.278 12.364 -4.103 1.00 0.00 C ATOM 197 O CYS A 13 -0.631 12.984 -3.588 1.00 0.00 O ATOM 198 CB CYS A 13 -1.036 10.346 -3.462 1.00 0.00 C ATOM 199 SG CYS A 13 -2.464 10.771 -4.488 1.00 0.00 S ATOM 0 H CYS A 13 1.574 10.724 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 13 0.274 10.487 -5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.993 9.268 -3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.133 10.805 -2.478 1.00 0.00 H new ATOM 204 N PRO A 14 1.330 12.932 -4.639 1.00 0.00 N ATOM 205 CA PRO A 14 1.514 14.396 -4.668 1.00 0.00 C ATOM 206 C PRO A 14 0.693 15.027 -5.799 1.00 0.00 C ATOM 207 O PRO A 14 0.839 16.193 -6.105 1.00 0.00 O ATOM 208 CB PRO A 14 3.010 14.562 -4.952 1.00 0.00 C ATOM 209 CG PRO A 14 3.475 13.247 -5.624 1.00 0.00 C ATOM 210 CD PRO A 14 2.431 12.172 -5.266 1.00 0.00 C ATOM 0 HA PRO A 14 1.191 14.878 -3.745 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.189 15.416 -5.605 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.563 14.744 -4.030 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.549 13.370 -6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.464 12.959 -5.268 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.091 11.636 -6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.842 11.429 -4.582 1.00 0.00 H new ATOM 218 N SER A 15 -0.153 14.264 -6.439 1.00 0.00 N ATOM 219 CA SER A 15 -0.957 14.829 -7.564 1.00 0.00 C ATOM 220 C SER A 15 -2.372 15.170 -7.090 1.00 0.00 C ATOM 221 O SER A 15 -2.667 15.147 -5.912 1.00 0.00 O ATOM 222 CB SER A 15 -1.035 13.801 -8.694 1.00 0.00 C ATOM 223 OG SER A 15 -0.715 14.432 -9.927 1.00 0.00 O ATOM 0 H SER A 15 -0.322 13.279 -6.234 1.00 0.00 H new ATOM 0 HA SER A 15 -0.476 15.740 -7.921 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.344 12.980 -8.502 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.035 13.371 -8.741 1.00 0.00 H new ATOM 0 HG SER A 15 -0.763 13.775 -10.653 1.00 0.00 H new ATOM 229 N GLY A 16 -3.246 15.491 -8.009 1.00 0.00 N ATOM 230 CA GLY A 16 -4.646 15.840 -7.630 1.00 0.00 C ATOM 231 C GLY A 16 -5.139 14.886 -6.544 1.00 0.00 C ATOM 232 O GLY A 16 -5.798 15.285 -5.604 1.00 0.00 O ATOM 0 H GLY A 16 -3.048 15.526 -9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.690 16.868 -7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.295 15.779 -8.503 1.00 0.00 H new ATOM 236 N GLN A 17 -4.819 13.626 -6.658 1.00 0.00 N ATOM 237 CA GLN A 17 -5.265 12.654 -5.625 1.00 0.00 C ATOM 238 C GLN A 17 -4.508 12.932 -4.328 1.00 0.00 C ATOM 239 O GLN A 17 -3.416 13.467 -4.342 1.00 0.00 O ATOM 240 CB GLN A 17 -4.967 11.230 -6.099 1.00 0.00 C ATOM 241 CG GLN A 17 -5.939 10.851 -7.218 1.00 0.00 C ATOM 242 CD GLN A 17 -7.245 10.339 -6.609 1.00 0.00 C ATOM 243 OE1 GLN A 17 -7.473 9.146 -6.545 1.00 0.00 O ATOM 244 NE2 GLN A 17 -8.118 11.195 -6.155 1.00 0.00 N ATOM 0 H GLN A 17 -4.269 13.230 -7.421 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.337 12.757 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.940 11.162 -6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.062 10.531 -5.268 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.136 11.716 -7.852 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.497 10.084 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.927 12.195 -6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.992 10.864 -5.746 1.00 0.00 H new ATOM 253 N GLU A 18 -5.074 12.587 -3.206 1.00 0.00 N ATOM 254 CA GLU A 18 -4.373 12.848 -1.920 1.00 0.00 C ATOM 255 C GLU A 18 -4.557 11.661 -0.974 1.00 0.00 C ATOM 256 O GLU A 18 -4.309 11.762 0.211 1.00 0.00 O ATOM 257 CB GLU A 18 -4.953 14.109 -1.272 1.00 0.00 C ATOM 258 CG GLU A 18 -6.422 13.872 -0.918 1.00 0.00 C ATOM 259 CD GLU A 18 -7.311 14.705 -1.844 1.00 0.00 C ATOM 260 OE1 GLU A 18 -7.586 15.842 -1.502 1.00 0.00 O ATOM 261 OE2 GLU A 18 -7.703 14.189 -2.878 1.00 0.00 O ATOM 0 H GLU A 18 -5.986 12.138 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.310 12.989 -2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.388 14.362 -0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.864 14.955 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.665 12.814 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.605 14.144 0.121 1.00 0.00 H new ATOM 268 N ILE A 19 -4.983 10.535 -1.478 1.00 0.00 N ATOM 269 CA ILE A 19 -5.168 9.360 -0.594 1.00 0.00 C ATOM 270 C ILE A 19 -3.996 8.413 -0.788 1.00 0.00 C ATOM 271 O ILE A 19 -3.334 8.419 -1.805 1.00 0.00 O ATOM 272 CB ILE A 19 -6.463 8.644 -0.957 1.00 0.00 C ATOM 273 CG1 ILE A 19 -7.563 9.690 -1.263 1.00 0.00 C ATOM 274 CG2 ILE A 19 -6.872 7.726 0.203 1.00 0.00 C ATOM 275 CD1 ILE A 19 -8.644 9.711 -0.172 1.00 0.00 C ATOM 0 H ILE A 19 -5.209 10.382 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.218 9.684 0.445 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.321 8.032 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.112 10.679 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.022 9.465 -2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.798 7.210 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.086 6.993 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.023 8.322 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.398 10.457 -0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.113 8.729 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.189 9.962 0.786 1.00 0.00 H new ATOM 287 N CYS A 20 -3.740 7.600 0.181 1.00 0.00 N ATOM 288 CA CYS A 20 -2.614 6.639 0.066 1.00 0.00 C ATOM 289 C CYS A 20 -3.144 5.235 0.334 1.00 0.00 C ATOM 290 O CYS A 20 -3.608 4.930 1.411 1.00 0.00 O ATOM 291 CB CYS A 20 -1.529 6.988 