USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 464 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 54 HIS :FLIP no HE2:sc= -1.24! F(o=-1.8,f=-1.2!) USER MOD Set 1.2: A 56 HIS : no HD1:sc= 0 X(o=-1.2,f=-1.3) USER MOD Set 2.1: A 1 MET N :NH3+ 172:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 48 TYR OH : rot 30:sc= 1.07 USER MOD Set 3.1: A 40 TYR OH : rot 120:sc= 1.09 USER MOD Set 3.2: A 44 THR OG1 : rot 147:sc= 1.21 USER MOD Set 4.1: A 9 GLN : amide:sc= -9.4! C(o=-10!,f=-19!) USER MOD Set 4.2: A 32 CYS SG : rot 145:sc= -0.574 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= -0.0318 (180deg=-0.411) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.16) USER MOD Single : A 27 THR OG1 : rot -90:sc= 1.23 USER MOD Single : A 35 SER OG : rot 79:sc= 0.357 USER MOD Single : A 37 LYS NZ :NH3+ -150:sc= 0.161 (180deg=-0.171) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.215) USER MOD Single : A 55 HIS : no HD1:sc= -0.904 K(o=-0.9,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.446 -1.531 -5.248 1.00 0.00 N ATOM 2 CA MET A 1 4.910 -1.399 -5.013 1.00 0.00 C ATOM 3 C MET A 1 5.374 -2.495 -4.052 1.00 0.00 C ATOM 4 O MET A 1 6.225 -3.315 -4.392 1.00 0.00 O ATOM 5 CB MET A 1 5.208 -0.027 -4.416 1.00 0.00 C ATOM 6 CG MET A 1 6.704 0.097 -4.147 1.00 0.00 C ATOM 7 SD MET A 1 7.055 1.719 -3.427 1.00 0.00 S ATOM 8 CE MET A 1 8.829 1.471 -3.165 1.00 0.00 C ATOM 0 H1 MET A 1 3.106 -0.711 -5.790 1.00 0.00 H new ATOM 0 H2 MET A 1 3.258 -2.402 -5.784 1.00 0.00 H new ATOM 0 H3 MET A 1 2.950 -1.572 -4.335 1.00 0.00 H new ATOM 0 HA MET A 1 5.442 -1.502 -5.959 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.885 0.757 -5.101 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.649 0.108 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.029 -0.692 -3.469 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.263 -0.030 -5.074 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.260 2.367 -2.719 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.983 0.623 -2.497 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.314 1.273 -4.121 1.00 0.00 H new ATOM 20 N VAL A 2 4.805 -2.508 -2.854 1.00 0.00 N ATOM 21 CA VAL A 2 5.183 -3.498 -1.858 1.00 0.00 C ATOM 22 C VAL A 2 4.009 -4.430 -1.557 1.00 0.00 C ATOM 23 O VAL A 2 2.851 -4.012 -1.541 1.00 0.00 O ATOM 24 CB VAL A 2 5.617 -2.789 -0.580 1.00 0.00 C ATOM 25 CG1 VAL A 2 6.077 -3.818 0.448 1.00 0.00 C ATOM 26 CG2 VAL A 2 6.766 -1.838 -0.894 1.00 0.00 C ATOM 0 H VAL A 2 4.087 -1.850 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 2 6.009 -4.094 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 2 4.776 -2.226 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.386 -3.308 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.256 -4.499 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.917 -4.384 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.078 -1.330 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.605 -2.403 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.438 -1.100 -1.626 1.00 0.00 H new ATOM 36 N TYR A 3 4.321 -5.696 -1.322 1.00 0.00 N ATOM 37 CA TYR A 3 3.301 -6.682 -1.008 1.00 0.00 C ATOM 38 C TYR A 3 3.902 -7.754 -0.085 1.00 0.00 C ATOM 39 O TYR A 3 4.884 -8.406 -0.422 1.00 0.00 O ATOM 40 CB TYR A 3 2.726 -7.280 -2.294 1.00 0.00 C ATOM 41 CG TYR A 3 3.813 -7.728 -3.251 1.00 0.00 C ATOM 42 CD1 TYR A 3 4.644 -6.786 -3.875 1.00 0.00 C ATOM 43 CD2 TYR A 3 3.927 -9.082 -3.587 1.00 0.00 C ATOM 44 CE1 TYR A 3 5.577 -7.197 -4.836 1.00 0.00 C ATOM 45 CE2 TYR A 3 4.857 -9.493 -4.552 1.00 0.00 C ATOM 46 CZ TYR A 3 5.682 -8.551 -5.177 1.00 0.00 C ATOM 47 OH TYR A 3 6.599 -8.955 -6.128 1.00 0.00 O ATOM 0 H TYR A 3 5.272 -6.063 -1.343 1.00 0.00 H new ATOM 0 HA TYR A 3 2.472 -6.209 -0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.090 -8.130 -2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.093 -6.541 -2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.564 -5.741 -3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.297 -9.812 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 3 6.216 -6.469 -5.314 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.937 -10.538 -4.813 1.00 0.00 H new ATOM 0 HH TYR A 3 6.543 -9.926 -6.245 1.00 0.00 H new ATOM 57 N ASP A 4 3.280 -7.927 1.077 1.00 0.00 N ATOM 58 CA ASP A 4 3.788 -8.832 2.112 1.00 0.00 C ATOM 59 C ASP A 4 3.764 -10.327 1.717 1.00 0.00 C ATOM 60 O ASP A 4 4.530 -10.761 0.863 1.00 0.00 O ATOM 61 CB ASP A 