1.089 1.00 0.00 C ATOM 292 SG CYS A 20 0.088 7.012 0.274 1.00 0.00 S ATOM 0 H CYS A 20 -4.262 7.555 1.056 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.183 6.689 -0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.736 7.960 1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.529 6.258 1.898 1.00 0.00 H new ATOM 297 N TYR A 21 -3.085 4.369 -0.628 1.00 0.00 N ATOM 298 CA TYR A 21 -3.597 2.997 -0.383 1.00 0.00 C ATOM 299 C TYR A 21 -2.412 2.085 -0.096 1.00 0.00 C ATOM 300 O TYR A 21 -1.293 2.371 -0.471 1.00 0.00 O ATOM 301 CB TYR A 21 -4.383 2.502 -1.602 1.00 0.00 C ATOM 302 CG TYR A 21 -3.435 2.032 -2.674 1.00 0.00 C ATOM 303 CD1 TYR A 21 -2.812 2.962 -3.514 1.00 0.00 C ATOM 304 CD2 TYR A 21 -3.182 0.665 -2.830 1.00 0.00 C ATOM 305 CE1 TYR A 21 -1.934 2.525 -4.513 1.00 0.00 C ATOM 306 CE2 TYR A 21 -2.305 0.228 -3.830 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.682 1.157 -4.670 1.00 0.00 C ATOM 308 OH TYR A 21 -0.818 0.724 -5.655 1.00 0.00 O ATOM 0 H TYR A 21 -2.711 4.544 -1.561 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.273 2.995 0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.047 1.688 -1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.012 3.304 -1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.009 4.017 -3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.662 -0.052 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.452 3.242 -5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.109 -0.827 -3.953 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.148 1.417 -5.830 1.00 0.00 H new ATOM 318 N VAL A 22 -2.635 1.002 0.583 1.00 0.00 N ATOM 319 CA VAL A 22 -1.497 0.103 0.902 1.00 0.00 C ATOM 320 C VAL A 22 -1.785 -1.307 0.379 1.00 0.00 C ATOM 321 O VAL A 22 -2.727 -1.956 0.787 1.00 0.00 O ATOM 322 CB VAL A 22 -1.291 0.081 2.418 1.00 0.00 C ATOM 323 CG1 VAL A 22 -1.352 1.516 2.962 1.00 0.00 C ATOM 324 CG2 VAL A 22 -2.389 -0.755 3.071 1.00 0.00 C ATOM 0 H VAL A 22 -3.546 0.701 0.929 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.589 0.468 0.421 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.318 -0.356 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.205 1.502 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.569 2.115 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.325 1.951 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.241 -0.770 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.362 -0.319 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.349 -1.774 2.685 1.00 0.00 H new ATOM 334 N LYS A 23 -0.975 -1.779 -0.532 1.00 0.00 N ATOM 335 CA LYS A 23 -1.185 -3.139 -1.102 1.00 0.00 C ATOM 336 C LYS A 23 -0.192 -4.107 -0.458 1.00 0.00 C ATOM 337 O LYS A 23 1.001 -3.877 -0.467 1.00 0.00 O ATOM 338 CB LYS A 23 -0.946 -3.086 -2.610 1.00 0.00 C ATOM 339 CG LYS A 23 -1.468 -4.365 -3.263 1.00 0.00 C ATOM 340 CD LYS A 23 -1.013 -4.415 -4.723 1.00 0.00 C ATOM 341 CE LYS A 23 -1.614 -3.232 -5.484 1.00 0.00 C ATOM 342 NZ LYS A 23 -0.916 -3.078 -6.792 1.00 0.00 N ATOM 0 H LYS A 23 -0.171 -1.275 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.202 -3.477 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.449 -2.218 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.118 -2.971 -2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.097 -5.238 -2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.556 -4.396 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.075 -4.382 -4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.326 -5.353 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.680 -3.393 -5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.514 -2.319 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.324 -2.274 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.096 -2.906 -6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.033 -3.946 -7.352 1.00 0.00 H new ATOM 356 N SER A 24 -0.667 -5.179 0.112 1.00 0.00 N ATOM 357 CA SER A 24 0.266 -6.137 0.765 1.00 0.00 C ATOM 358 C SER A 24 -0.157 -7.584 0.492 1.00 0.00 C ATOM 359 O SER A 24 -1.152 -8.058 1.009 1.00 0.00 O ATOM 360 CB SER A 24 0.264 -5.890 2.274 1.00 0.00 C ATOM 361 OG SER A 24 -1.045 -6.108 2.783 1.00 0.00 O ATOM 0 H SER A 24 -1.654 -5.432 0.154 1.00 0.00 H new ATOM 0 HA SER A 24 1.265 -5.983 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.973 -6.557 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.585 -4.870 2.488 1.00 0.00 H new ATOM 0 HG SER A 24 -1.696 -5.635 2.224 1.00 0.00 H new ATOM 367 N TRP A 25 0.596 -8.291 -0.305 1.00 0.00 N ATOM 368 CA TRP A 25 0.244 -9.717 -0.590 1.00 0.00 C ATOM 369 C TRP A 25 1.488 -10.597 -0.435 1.00 0.00 C ATOM 370 O TRP A 25 2.546 -10.136 -0.060 1.00 0.00 O ATOM 371 CB TRP A 25 -0.272 -9.839 -2.016 1.00 0.00 C ATOM 372 CG TRP A 25 0.779 -9.361 -2.946 1.00 0.00 C ATOM 373 CD1 TRP A 25 1.592 -10.132 -3.699 1.00 0.00 C ATOM 374 CD2 TRP A 25 1.145 -8.002 -3.209 1.00 0.00 C ATOM 375 NE1 TRP A 25 2.418 -9.308 -4.445 1.00 0.00 N ATOM 376 CE2 TRP A 25 2.180 -7.977 -4.169 1.00 0.00 C ATOM 377 CE3 TRP A 25 0.663 -6.797 -2.708 1.00 0.00 C ATOM 378 CZ2 TRP A 25 2.719 -6.770 -4.618 1.00 0.00 C ATOM 379 CZ3 TRP A 25 1.194 -5.593 -3.139 1.00 0.00 C ATOM 380 CH2 TRP A 25 2.224 -5.566 -4.097 1.00 0.00 C ATOM 0 H TRP A 25 1.436 -7.948 -0.771 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.525 -10.041 0.111 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -0.529 -10.875 -2.237 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.182 -9.251 -2.140 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.597 -11.212 -3.717 1.00 0.00 H new ATOM 0 HE1 TRP A 25 3.113 -9.642 -5.113 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.132 -6.801 -1.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 3.507 -6.764 -5.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 0.814 -4.666 -2.736 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.631 -4.623 -4.429 1.00 0.00 H new ATOM 391 N CYS A 26 1.371 -11.864 -0.723 1.00 0.00 N ATOM 392 CA CYS A 26 2.548 -12.769 -0.591 1.00 0.00 C ATOM 393 C CYS A 26 2.537 -13.791 -1.728 1.00 0.00 C ATOM 394 O CYS A 26 1.697 -13.755 -2.604 1.00 0.00 O ATOM 395 CB CYS A 26 2.475 -13.509 0.747 1.00 0.00 C ATOM 396 SG CYS A 26 4.077 -13.424 1.583 1.00 0.00 S ATOM 0 H CYS A 26 0.512 -12.312 -1.044 1.00 0.00 H new ATOM 0 HA CYS A 26 3.463 -12.179 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.702 -13.067 1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.195 -14.550 0.583 1.00 0.00 H new ATOM 401 N ASN A 27 3.463 -14.708 -1.711 1.00 0.00 N ATOM 402 CA ASN A 27 3.509 -15.744 -2.779 1.00 0.00 C ATOM 403 C ASN A 27 3.283 -17.117 -2.144 1.00 0.00 C ATOM 404 O ASN A 27 3.204 -17.245 -0.939 1.00 0.00 O ATOM 405 CB ASN A 27 4.878 -15.716 -3.462 1.00 0.00 C ATOM 406 CG ASN A 27 4.691 -15.704 -4.980 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.527 -16.741 -5.591 1.00 0.00 O ATOM 408 ND2 ASN A 27 4.709 -14.567 -5.619 1.00 0.00 N ATOM 0 H ASN A 27 4.192 -14.785 -1.002 1.00 0.00 H new ATOM 0 HA ASN A 27 2.735 -15.546 -3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.436 -14.834 -3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.463 -16.586 -3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.585 -14.549 -6.631 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.847 -13.696 -5.106 1.00 0.00 H new ATOM 415 N ALA A 28 3.175 -18.145 -2.939 1.00 0.00 N ATOM 416 CA ALA A 28 2.950 -19.499 -2.362 1.00 0.00 C ATOM 417 C ALA A 28 4.221 -19.989 -1.678 1.00 0.00 C ATOM 418 O ALA A 28 4.244 -21.031 -1.053 1.00 0.00 O ATOM 419 CB ALA A 28 2.556 -20.474 -3.473 1.00 0.00 C ATOM 0 H ALA A 28 3.232 -18.107 -3.957 1.00 0.00 H new ATOM 0 HA ALA A 28 2.147 -19.444 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.392 -21.464 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.640 -20.129 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.355 -20.525 -4.213 1.00 0.00 H new ATOM 425 N TRP A 29 5.281 -19.253 -1.808 1.00 0.00 N ATOM 426 CA TRP A 29 6.561 -19.675 -1.190 1.00 0.00 C ATOM 427 C TRP A 29 7.269 -18.474 -0.548 1.00 0.00 C ATOM 428 O TRP A 29 8.456 -18.513 -0.294 1.00 0.00 O ATOM 429 CB TRP A 29 7.451 -20.260 -2.272 1.00 0.00 C ATOM 430 CG TRP A 29 6.779 -21.429 -2.907 1.00 0.00 C ATOM 431 CD1 TRP A 29 5.614 -21.412 -3.601 1.00 0.00 C ATOM 432 CD2 TRP A 29 7.235 -22.793 -2.909 1.00 0.00 C ATOM 433 NE1 TRP A 29 5.336 -22.702 -4.026 1.00 0.00 N ATOM 434 CE2 TRP A 29 6.315 -23.591 -3.621 1.00 0.00 C ATOM 435 CE3 TRP A 29 8.361 -23.394 -2.356 1.00 0.00 C ATOM 436 CZ2 TRP A 29 6.515 -24.963 -3.777 1.00 0.00 C ATOM 437 CZ3 TRP A 29 8.578 -24.774 -2.505 1.00 0.00 C ATOM 438 CH2 TRP A 29 7.654 -25.559 -3.217 1.00 0.00 C ATOM 0 H TRP A 29 5.317 -18.371 -2.319 1.00 0.00 H new ATOM 0 HA TRP A 29 6.361 -20.416 -0.417 1.00 0.00 H new ATOM 0 HB2 TRP A 29 7.669 -19.502 -3.025 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.405 -20.567 -1.843 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.005 -20.540 -3.791 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.513 -22.963 -4.569 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.074 -22.795 -1.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.800 -25.560 -4.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.455 -25.232 -2.072 1.00 0.00 H new ATOM 0 HH2 TRP A 29 7.821 -26.620 -3.332 1.00 0.00 H new ATOM 449 N CYS A 30 6.559 -17.408 -0.280 1.00 0.00 N ATOM 450 CA CYS A 30 7.211 -16.217 0.347 1.00 0.00 C ATOM 451 C CYS A 30 7.563 -16.483 1.810 1.00 0.00 C ATOM 452 O CYS A 30 7.910 -15.566 2.523 1.00 0.00 O ATOM 453 CB CYS A 30 6.285 -15.005 0.286 1.00 0.00 C ATOM 454 SG CYS A 30 4.847 -15.276 1.347 1.00 0.00 S ATOM 0 H CYS A 30 5.561 -17.310 -0.467 1.00 0.00 H new ATOM 0 HA CYS A 30 8.125 -16.019 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.820 -14.111 0.606 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.963 -14.834 -0.741 1.00 0.00 H new ATOM 459 N SER A 31 7.467 -17.706 2.270 1.00 0.00 N ATOM 460 CA SER A 31 7.795 -17.996 3.697 1.00 0.00 C ATOM 461 C SER A 31 9.023 -17.177 4.099 1.00 0.00 C ATOM 462 O SER A 31 10.152 -17.557 3.861 1.00 0.00 O ATOM 463 CB SER A 31 8.083 -19.491 3.855 1.00 0.00 C ATOM 464 OG SER A 31 9.458 -19.743 3.599 1.00 0.00 O ATOM 0 H SER A 31 7.176 -18.514 1.719 1.00 0.00 H new ATOM 0 HA SER A 31 6.956 -17.727 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.825 -19.816 4.863 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.464 -20.065 3.166 1.00 0.00 H new ATOM 0 HG SER A 31 9.836 -19.002 3.081 1.00 0.00 H new ATOM 470 N SER A 32 8.797 -16.030 4.676 1.00 0.00 N ATOM 471 CA SER A 32 9.928 -15.149 5.061 1.00 0.00 C ATOM 472 C SER A 32 10.935 -15.109 3.926 1.00 0.00 C ATOM 473 O SER A 32 12.002 -15.687 3.989 1.00 0.00 O ATOM 474 CB SER A 32 10.605 -15.671 6.312 1.00 0.00 C ATOM 475 OG SER A 32 9.659 -16.369 7.110 1.00 0.00 O ATOM 0 H SER A 32 7.871 -15.665 4.898 1.00 0.00 H new ATOM 0 HA SER A 32 9.546 -14.148 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.428 -16.333 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.033 -14.844 6.878 1.00 0.00 H new ATOM 0 HG SER A 32 10.099 -16.707 7.918 1.00 0.00 H new ATOM 481 N ARG A 33 10.590 -14.423 2.890 1.00 0.00 N ATOM 482 CA ARG A 33 11.503 -14.315 