4 2.989 -8.617 3.397 1.00 0.00 C ATOM 62 CG ASP A 4 3.222 -7.202 3.935 1.00 0.00 C ATOM 63 OD1 ASP A 4 2.808 -6.260 3.279 1.00 0.00 O ATOM 64 OD2 ASP A 4 3.812 -7.086 4.997 1.00 0.00 O ATOM 0 H ASP A 4 2.415 -7.449 1.330 1.00 0.00 H new ATOM 0 HA ASP A 4 4.840 -8.584 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.927 -8.770 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.286 -9.352 4.145 1.00 0.00 H new ATOM 69 N LYS A 5 2.894 -11.106 2.368 1.00 0.00 N ATOM 70 CA LYS A 5 2.821 -12.557 2.155 1.00 0.00 C ATOM 71 C LYS A 5 2.918 -12.950 0.682 1.00 0.00 C ATOM 72 O LYS A 5 3.595 -13.916 0.330 1.00 0.00 O ATOM 73 CB LYS A 5 1.514 -13.092 2.730 1.00 0.00 C ATOM 74 CG LYS A 5 1.473 -12.847 4.236 1.00 0.00 C ATOM 75 CD LYS A 5 0.238 -13.523 4.826 1.00 0.00 C ATOM 76 CE LYS A 5 0.205 -13.310 6.337 1.00 0.00 C ATOM 77 NZ LYS A 5 0.060 -11.857 6.637 1.00 0.00 N ATOM 0 H LYS A 5 2.225 -10.753 3.052 1.00 0.00 H new ATOM 0 HA LYS A 5 3.679 -12.995 2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.667 -12.602 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.425 -14.158 2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.375 -13.240 4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.448 -11.777 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.664 -13.113 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.253 -14.589 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.624 -13.866 6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.120 -13.695 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.264 -11.736 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.978 -11.384 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.635 -11.436 5.988 1.00 0.00 H new ATOM 91 N ILE A 6 2.244 -12.209 -0.166 1.00 0.00 N ATOM 92 CA ILE A 6 2.254 -12.502 -1.581 1.00 0.00 C ATOM 93 C ILE A 6 3.703 -12.494 -2.101 1.00 0.00 C ATOM 94 O ILE A 6 4.128 -13.441 -2.759 1.00 0.00 O ATOM 95 CB ILE A 6 1.362 -11.489 -2.315 1.00 0.00 C ATOM 96 CG1 ILE A 6 1.734 -11.426 -3.787 1.00 0.00 C ATOM 97 CG2 ILE A 6 1.490 -10.108 -1.691 1.00 0.00 C ATOM 98 CD1 ILE A 6 0.986 -12.525 -4.516 1.00 0.00 C ATOM 0 H ILE A 6 1.682 -11.400 0.098 1.00 0.00 H new ATOM 0 HA ILE A 6 1.849 -13.496 -1.769 1.00 0.00 H new ATOM 0 HB ILE A 6 0.327 -11.819 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.476 -10.452 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.809 -11.551 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.850 -9.406 -2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.186 -10.152 -0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.526 -9.775 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.240 -12.497 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.267 -13.493 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.087 -12.376 -4.396 1.00 0.00 H new ATOM 110 N ALA A 7 4.470 -11.451 -1.795 1.00 0.00 N ATOM 111 CA ALA A 7 5.866 -11.411 -2.226 1.00 0.00 C ATOM 112 C ALA A 7 6.680 -12.416 -1.416 1.00 0.00 C ATOM 113 O ALA A 7 7.516 -13.140 -1.953 1.00 0.00 O ATOM 114 CB ALA A 7 6.462 -10.026 -2.000 1.00 0.00 C ATOM 0 H ALA A 7 4.159 -10.639 -1.262 1.00 0.00 H new ATOM 0 HA ALA A 7 5.900 -11.654 -3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.502 -10.019 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.897 -9.289 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.414 -9.778 -0.940 1.00 0.00 H new ATOM 120 N ALA A 8 6.414 -12.429 -0.115 1.00 0.00 N ATOM 121 CA ALA A 8 7.115 -13.294 0.823 1.00 0.00 C ATOM 122 C ALA A 8 7.445 -14.654 0.213 1.00 0.00 C ATOM 123 O ALA A 8 8.604 -14.944 -0.084 1.00 0.00 O ATOM 124 CB ALA A 8 6.263 -13.494 2.072 1.00 0.00 C ATOM 0 H ALA A 8 5.704 -11.838 0.319 1.00 0.00 H new ATOM 0 HA ALA A 8 8.055 -12.806 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.790 -14.142 2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.074 -12.529 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.314 -13.954 1.796 1.00 0.00 H new ATOM 130 N GLN A 9 6.439 -15.488 -0.001 1.00 0.00 N ATOM 131 CA GLN A 9 6.727 -16.806 -0.528 1.00 0.00 C ATOM 132 C GLN A 9 6.816 -16.774 -2.058 1.00 0.00 C ATOM 133 O GLN A 9 7.352 -17.695 -2.675 1.00 0.00 O ATOM 134 CB GLN A 9 5.690 -17.809 -0.040 1.00 0.00 C ATOM 135 CG GLN A 9 4.319 -17.454 -0.565 1.00 0.00 C ATOM 136 CD GLN A 9 4.178 -18.093 -1.925 1.00 0.00 C ATOM 137 OE1 GLN A 9 4.302 -19.302 -2.066 1.00 0.00 O ATOM 138 NE2 GLN A 9 3.948 -17.321 -2.934 1.00 0.00 N ATOM 0 H GLN A 9 5.455 -15.285 0.175 1.00 0.00 H new ATOM 0 HA GLN A 9 7.700 -17.128 -0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.963 -18.812 -0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.675 -17.824 1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.544 -17.815 0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.203 -16.372 -0.635 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.848 -16.316 -2.794 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.866 -17.717 -3.871 1.00 0.00 H new ATOM 147 N GLY A 10 6.279 -15.728 -2.675 1.00 0.00 N ATOM 148 CA GLY A 10 6.375 -15.596 -4.119 1.00 0.00 C ATOM 149 C GLY A 10 7.841 -15.727 -4.539 1.00 0.00 C ATOM 150 O GLY A 10 8.180 -16.471 -5.458 1.00 0.00 O ATOM 0 H GLY A 10 5.781 -14.972 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.774 -16.363 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.978 -14.631 -4.435 1.00 0.00 H new ATOM 154 N GLU A 11 8.706 -15.000 -3.845 1.00 0.00 N ATOM 155 CA GLU A 11 10.124 -15.036 -4.133 1.00 0.00 C ATOM 156 C GLU A 11 10.720 -16.384 -3.720 1.00 0.00 C ATOM 157 O GLU A 11 11.649 -16.879 -4.357 1.00 0.00 O ATOM 158 CB GLU A 11 10.814 -13.905 -3.377 1.00 0.00 C ATOM 159 CG GLU A 11 12.250 -14.298 -3.081 1.00 0.00 C ATOM 160 CD GLU A 11 13.027 -13.088 -2.558 1.00 0.00 C ATOM 161 OE1 GLU A 11 12.624 -12.542 -1.544 1.00 0.00 O ATOM 162 OE2 GLU A 11 14.012 -12.728 -3.182 1.00 0.00 O ATOM 0 H GLU A 11 8.445 -14.379 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 11 10.277 -14.909 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.791 -12.990 -3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.283 -13.697 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.271 -15.101 -2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.724 -14.682 -3.984 1.00 0.00 H new ATOM 169 N VAL A 12 10.177 -16.978 -2.663 1.00 0.00 N ATOM 170 CA VAL A 12 10.675 -18.262 -2.186 1.00 0.00 C ATOM 171 C VAL A 12 10.804 -19.242 -3.353 1.00 0.00 C ATOM 172 O VAL A 12 11.856 -19.841 -3.565 1.00 0.00 O ATOM 173 CB VAL A 12 9.718 -18.828 -1.139 1.00 0.00 C ATOM 174 CG1 VAL A 12 10.097 -20.267 -0.813 1.00 0.00 C ATOM 175 CG2 VAL A 12 9.802 -17.988 0.130 1.00 0.00 C ATOM 0 H VAL A 12 9.400 -16.595 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 12 11.657 -18.117 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 12 8.702 -18.803 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.410 -20.664 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.038 -20.872 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.114 -20.296 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.120 -18.390 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.821 -18.014 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.526 -16.958 -0.096 1.00 0.00 H new ATOM 185 N VAL A 13 9.735 -19.394 -4.114 1.00 0.00 N ATOM 186 CA VAL A 13 9.758 -20.303 -5.247 1.00 0.00 C ATOM 187 C VAL A 13 10.593 -19.735 -6.389 1.00 0.00 C ATOM 188 O VAL A 13 11.335 -20.467 -7.034 1.00 0.00 O ATOM 189 CB VAL A 13 8.348 -20.568 -5.729 1.00 0.00 C ATOM 190 CG1 VAL A 13 8.350 -20.756 -7.242 1.00 0.00 C ATOM 191 CG2 VAL A 13 7.833 -21.831 -5.051 1.00 0.00 C ATOM 0 H VAL A 13 8.850 -18.907 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 13 10.212 -21.238 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 13 7.703 -19.725 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.334 -20.947 -7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.732 -19.854 -7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.986 -21.602 -7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.817 -22.036 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.478 -22.671 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.835 -21.691 -3.970 1.00 0.00 H new ATOM 201 N ARG A 14 10.460 -18.441 -6.653 1.00 0.00 N ATOM 202 CA ARG A 14 11.231 -17.827 -7.724 1.00 0.00 C ATOM 203 C ARG A 14 12.708 -18.195 -7.574 1.00 0.00 C ATOM 204 O ARG A 14 13.373 -18.549 -8.546 1.00 0.00 O ATOM 205 CB ARG A 14 11.052 -16.312 -7.705 1.00 0.00 C ATOM 206 CG ARG A 14 9.733 -15.962 -8.388 1.00 0.00 C ATOM 207 CD ARG A 14 9.690 -14.471 -8.709 1.00 0.00 C ATOM 208 NE ARG A 14 9.375 -13.709 -7.510 1.00 0.00 N ATOM 209 CZ ARG A 14 9.040 -12.423 -7.573 1.00 0.00 C ATOM 210 NH1 ARG A 14 8.987 -11.810 -8.730 1.00 0.00 N ATOM 211 NH2 ARG A 14 8.754 -11.772 -6.474 1.00 0.00 N ATOM 0 H ARG A 14 9.838 -17.808 -6.151 1.00 0.00 H new ATOM 0 HA ARG A 14 10.870 -18.201 -8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.054 -15.945 -6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.883 -15.828 -8.218 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.623 -16.543 -9.304 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.897 -16.227 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.651 -14.150 -9.111 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.942 -14.278 -9.478 1.00 0.00 H new ATOM 0 HE ARG A 14 9.412 -14.171 -6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.203 -12.319 -9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.730 -10.824 -8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.789 -12.251 -5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.497 -10.786 -6.518 1.00 0.00 H new ATOM 225 N LYS A 15 13.214 -18.121 -6.355 1.00 0.00 N ATOM 226 CA LYS A 15 14.599 -18.478 -6.109 1.00 0.00 C ATOM 227 C LYS A 15 14.769 -19.996 -6.227 1.00 0.00 C ATOM 228 O LYS A 15 15.762 -20.481 -6.762 1.00 0.00 O ATOM 229 CB LYS A 15 15.016 -18.026 -4.716 1.00 0.00 C ATOM 230 CG LYS A 15 16.537 -18.013 -4.634 1.00 0.00 C ATOM 231 CD LYS A 15 16.975 -17.732 -3.203 1.00 0.00 C ATOM 232 CE LYS A 15 18.497 -17.645 -3.154 1.00 0.00 C ATOM 233 NZ LYS A 15 18.945 -17.503 -1.741 1.00 0.00 N ATOM 0 H LYS A 15 12.694 -17.821 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 15 15.229 -17.983 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.619 -17.032 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.604 -18.698 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.936 -18.972 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.940 -17.253 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.534 -16.800 -2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.622 -18.522 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.937 -18.539 -3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.842 -16.795 -3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.983 -17.444 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.537 -16.638 -1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.629 -18.328 -1.192 1.00 0.00 H new ATOM 247 N LEU A 16 13.790 -20.742 -5.729 1.00 0.00 N ATOM 248 CA LEU A 16 13.851 -22.198 -5.786 1.00 0.00 C ATOM 249 C LEU A 16 13.970 -22.678 -7.239 1.00 0.00 C ATOM 250 O LEU A 16 14.929 -23.361 -7.601 1.00 0.00 O ATOM 251 CB LEU A 16 12.598 -22.785 -5.145 1.00 0.00 C ATOM 252 CG LEU A 16 12.958 -23.421 -3.805 1.00 0.00 C ATOM 253 CD1 LEU A 16 13.706 -22.412 -2.938 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.679 -23.850 -3.091 1.00 0.00 C ATOM 0 H LEU A 16 12.952 -20.367 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 16 14.732 -22.535 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.852 -22.004 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.155 -23.530 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 16 13.594 -24.289 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.961 -22.871 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.619 -22.102 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.073 -21.541 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.932 -24.305 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.046 -22.978 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.144 -24.573 -3.706 1.00 0.00 H new ATOM 266 N LYS A 17 13.001 -22.315 -8.070 1.00 0.00 N ATOM 267 CA LYS A 17 13.033 -22.720 -9.469 1.00 0.00 C ATOM 268 C LYS A 17 14.322 -22.227 -10.136 1.00 0.00 C ATOM 269 O LYS A 17 14.835 -22.866 -11.053 1.00 0.00 O ATOM 270 CB LYS A 17 11.819 -22.160 -10.211 1.00 0.00 C ATOM 271 CG LYS A 17 11.682 -20.665 -9.936 1.00 0.00 C ATOM 272 CD LYS A 17 11.508 -19.911 -11.250 1.00 0.00 C ATOM 273 CE LYS A 17 12.789 -20.018 -12.072 1.00 0.00 C ATOM 274 NZ LYS A 17 12.709 -19.099 -13.241 1.00 0.00 N ATOM 0 H LYS A 17 12.195 -21.749 -7.805 1.00 0.00 H new ATOM 0 HA LYS A 17 13.005 -23.809 -9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.926 -22.333 -11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.916 -22.681 -9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.827 -20.483 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.565 -20.300 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.669 -20.324 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.276 -18.864 -11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.651 -19.764 -11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.931 -21.044 -12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.582 -19.172 -13.