1.717 1.00 0.00 C ATOM 483 C ARG A 33 11.591 -12.854 1.267 1.00 0.00 C ATOM 484 O ARG A 33 12.380 -12.086 1.780 1.00 0.00 O ATOM 485 CB ARG A 33 10.965 -15.176 0.572 1.00 0.00 C ATOM 486 CG ARG A 33 11.196 -16.653 0.892 1.00 0.00 C ATOM 487 CD ARG A 33 12.682 -16.984 0.733 1.00 0.00 C ATOM 488 NE ARG A 33 13.088 -17.962 1.782 1.00 0.00 N ATOM 489 CZ ARG A 33 14.208 -18.621 1.662 1.00 0.00 C ATOM 490 NH1 ARG A 33 14.535 -19.148 0.514 1.00 0.00 N ATOM 491 NH2 ARG A 33 15.000 -18.752 2.691 1.00 0.00 N ATOM 0 H ARG A 33 9.706 -13.923 2.795 1.00 0.00 H new ATOM 0 HA ARG A 33 12.497 -14.665 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.901 -14.986 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.464 -14.913 -0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.871 -16.871 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.600 -17.278 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.869 -17.398 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.279 -16.076 0.817 1.00 0.00 H new ATOM 0 HE ARG A 33 12.490 -18.116 2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.915 -19.045 -0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.410 -19.663 0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.743 -18.340 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.876 -19.267 2.598 1.00 0.00 H new ATOM 505 N GLY A 34 10.790 -12.462 0.314 1.00 0.00 N ATOM 506 CA GLY A 34 10.835 -11.050 -0.161 1.00 0.00 C ATOM 507 C GLY A 34 9.417 -10.571 -0.471 1.00 0.00 C ATOM 508 O GLY A 34 9.067 -10.328 -1.609 1.00 0.00 O ATOM 0 H GLY A 34 10.108 -13.057 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.287 -10.413 0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.459 -10.974 -1.052 1.00 0.00 H new ATOM 512 N LYS A 35 8.596 -10.436 0.534 1.00 0.00 N ATOM 513 CA LYS A 35 7.199 -9.976 0.300 1.00 0.00 C ATOM 514 C LYS A 35 7.205 -8.766 -0.637 1.00 0.00 C ATOM 515 O LYS A 35 8.087 -7.932 -0.587 1.00 0.00 O ATOM 516 CB LYS A 35 6.561 -9.580 1.634 1.00 0.00 C ATOM 517 CG LYS A 35 6.780 -10.697 2.658 1.00 0.00 C ATOM 518 CD LYS A 35 7.443 -10.119 3.910 1.00 0.00 C ATOM 519 CE LYS A 35 6.700 -8.857 4.347 1.00 0.00 C ATOM 520 NZ LYS A 35 6.903 -8.640 5.807 1.00 0.00 N ATOM 0 H LYS A 35 8.833 -10.625 1.508 1.00 0.00 H new ATOM 0 HA LYS A 35 6.626 -10.784 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.998 -8.650 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.494 -9.400 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.827 -11.158 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.407 -11.479 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.432 -10.856 4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.488 -9.886 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.064 -7.996 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.637 -8.954 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.397 -7.781 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.535 -9.458 6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.918 -8.529 6.004 1.00 0.00 H new ATOM 534 N VAL A 36 6.223 -8.665 -1.489 1.00 0.00 N ATOM 535 CA VAL A 36 6.160 -7.509 -2.431 1.00 0.00 C ATOM 536 C VAL A 36 5.093 -6.533 -1.934 1.00 0.00 C ATOM 537 O VAL A 36 4.015 -6.449 -2.478 1.00 0.00 O ATOM 538 CB VAL A 36 5.787 -7.995 -3.838 1.00 0.00 C ATOM 539 CG1 VAL A 36 6.663 -7.286 -4.871 1.00 0.00 C ATOM 540 CG2 VAL A 36 6.000 -9.509 -3.948 1.00 0.00 C ATOM 0 H VAL A 36 5.458 -9.335 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 36 7.133 -7.019 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 36 4.737 -7.767 -4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.398 -7.631 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.505 -6.210 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.711 -7.511 -4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.732 -9.842 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.047 -9.744 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.373 -10.019 -3.217 1.00 0.00 H new ATOM 550 N LEU A 37 5.368 -5.823 -0.882 1.00 0.00 N ATOM 551 CA LEU A 37 4.365 -4.888 -0.329 1.00 0.00 C ATOM 552 C LEU A 37 4.752 -3.437 -0.632 1.00 0.00 C ATOM 553 O LEU A 37 5.849 -3.004 -0.351 1.00 0.00 O ATOM 554 CB LEU A 37 4.326 -5.122 1.178 1.00 0.00 C ATOM 555 CG LEU A 37 3.527 -6.396 1.517 1.00 0.00 C ATOM 556 CD1 LEU A 37 3.396 -7.329 0.302 1.00 0.00 C ATOM 557 CD2 LEU A 37 4.236 -7.158 2.635 1.00 0.00 C ATOM 0 H LEU A 37 6.254 -5.853 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 37 3.387 -5.062 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.342 -5.212 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.874 -4.262 1.672 1.00 0.00 H new ATOM 0 HG LEU A 37 2.529 -6.085 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.826 -8.215 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.880 -6.807 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.388 -7.628 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.672 -8.059 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.239 -7.434 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.304 -6.525 3.520 1.00 0.00 H new ATOM 569 N GLU A 38 3.853 -2.685 -1.212 1.00 0.00 N ATOM 570 CA GLU A 38 4.155 -1.258 -1.530 1.00 0.00 C ATOM 571 C GLU A 38 2.884 -0.416 -1.390 1.00 0.00 C ATOM 572 O GLU A 38 1.800 -0.850 -1.728 1.00 0.00 O ATOM 573 CB GLU A 38 4.684 -1.151 -2.961 1.00 0.00 C ATOM 574 CG GLU A 38 3.749 -1.906 -3.910 1.00 0.00 C ATOM 575 CD GLU A 38 4.577 -2.771 -4.862 1.00 0.00 C ATOM 576 OE1 GLU A 38 5.098 -3.779 -4.413 1.00 0.00 O ATOM 577 OE2 GLU A 38 4.675 -2.412 -6.024 1.00 