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.895 -19.361 -13.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.593 -18.121 -12.907 1.00 0.00 H new ATOM 288 N ALA A 18 14.842 -21.095 -9.679 1.00 0.00 N ATOM 289 CA ALA A 18 16.078 -20.568 -10.238 1.00 0.00 C ATOM 290 C ALA A 18 17.245 -21.486 -9.867 1.00 0.00 C ATOM 291 O ALA A 18 18.056 -21.858 -10.713 1.00 0.00 O ATOM 292 CB ALA A 18 16.334 -19.165 -9.699 1.00 0.00 C ATOM 0 H ALA A 18 14.433 -20.532 -8.933 1.00 0.00 H new ATOM 0 HA ALA A 18 15.988 -20.522 -11.323 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.261 -18.776 -10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.507 -18.512 -9.977 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.418 -19.202 -8.613 1.00 0.00 H new ATOM 298 N GLU A 19 17.316 -21.848 -8.594 1.00 0.00 N ATOM 299 CA GLU A 19 18.373 -22.728 -8.111 1.00 0.00 C ATOM 300 C GLU A 19 17.988 -24.206 -8.296 1.00 0.00 C ATOM 301 O GLU A 19 18.631 -25.089 -7.734 1.00 0.00 O ATOM 302 CB GLU A 19 18.626 -22.454 -6.631 1.00 0.00 C ATOM 303 CG GLU A 19 18.972 -20.982 -6.431 1.00 0.00 C ATOM 304 CD GLU A 19 19.093 -20.678 -4.937 1.00 0.00 C ATOM 305 OE1 GLU A 19 18.120 -20.882 -4.229 1.00 0.00 O ATOM 306 OE2 GLU A 19 20.158 -20.245 -4.525 1.00 0.00 O ATOM 0 H GLU A 19 16.656 -21.547 -7.877 1.00 0.00 H new ATOM 0 HA GLU A 19 19.276 -22.530 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.742 -22.712 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 19 19.441 -23.081 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.909 -20.747 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.202 -20.354 -6.878 1.00 0.00 H new ATOM 313 N LYS A 20 16.931 -24.458 -9.069 1.00 0.00 N ATOM 314 CA LYS A 20 16.467 -25.816 -9.339 1.00 0.00 C ATOM 315 C LYS A 20 15.745 -26.390 -8.123 1.00 0.00 C ATOM 316 O LYS A 20 16.361 -26.818 -7.148 1.00 0.00 O ATOM 317 CB LYS A 20 17.623 -26.732 -9.738 1.00 0.00 C ATOM 318 CG LYS A 20 18.118 -26.353 -11.129 1.00 0.00 C ATOM 319 CD LYS A 20 19.028 -27.456 -11.659 1.00 0.00 C ATOM 320 CE LYS A 20 19.347 -27.191 -13.126 1.00 0.00 C ATOM 321 NZ LYS A 20 20.153 -28.320 -13.672 1.00 0.00 N ATOM 0 H LYS A 20 16.377 -23.731 -9.522 1.00 0.00 H new ATOM 0 HA LYS A 20 15.769 -25.763 -10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 20 18.435 -26.646 -9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.297 -27.772 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.272 -26.209 -11.802 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.659 -25.407 -11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 20 19.949 -27.494 -11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.543 -28.426 -11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.424 -27.080 -13.695 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.897 -26.256 -13.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.371 -28.139 -14.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 21.039 -28.405 -13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.612 -29.204 -13.590 1.00 0.00 H new ATOM 335 N ALA A 21 14.428 -26.397 -8.205 1.00 0.00 N ATOM 336 CA ALA A 21 13.597 -26.915 -7.136 1.00 0.00 C ATOM 337 C ALA A 21 12.484 -27.764 -7.756 1.00 0.00 C ATOM 338 O ALA A 21 12.404 -27.884 -8.977 1.00 0.00 O ATOM 339 CB ALA A 21 13.004 -25.748 -6.355 1.00 0.00 C ATOM 0 H ALA A 21 13.907 -26.046 -9.009 1.00 0.00 H new ATOM 0 HA ALA A 21 14.184 -27.530 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.378 -26.130 -5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.809 -25.145 -5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.401 -25.133 -7.022 1.00 0.00 H new ATOM 345 N PRO A 22 11.604 -28.364 -6.940 1.00 0.00 N ATOM 346 CA PRO A 22 10.519 -29.190 -7.444 1.00 0.00 C ATOM 347 C PRO A 22 9.356 -28.351 -7.973 1.00 0.00 C ATOM 348 O PRO A 22 9.011 -27.314 -7.406 1.00 0.00 O ATOM 349 CB PRO A 22 10.099 -30.018 -6.239 1.00 0.00 C ATOM 350 CG PRO A 22 10.491 -29.185 -5.026 1.00 0.00 C ATOM 351 CD PRO A 22 11.616 -28.252 -5.483 1.00 0.00 C ATOM 0 HA PRO A 22 10.830 -29.802 -8.291 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.027 -30.216 -6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.601 -30.985 -6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.639 -28.614 -4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.825 -29.824 -4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.438 -27.226 -5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.578 -28.554 -5.068 1.00 0.00 H new ATOM 359 N LYS A 23 8.757 -28.809 -9.060 1.00 0.00 N ATOM 360 CA LYS A 23 7.639 -28.095 -9.657 1.00 0.00 C ATOM 361 C LYS A 23 6.492 -27.991 -8.652 1.00 0.00 C ATOM 362 O LYS A 23 5.759 -27.006 -8.631 1.00 0.00 O ATOM 363 CB LYS A 23 7.159 -28.834 -10.901 1.00 0.00 C ATOM 364 CG LYS A 23 8.296 -28.927 -11.914 1.00 0.00 C ATOM 365 CD LYS A 23 7.799 -29.626 -13.175 1.00 0.00 C ATOM 366 CE LYS A 23 8.919 -29.669 -14.209 1.00 0.00 C ATOM 367 NZ LYS A 23 8.464 -30.432 -15.405 1.00 0.00 N ATOM 0 H LYS A 23 9.023 -29.666 -9.545 1.00 0.00 H new ATOM 0 HA LYS A 23 7.967 -27.093 -9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.816 -29.833 -10.633 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.309 -28.312 -11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.662 -27.930 -12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.134 -29.478 -11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.471 -30.638 -12.937 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.936 -29.098 -13.580 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.201 -28.656 -14.497 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.805 -30.138 -13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.228 -30.461 -16.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.215 -31.402 -15.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.630 -29.966 -15.817 1.00 0.00 H new ATOM 381 N ALA A 24 6.346 -29.014 -7.823 1.00 0.00 N ATOM 382 CA ALA A 24 5.289 -29.031 -6.824 1.00 0.00 C ATOM 383 C ALA A 24 5.332 -27.767 -5.965 1.00 0.00 C ATOM 384 O ALA A 24 4.309 -27.133 -5.728 1.00 0.00 O ATOM 385 CB ALA A 24 5.451 -30.256 -5.930 1.00 0.00 C ATOM 0 H ALA A 24 6.944 -29.840 -7.822 1.00 0.00 H new ATOM 0 HA ALA A 24 4.329 -29.070 -7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.658 -30.268 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.391 -31.160 -6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.420 -30.217 -5.432 1.00 0.00 H new ATOM 391 N LYS A 25 6.519 -27.390 -5.524 1.00 0.00 N ATOM 392 CA LYS A 25 6.656 -26.224 -4.670 1.00 0.00 C ATOM 393 C LYS A 25 6.610 -24.941 -5.493 1.00 0.00 C ATOM 394 O LYS A 25 5.937 -23.984 -5.118 1.00 0.00 O ATOM 395 CB LYS A 25 7.960 -26.316 -3.891 1.00 0.00 C ATOM 396 CG LYS A 25 7.718 -27.085 -2.591 1.00 0.00 C ATOM 397 CD LYS A 25 6.792 -28.274 -2.852 1.00 0.00 C ATOM 398 CE LYS A 25 6.366 -28.889 -1.524 1.00 0.00 C ATOM 399 NZ LYS A 25 5.215 -29.807 -1.749 1.00 0.00 N ATOM 0 H LYS A 25 7.393 -27.869 -5.740 1.00 0.00 H new ATOM 0 HA LYS A 25 5.822 -26.199 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.720 -26.819 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.337 -25.317 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.667 -27.435 -2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.275 -26.425 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.915 -27.949 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.303 -29.019 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.199 -29.434 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.087 -28.105 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.870 -30.161 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.451 -29.293 -2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.520 -30.608 -2.338 1.00 0.00 H new ATOM 413 N VAL A 26 7.310 -24.922 -6.614 1.00 0.00 N ATOM 414 CA VAL A 26 7.307 -23.746 -7.464 1.00 0.00 C ATOM 415 C VAL A 26 5.865 -23.338 -7.789 1.00 0.00 C ATOM 416 O VAL A 26 5.486 -22.182 -7.614 1.00 0.00 O ATOM 417 CB VAL A 26 8.074 -24.041 -8.745 1.00 0.00 C ATOM 418 CG1 VAL A 26 7.757 -22.978 -9.793 1.00 0.00 C ATOM 419 CG2 VAL A 26 9.566 -24.020 -8.438 1.00 0.00 C ATOM 0 H VAL A 26 7.880 -25.697 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 26 7.792 -22.922 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 26 7.785 -25.019 -9.130 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.308 -23.194 -10.708 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.688 -22.983 -10.004 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.048 -21.997 -9.416 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.128 -24.230 -9.348 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.845 -23.037 -8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.794 -24.777 -7.688 1.00 0.00 H new ATOM 429 N THR A 27 5.058 -24.287 -8.242 1.00 0.00 N