0.00 O ATOM 0 H GLU A 38 2.920 -2.999 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 38 4.910 -0.889 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.752 -0.104 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.691 -1.565 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.061 -2.530 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.142 -1.200 -4.478 1.00 0.00 H new ATOM 584 N PHE A 39 3.011 0.793 -0.916 1.00 0.00 N ATOM 585 CA PHE A 39 1.823 1.671 -0.776 1.00 0.00 C ATOM 586 C PHE A 39 1.956 2.819 -1.779 1.00 0.00 C ATOM 587 O PHE A 39 3.051 3.214 -2.126 1.00 0.00 O ATOM 588 CB PHE A 39 1.759 2.225 0.649 1.00 0.00 C ATOM 589 CG PHE A 39 2.069 1.119 1.630 1.00 0.00 C ATOM 590 CD1 PHE A 39 1.758 -0.209 1.310 1.00 0.00 C ATOM 591 CD2 PHE A 39 2.671 1.420 2.860 1.00 0.00 C ATOM 592 CE1 PHE A 39 2.048 -1.236 2.218 1.00 0.00 C ATOM 593 CE2 PHE A 39 2.961 0.393 3.768 1.00 0.00 C ATOM 594 CZ PHE A 39 2.650 -0.935 3.447 1.00 0.00 C ATOM 0 H PHE A 39 3.893 1.210 -0.619 1.00 0.00 H new ATOM 0 HA PHE A 39 0.910 1.109 -0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.472 3.041 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.769 2.636 0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.294 -0.441 0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.911 2.443 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.808 -2.259 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.424 0.625 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.874 -1.726 4.147 1.00 0.00 H new ATOM 604 N GLY A 40 0.870 3.352 -2.269 1.00 0.00 N ATOM 605 CA GLY A 40 1.001 4.454 -3.262 1.00 0.00 C ATOM 606 C GLY A 40 -0.146 5.459 -3.140 1.00 0.00 C ATOM 607 O GLY A 40 -0.655 5.724 -2.066 1.00 0.00 O ATOM 0 H GLY A 40 -0.083 3.079 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.952 4.966 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.016 4.038 -4.269 1.00 0.00 H new ATOM 611 N CYS A 41 -0.536 6.035 -4.247 1.00 0.00 N ATOM 612 CA CYS A 41 -1.615 7.049 -4.236 1.00 0.00 C ATOM 613 C CYS A 41 -2.951 6.384 -4.516 1.00 0.00 C ATOM 614 O CYS A 41 -3.033 5.291 -5.041 1.00 0.00 O ATOM 615 CB CYS A 41 -1.321 8.089 -5.323 1.00 0.00 C ATOM 616 SG CYS A 41 -2.776 9.130 -5.624 1.00 0.00 S ATOM 0 H CYS A 41 -0.143 5.839 -5.168 1.00 0.00 H new ATOM 0 HA CYS A 41 -1.659 7.531 -3.259 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.479 8.711 -5.020 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.030 7.586 -6.245 1.00 0.00 H new ATOM 621 N ALA A 42 -3.993 7.055 -4.159 1.00 0.00 N ATOM 622 CA ALA A 42 -5.357 6.507 -4.375 1.00 0.00 C ATOM 623 C ALA A 42 -6.400 7.602 -4.146 1.00 0.00 C ATOM 624 O ALA A 42 -6.085 8.727 -3.797 1.00 0.00 O ATOM 625 CB ALA A 42 -5.605 5.358 -3.397 1.00 0.00 C ATOM 0 H ALA A 42 -3.965 7.975 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.438 6.142 -5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.606 4.955 -3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.867 4.573 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.519 5.726 -2.374 1.00 0.00 H new ATOM 631 N ALA A 43 -7.642 7.268 -4.346 1.00 0.00 N ATOM 632 CA ALA A 43 -8.739 8.251 -4.157 1.00 0.00 C ATOM 633 C ALA A 43 -9.578 7.859 -2.935 1.00 0.00 C ATOM 634 O ALA A 43 -9.954 8.692 -2.135 1.00 0.00 O ATOM 635 CB ALA A 43 -9.628 8.254 -5.401 1.00 0.00 C ATOM 0 H ALA A 43 -7.947 6.339 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.316 9.244 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.436 8.974 -5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.034 8.531 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.049 7.260 -5.550 1.00 0.00 H new ATOM 641 N THR A 44 -9.877 6.596 -2.786 1.00 0.00 N ATOM 642 CA THR A 44 -10.691 6.160 -1.617 1.00 0.00 C ATOM 643 C THR A 44 -10.307 4.728 -1.232 1.00 0.00 C ATOM 644 O THR A 44 -10.221 3.853 -2.069 1.00 0.00 O ATOM 645 CB THR A 44 -12.176 6.211 -1.980 1.00 0.00 C ATOM 646 OG1 THR A 44 -12.932 5.562 -0.967 1.00 0.00 O ATOM 647 CG2 THR A 44 -12.402 5.506 -3.319 1.00 0.00 C ATOM 0 H THR A 44 -9.593 5.850 -3.422 1.00 0.00 H new ATOM 0 HA THR A 44 -10.501 6.825 -0.775 1.00 0.00 H new ATOM 0 HB THR A 44 -12.494 7.250 -2.062 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.884 5.595 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.461 5.543 -3.576 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.822 6.005 -4.095 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.084 4.466 -3.241 1.00 0.00 H new ATOM 655 N CYS A 45 -10.067 4.499 0.033 1.00 0.00 N ATOM 656 CA CYS A 45 -9.680 3.151 0.517 1.00 0.00 C ATOM 657 C CYS A 45 -10.382 2.055 -0.302 1.00 0.00 C ATOM 658 O CYS A 45 -11.580 1.888 -0.189 1.00 0.00 O ATOM 659 CB CYS A 45 -10.098 3.028 1.981 1.00 0.00 C ATOM 660 SG CYS A 45 -9.575 1.423 2.630 1.00 0.00 S ATOM 0 H CYS A 45 -10.126 5.209 0.763 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.603 3.026 0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -9.650 3.831 2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.179 3.133 2.071 1.00 0.00 H new ATOM 665 N PRO A 46 -9.627 1.331 -1.103 1.00 0.00 N ATOM 666 CA PRO A 46 -10.184 0.249 -1.933 1.00 0.00 C ATOM 667 C PRO A 46 -10.369 -1.022 -1.098 1.00 0.00 C ATOM 668 O PRO A 46 -10.072 -1.049 0.079 1.00 0.00 O ATOM 669 CB PRO A 46 -9.124 0.047 -3.020 1.00 0.00 C ATOM 670 CG PRO A 46 -7.797 0.607 -2.453 1.00 0.00 C ATOM 671 CD PRO A 46 -8.167 1.514 -1.264 1.00 0.00 C ATOM 0 HA PRO A 46 -11.165 0.484 -2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.023 -1.009 -3.271 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.404 0.567 -3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.142 -0.203 -2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.258 1.170 -3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.628 1.226 -0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.917 2.556 -1.466 1.00 0.00 H new ATOM 679 N SER A 47 -10.863 -2.072 -1.696 1.00 0.00 N ATOM 680 CA SER A 47 -11.072 -3.335 -0.931 1.00 0.00 C ATOM 681 C SER A 47 -10.015 -4.365 -1.333 1.00 0.00 C ATOM 682 O SER A 47 -8.921 -4.023 -1.736 1.00 0.00 O ATOM 683 CB SER A 47 -12.464 -3.889 -1.235 1.00 0.00 C ATOM 684 OG SER A 47 -12.503 -4.348 -2.580 1.00 0.00 O ATOM 0 H SER A 47 -11.131 -2.110 -2.680 1.00 0.00 H new ATOM 0 HA SER A 47 -10.985 -3.128 0.136 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.700 -4.706 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.217 -3.117 -1.080 1.00 0.00 H new ATOM 0 HG SER A 47 -13.394 -4.706 -2.778 1.00 0.00 H new ATOM 690 N VAL A 48 -10.334 -5.628 -1.225 1.00 0.00 N ATOM 691 CA VAL A 48 -9.350 -6.683 -1.598 1.00 0.00 C ATOM 692 C VAL A 48 -9.766 -7.328 -2.922 1.00 0.00 C ATOM 693 O VAL A 48 -10.390 -8.371 -2.946 1.00 0.00 O ATOM 694 CB VAL A 48 -9.305 -7.738 -0.502 1.00 0.00 C ATOM 695 CG1 VAL A 48 -8.586 -8.990 -1.012 1.00 0.00 C ATOM 696 CG2 VAL A 48 -8.560 -7.182 0.713 1.00 0.00 C ATOM 0 H VAL A 48 -11.235 -5.973 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.362 -6.238 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.324 -8.001 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.558 -9.741 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.120 -9.390 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.568 -8.732 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.528 -7.938 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.543 -6.915 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.077 -6.297 1.083 1.00 0.00 H new ATOM 706 N ASN A 49 -9.430 -6.714 -4.022 1.00 0.00 N ATOM 707 CA ASN A 49 -9.808 -7.285 -5.342 1.00 0.00 C ATOM 708 C ASN A 49 -9.419 -8.767 -5.397 1.00 0.00 C ATOM 709 O ASN A 49 -10.134 -9.621 -4.912 1.00 0.00 O ATOM 710 CB ASN A 49 -9.089 -6.518 -6.454 1.00 0.00 C ATOM 711 CG ASN A 49 -9.312 -7.226 -7.791 1.00 0.00 C ATOM 712 OD1 ASN A 49 -10.437 -7.443 -8.197 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.280 -7.599 -8.497 1.00 0.00 N ATOM 0 H ASN A 49 -8.908 -5.839 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.886 -7.195 -5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.463 -5.496 -6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.023 -6.457 -6.237 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.417 -8.073 -9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.336 -7.417 -8.156 1.00 0.00 H new ATOM 720 N THR A 50 -8.291 -9.080 -5.979 1.00 0.00 N ATOM 721 CA THR A 50 -7.862 -10.506 -6.058 1.00 0.00 C ATOM 722 C THR A 50 -7.442 -10.977 -4.663 1.00 0.00 C ATOM 723 O THR A 50 -8.022 -10.584 -3.669 1.00 0.00 O ATOM 724 CB THR A 50 -6.685 -10.621 -7.032 1.00 0.00 C ATOM 725 OG1 THR A 50 -6.486 -11.985 -7.379 1.00 0.00 O ATOM 726 CG2 THR A 50 -5.417 -10.064 -6.380 1.00 0.00 C ATOM 0 H THR A 50 -7.649 -8.410 -6.402 1.00 0.00 H new ATOM 0 HA THR A 50 -8.682 -11.129 -6.415 1.00 0.00 H new ATOM 0 HB THR A 50 -6.905 -10.048 -7.932 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.734 -12.057 -8.003 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.583 -10.148 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.571 -9.016 -6.122 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.194 -10.631 -5.476 1.00 0.00 H new ATOM 734 N GLY A 51 -6.428 -11.795 -4.570 1.00 0.00 N ATOM 735 CA GLY A 51 -5.968 -12.259 -3.232 1.00 0.00 C ATOM 736 C GLY A 51 -4.964 -11.242 -2.688 1.00 0.00 C ATOM 737 O GLY A 51 -3.942 -11.591 -2.129 1.00 0.00 O ATOM 0 H GLY A 51 -5.900 -12.161 -5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.815 -12.357 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.506 -13.243 -3.310 1.00 0.00 H new ATOM 741 N THR A 52 -5.249 -9.981 -2.864 1.00 0.00 N ATOM 742 CA THR A 52 -4.328 -8.918 -2.385 1.00 0.00 C ATOM 743 C THR A 52 -4.919 -8.266 -1.130 1.00 0.00 C ATOM 744 O THR A 52 -6.116 -8.092 -1.018 1.00 0.00 O ATOM 745 CB THR A 52 -4.175 -7.874 -3.498 1.00 0.00 C ATOM 746 OG1 THR A 52 -3.282 -8.373 -4.485 1.00 0.00 O ATOM 747 CG2 THR A 52 -3.620 -6.572 -2.924 1.00 0.00 C ATOM 0 H THR A 52 -6.092 -9.640 -3.326 1.00 0.00 H new ATOM 0 HA THR A 52 -3.353 -9.339 -2.138 1.00 0.00 H new ATOM 0 HB THR A 52 -5.150 -7.678 -3.943 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.182 -7.711 -5.200 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.515 -5.838 -3.723 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.303 -6.189 -2.166 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.645 -6.759 -2.473 1.00 0.00 H new ATOM 755 N GLU A 53 -4.093 -7.906 -0.183 1.00 0.00 N ATOM 756 CA GLU A 53 -4.619 -7.274 1.055 1.00 0.00 C ATOM 757 C GLU A 53 -4.441 -5.758 0.973 1.00 0.00 C ATOM 758 O GLU A 53 -3.377 -5.237 1.236 1.00 0.00 O ATOM 759 CB GLU A 53 -3.855 -7.811 2.268 1.00 0.00 C ATOM 760 CG GLU A 53 -3.588 -9.307 2.082 1.00 0.00 C ATOM 761 CD GLU A 53 -4.182 -10.082 3.260 1.00 0.00 C ATOM 762 OE1 GLU A 53 -5.187 -9.637 3.789 1.00 0.00 O ATOM 763 OE2 GLU A 53 -3.622 -11.107 3.611 1.00 0.00 O ATOM 0 H GLU A 53 -3.080 -8.023 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.678 -7.510 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.913 -7.274 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.432 -7.644 3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.029 -9.652 1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.516 -9.490 2.016 1.00 0.00 H new ATOM 770 N ILE A 54 -5.473 -5.041 0.619 1.00 0.00 N ATOM 771 CA ILE A 54 -5.346 -3.564 0.532 1.00 0.00 C ATOM 772 C ILE A 54 -5.834 -2.952 1.848 1.00 0.00 C ATOM 773 O ILE A 54 -6.512 -3.590 2.629 1.00 0.00 O ATOM 774 CB ILE A 54 -6.175 -3.054 -0.670 1.00 0.00 C ATOM 775 CG1 ILE A 54 -5.241 -2.365 -1.667 1.00 0.00 C ATOM 776 CG2 ILE A 54 -7.255 -2.058 -0.224 1.00 0.00 C ATOM 777 CD1 ILE A 54 -4.578 -3.420 -2.555 1.00 0.00 C ATOM 0 H ILE A 54 -6.393 -5.415 0.388 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.308 -3.271 0.376 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.668 -3.909 -1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.802 -1.659 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.481 -1.792 -1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.819 -1.719 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.930 -2.545 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.783 -1.202 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.912 -2.931 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.004 -4.109 -1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.345 -3.973 -3.097 1.00 0.00 H new ATOM 789 N LYS A 55 -5.493 -1.721 2.096 1.00 0.00 N ATOM 790 CA LYS A 55 -5.934 -1.069 3.357 1.00 0.00 C ATOM 791 C LYS A 55 -6.012 0.443 3.127 1.00 0.00 C ATOM 792 O LYS A 55 -5.604 0.949 2.095 1.00 0.00 O ATOM 793 CB LYS A 55 -4.938 -1.427 4.484 1.00 0.00 C ATOM 794 CG LYS A 55 -4.394 -0.170 5.182 1.00 0.00 C ATOM 795 CD LYS A 55 -3.370 -0.578 6.243 1.00 0.00 C ATOM 796 CE LYS A 55 -3.979 -0.402 7.635 1.00 0.00 C ATOM 797 NZ LYS A 55 -3.349 -1.368 8.579 1.00 0.00 N ATOM 0 H LYS A 55 -4.927 -1.138 1.479 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.921 -1.421 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.432 -2.065 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.109 -2.000 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.932 0.493 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.211 0.385 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.070 -1.615 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.471 0.030 6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.824 0.619 7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.056 -0.565 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.297 -0.943 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.920 -2.236 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.390 -1.599 8.250 1.00 0.00 H new ATOM 811 N CYS A 56 -6.531 1.164 4.083 1.00 0.00 N ATOM 812 CA CYS A 56 -6.646 2.640 3.932 1.00 0.00 C ATOM 813 C CYS A 56 -5.479 3.294 4.663 1.00 0.00 C ATOM 814 O CYS A 56 -5.259 3.066 5.836 1.00 0.00 O ATOM 815 CB CYS A 56 -7.967 3.135 4.542 1.00 0.00 C ATOM 816 SG CYS A 56 -9.191 1.794 4.578 1.00 0.00 S ATOM 0 H CYS A 56 -6.881 0.791 4.965 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.628 2.901 2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.792 3.503 5.553 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.352 3.972 3.960 1.00 0.00 H new ATOM 821 N CYS A 57 -4.712 4.085 3.972 1.00 0.00 N ATOM 822 CA CYS A 57 -3.539 4.732 4.615 1.00 0.00 C ATOM 823 C CYS A 57 -3.396 6.168 4.119 1.00 0.00 C ATOM 824 O CYS A 57 -3.777 6.506 3.015 1.00 0.00 O ATOM 825 CB CYS A 57 -2.286 3.937 4.249 1.00 0.00 C ATOM 826 SG CYS A 57 -0.820 4.739 4.937 1.00 0.00 S ATOM 0 H CYS A 57 -4.847 4.312 2.987 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.674 4.748 5.697 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.367 2.919 4.631 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.196 3.864 3.165 1.00 0.00 H new ATOM 831 N SER A 58 -2.850 7.024 4.927 1.00 0.00 N ATOM 832 CA SER A 58 -2.683 8.430 4.488 1.00 0.00 C ATOM 833 C SER A 58 -1.354 8.985 4.984 1.00 0.00 C ATOM 834 O SER A 58 -0.983 10.097 4.666 1.00 0.00 O ATOM 835 CB SER A 58 -3.832 9.280 5.031 1.00 0.00 C ATOM 836 OG SER A 58 -4.686 9.655 3.959 1.00 0.00 O ATOM 0 H SER A 58 -2.514 6.814 5.867 1.00 0.00 H new ATOM 0 HA SER A 58 -2.692 8.461 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.393 8.719 5.779 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.440 10.168 5.527 1.00 0.00 H new ATOM 0 HG SER A 58 -4.186 9.624 3.117 1.00 0.00 H new ATOM 842 N ALA A 59 -0.630 8.231 5.753 1.00 0.00 N ATOM 843 CA ALA A 59 0.675 8.744 6.248 1.00 0.00 C ATOM 844 C ALA A 59 1.515 7.576 6.759 1.00 0.00 C ATOM 845 O ALA A 59 1.872 6.683 6.017 1.00 0.00 O ATOM 846 CB ALA A 59 0.422 9.755 7.367 1.00 0.00 C ATOM 0 H ALA A 59 -0.879 7.291 6.059 1.00 0.00 H new ATOM 0 HA ALA A 59 1.217 9.238 5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.375 10.136 7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.175 10.582 6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.114 9.269 8.182 1.00 0.00 H new ATOM 852 N ASP A 60 1.808 7.556 8.030 1.00 0.00 N ATOM 853 CA ASP A 60 2.588 6.433 8.594 1.00 0.00 C ATOM 854 C ASP A 60 1.595 5.463 9.211 1.00 0.00 C ATOM 855 O ASP A 60 1.874 4.788 10.182 1.00 0.00 O ATOM 856 CB ASP A 60 3.552 6.950 9.665 1.00 0.00 C ATOM 857 CG ASP A 60 4.298 5.773 10.293 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.708 4.894 9.554 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.446 5.770 11.504 1.00 0.00 O ATOM 0 H ASP A 60 1.537 8.275 8.700 1.00 0.00 H new ATOM 0 HA ASP A 60 3.178 5.943 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.262 7.650 9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.002 7.496 10.431 1.00 0.00 H new ATOM 864 N LYS A 61 0.426 5.401 8.640 1.00 0.00 N ATOM 865 CA LYS A 61 -0.614 4.492 9.165 