ATOM 430 CA THR A 27 3.671 -23.983 -8.566 1.00 0.00 C ATOM 431 C THR A 27 2.921 -23.570 -7.304 1.00 0.00 C ATOM 432 O THR A 27 2.165 -22.603 -7.311 1.00 0.00 O ATOM 433 CB THR A 27 2.992 -25.194 -9.192 1.00 0.00 C ATOM 434 OG1 THR A 27 3.163 -26.327 -8.352 1.00 0.00 O ATOM 435 CG2 THR A 27 3.605 -25.466 -10.557 1.00 0.00 C ATOM 0 H THR A 27 5.333 -25.258 -8.392 1.00 0.00 H new ATOM 0 HA THR A 27 3.655 -23.161 -9.282 1.00 0.00 H new ATOM 0 HB THR A 27 1.927 -24.995 -9.307 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.988 -26.795 -8.598 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.121 -26.332 -11.007 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.463 -24.597 -11.199 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.671 -25.664 -10.444 1.00 0.00 H new ATOM 443 N GLU A 28 3.127 -24.315 -6.227 1.00 0.00 N ATOM 444 CA GLU A 28 2.482 -23.997 -4.965 1.00 0.00 C ATOM 445 C GLU A 28 2.605 -22.502 -4.685 1.00 0.00 C ATOM 446 O GLU A 28 1.634 -21.842 -4.326 1.00 0.00 O ATOM 447 CB GLU A 28 3.136 -24.786 -3.838 1.00 0.00 C ATOM 448 CG GLU A 28 2.422 -26.122 -3.669 1.00 0.00 C ATOM 449 CD GLU A 28 3.209 -27.012 -2.708 1.00 0.00 C ATOM 450 OE1 GLU A 28 3.582 -26.528 -1.653 1.00 0.00 O ATOM 451 OE2 GLU A 28 3.426 -28.166 -3.042 1.00 0.00 O ATOM 0 H GLU A 28 3.731 -25.137 -6.203 1.00 0.00 H new ATOM 0 HA GLU A 28 1.427 -24.265 -5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.190 -24.951 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.091 -24.218 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.414 -25.960 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.321 -26.615 -4.636 1.00 0.00 H new ATOM 458 N ALA A 29 3.803 -21.970 -4.853 1.00 0.00 N ATOM 459 CA ALA A 29 4.013 -20.550 -4.628 1.00 0.00 C ATOM 460 C ALA A 29 3.141 -19.729 -5.575 1.00 0.00 C ATOM 461 O ALA A 29 2.464 -18.799 -5.148 1.00 0.00 O ATOM 462 CB ALA A 29 5.475 -20.192 -4.833 1.00 0.00 C ATOM 0 H ALA A 29 4.633 -22.489 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 29 3.734 -20.320 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.616 -19.125 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.090 -20.757 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.770 -20.437 -5.853 1.00 0.00 H new ATOM 468 N VAL A 30 3.161 -20.079 -6.854 1.00 0.00 N ATOM 469 CA VAL A 30 2.348 -19.371 -7.835 1.00 0.00 C ATOM 470 C VAL A 30 0.915 -19.257 -7.310 1.00 0.00 C ATOM 471 O VAL A 30 0.235 -18.252 -7.501 1.00 0.00 O ATOM 472 CB VAL A 30 2.341 -20.139 -9.157 1.00 0.00 C ATOM 473 CG1 VAL A 30 1.696 -19.286 -10.234 1.00 0.00 C ATOM 474 CG2 VAL A 30 3.765 -20.478 -9.577 1.00 0.00 C ATOM 0 H VAL A 30 3.724 -20.840 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 30 2.765 -18.377 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 30 1.777 -21.062 -9.025 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.691 -19.833 -11.177 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.672 -19.049 -9.946 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.262 -18.362 -10.354 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.746 -21.025 -10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.336 -19.558 -9.703 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.234 -21.094 -8.810 1.00 0.00 H new ATOM 484 N GLU A 31 0.465 -20.315 -6.666 1.00 0.00 N ATOM 485 CA GLU A 31 -0.865 -20.351 -6.091 1.00 0.00 C ATOM 486 C GLU A 31 -0.985 -19.362 -4.940 1.00 0.00 C ATOM 487 O GLU A 31 -1.922 -18.578 -4.899 1.00 0.00 O ATOM 488 CB GLU A 31 -1.157 -21.754 -5.614 1.00 0.00 C ATOM 489 CG GLU A 31 -0.979 -22.679 -6.797 1.00 0.00 C ATOM 490 CD GLU A 31 -1.023 -24.137 -6.341 1.00 0.00 C ATOM 491 OE1 GLU A 31 -1.184 -24.360 -5.153 1.00 0.00 O ATOM 492 OE2 GLU A 31 -0.893 -25.005 -7.187 1.00 0.00 O ATOM 0 H GLU A 31 1.006 -21.168 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.592 -20.065 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.483 -22.032 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.172 -21.823 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.764 -22.497 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.028 -22.473 -7.289 1.00 0.00 H new ATOM 499 N CYS A 32 -0.050 -19.403 -3.996 1.00 0.00 N ATOM 500 CA CYS A 32 -0.103 -18.464 -2.892 1.00 0.00 C ATOM 501 C CYS A 32 -0.135 -17.051 -3.462 1.00 0.00 C ATOM 502 O CYS A 32 -0.684 -16.141 -2.858 1.00 0.00 O ATOM 503 CB CYS A 32 1.103 -18.626 -1.968 1.00 0.00 C ATOM 504 SG CYS A 32 1.527 -20.379 -1.827 