1.00 0.00 C ATOM 866 C LYS A 61 -0.788 3.316 8.205 1.00 0.00 C ATOM 867 O LYS A 61 -1.632 2.462 8.396 1.00 0.00 O ATOM 868 CB LYS A 61 -1.934 5.249 9.311 1.00 0.00 C ATOM 869 CG LYS A 61 -2.569 5.431 7.939 1.00 0.00 C ATOM 870 CD LYS A 61 -3.756 6.391 8.044 1.00 0.00 C ATOM 871 CE LYS A 61 -5.027 5.594 8.347 1.00 0.00 C ATOM 872 NZ LYS A 61 -6.022 5.817 7.260 1.00 0.00 N ATOM 0 H LYS A 61 0.149 5.948 7.825 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.313 4.117 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.610 4.700 9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.759 6.220 9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.833 5.822 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.901 4.468 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.577 7.124 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.874 6.945 7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.793 4.533 8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.444 5.903 9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.983 5.789 7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.855 6.745 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.924 5.072 6.541 1.00 0.00 H new ATOM 886 N CYS A 62 0.005 3.268 7.172 1.00 0.00 N ATOM 887 CA CYS A 62 -0.110 2.152 6.199 1.00 0.00 C ATOM 888 C CYS A 62 0.035 0.821 6.939 1.00 0.00 C ATOM 889 O CYS A 62 -0.429 -0.207 6.487 1.00 0.00 O ATOM 890 CB CYS A 62 0.994 2.275 5.144 1.00 0.00 C ATOM 891 SG CYS A 62 0.726 3.739 4.101 1.00 0.00 S ATOM 0 H CYS A 62 0.728 3.955 6.961 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.083 2.194 5.709 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.965 2.344 5.633 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.013 1.379 4.524 1.00 0.00 H new ATOM 896 N ASN A 63 0.679 0.833 8.075 1.00 0.00 N ATOM 897 CA ASN A 63 0.859 -0.421 8.846 1.00 0.00 C ATOM 898 C ASN A 63 0.429 -0.193 10.298 1.00 0.00 C ATOM 899 O ASN A 63 1.188 -0.405 11.221 1.00 0.00 O ATOM 900 CB ASN A 63 2.333 -0.822 8.810 1.00 0.00 C ATOM 901 CG ASN A 63 3.195 0.357 9.262 1.00 0.00 C ATOM 902 OD1 ASN A 63 2.998 0.893 10.335 1.00 0.00 O ATOM 903 ND2 ASN A 63 4.150 0.789 8.485 1.00 0.00 N ATOM 0 H ASN A 63 1.089 1.664 8.501 1.00 0.00 H new ATOM 0 HA ASN A 63 0.251 -1.213 8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.503 -1.680 9.460 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.614 -1.125 7.801 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.730 1.575 8.778 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.317 0.340 7.584 1.00 0.00 H new ATOM 910 N THR A 64 -0.785 0.240 10.505 1.00 0.00 N ATOM 911 CA THR A 64 -1.262 0.483 11.895 1.00 0.00 C ATOM 912 C THR A 64 -2.788 0.406 11.940 1.00 0.00 C ATOM 913 O THR A 64 -3.442 0.291 10.923 1.00 0.00 O ATOM 914 CB THR A 64 -0.811 1.864 12.355 1.00 0.00 C ATOM 915 OG1 THR A 64 0.008 2.456 11.355 1.00 0.00 O ATOM 916 CG2 THR A 64 -0.017 1.702 13.646 1.00 0.00 C ATOM 0 H THR A 64 -1.466 0.436 9.772 1.00 0.00 H new ATOM 0 HA THR A 64 -0.843 -0.277 12.555 1.00 0.00 H new ATOM 0 HB THR A 64 -1.675 2.507 12.526 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.546 3.171 11.754 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.316 2.680 13.993 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.649 1.243 14.406 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.850 1.067 13.463 1.00 0.00 H new ATOM 924 N TYR A 65 -3.353 0.481 13.117 1.00 0.00 N ATOM 925 CA TYR A 65 -4.835 0.424 13.257 1.00 0.00 C ATOM 926 C TYR A 65 -5.417 -0.573 12.244 1.00 0.00 C ATOM 927 O TYR A 65 -5.958 -0.180 11.230 1.00 0.00 O ATOM 928 CB TYR A 65 -5.392 1.827 13.012 1.00 0.00 C ATOM 929 CG TYR A 65 -6.859 1.757 12.649 1.00 0.00 C ATOM 930 CD1 TYR A 65 -7.787 1.270 13.578 1.00 0.00 C ATOM 931 CD2 TYR A 65 -7.289 2.180 11.385 1.00 0.00 C ATOM 932 CE1 TYR A 65 -9.146 1.204 13.243 1.00 0.00 C ATOM 933 CE2 TYR A 65 -8.647 2.113 11.048 1.00 0.00 C ATOM 934 CZ TYR A 65 -9.576 1.626 11.977 1.00 0.00 C ATOM 935 OH TYR A 65 -10.914 1.561 11.646 1.00 0.00 O ATOM 0 H TYR A 65 -2.844 0.580 13.995 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.110 0.089 14.257 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.261 2.438 13.905 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.835 2.311 12.210 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.455 0.945 14.553 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.573 2.558 10.670 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.862 0.828 13.959 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.978 2.437 10.072 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.042 1.893 10.733 1.00 0.00 H new ATOM 945 N PRO A 66 -5.285 -1.838 12.555 1.00 0.00 N ATOM 946 CA PRO A 66 -5.786 -2.923 11.694 1.00 0.00 C ATOM 947 C PRO A 66 -7.300 -3.081 11.860 1.00 0.00 C ATOM 948 O PRO A 66 -7.707 -3.951 12.614 1.00 0.00 O ATOM 949 CB PRO A 66 -5.049 -4.161 12.210 1.00 0.00 C ATOM 950 CG PRO A 66 -4.617 -3.838 13.660 1.00 0.00 C ATOM 951 CD PRO A 66 -4.622 -2.303 13.791 1.00 0.00 C ATOM 952 OXT PRO A 66 -8.027 -2.331 11.230 1.00 0.00 O ATOM 0 HA PRO A 66 -5.614 -2.742 10.633 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.696 -5.038 12.184 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.183 -4.385 11.587 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.302 -4.290 14.378 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.626 -4.241 13.868 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.164 -1.981 14.680 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.610 -1.907 13.874 1.00 0.00 H new TER 960 PRO A 66