1.00 0.00 S ATOM 0 H CYS A 32 0.731 -20.058 -3.975 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.999 -18.657 -2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.952 -18.066 -2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.878 -18.215 -0.984 1.00 0.00 H new ATOM 0 HG CYS A 32 2.817 -20.507 -1.732 1.00 0.00 H new ATOM 510 N LEU A 33 0.441 -16.877 -4.643 1.00 0.00 N ATOM 511 CA LEU A 33 0.445 -15.574 -5.272 1.00 0.00 C ATOM 512 C LEU A 33 -0.985 -15.188 -5.653 1.00 0.00 C ATOM 513 O LEU A 33 -1.448 -14.100 -5.327 1.00 0.00 O ATOM 514 CB LEU A 33 1.338 -15.594 -6.509 1.00 0.00 C ATOM 515 CG LEU A 33 2.776 -15.889 -6.091 1.00 0.00 C ATOM 516 CD1 LEU A 33 3.700 -15.784 -7.298 1.00 0.00 C ATOM 517 CD2 LEU A 33 3.215 -14.888 -5.030 1.00 0.00 C ATOM 0 H LEU A 33 0.904 -17.614 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 33 0.839 -14.835 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.989 -16.351 -7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.287 -14.635 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 33 2.828 -16.899 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.724 -15.996 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.392 -16.504 -8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.646 -14.777 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.242 -15.100 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.156 -13.878 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.562 -14.969 -4.161 1.00 0.00 H new ATOM 529 N LEU A 34 -1.688 -16.092 -6.321 1.00 0.00 N ATOM 530 CA LEU A 34 -3.060 -15.814 -6.724 1.00 0.00 C ATOM 531 C LEU A 34 -3.986 -15.773 -5.504 1.00 0.00 C ATOM 532 O LEU A 34 -4.825 -14.885 -5.372 1.00 0.00 O ATOM 533 CB LEU A 34 -3.536 -16.891 -7.695 1.00 0.00 C ATOM 534 CG LEU A 34 -4.993 -16.635 -8.070 1.00 0.00 C ATOM 535 CD1 LEU A 34 -5.208 -16.980 -9.538 1.00 0.00 C ATOM 536 CD2 LEU A 34 -5.904 -17.509 -7.211 1.00 0.00 C ATOM 0 H LEU A 34 -1.338 -17.011 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.089 -14.840 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.914 -16.889 -8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.435 -17.876 -7.239 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.229 -15.584 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.249 -16.797 -9.806 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.560 -16.359 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.970 -18.031 -9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.944 -17.325 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.666 -18.559 -7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.753 -17.268 -6.159 1.00 0.00 H new ATOM 548 N SER A 35 -3.830 -16.739 -4.620 1.00 0.00 N ATOM 549 CA SER A 35 -4.664 -16.812 -3.429 1.00 0.00 C ATOM 550 C SER A 35 -4.430 -15.610 -2.506 1.00 0.00 C ATOM 551 O SER A 35 -5.369 -14.913 -2.122 1.00 0.00 O ATOM 552 CB SER A 35 -4.352 -18.098 -2.675 1.00 0.00 C ATOM 553 OG SER A 35 -4.502 -19.205 -3.552 1.00 0.00 O ATOM 0 H SER A 35 -3.137 -17.483 -4.700 1.00 0.00 H new ATOM 0 HA SER A 35 -5.708 -16.800 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.336 -18.065 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.020 -18.203 -1.820 1.00 0.00 H new ATOM 0 HG SER A 35 -3.712 -19.276 -4.128 1.00 0.00 H new ATOM 559 N LEU A 36 -3.178 -15.368 -2.159 1.00 0.00 N ATOM 560 CA LEU A 36 -2.850 -14.274 -1.254 1.00 0.00 C ATOM 561 C LEU A 36 -3.230 -12.927 -1.867 1.00 0.00 C ATOM 562 O LEU A 36 -3.839 -12.094 -1.208 1.00 0.00 O ATOM 563 CB LEU A 36 -1.355 -14.293 -0.932 1.00 0.00 C ATOM 564 CG LEU A 36 -1.101 -13.738 0.471 1.00 0.00 C ATOM 565 CD1 LEU A 36 -1.547 -12.282 0.552 1.00 0.00 C ATOM 566 CD2 LEU A 36 -1.877 -14.561 1.496 1.00 0.00 C ATOM 0 H LEU A 36 -2.376 -15.907 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.420 -14.408 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.975 -15.312 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.811 -13.700 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.033 -13.796 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.361 -11.900 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.988 -11.689 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.612 -12.215 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.695 -14.164 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.943 -14.508 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.548 -15.599 1.453 1.00 0.00 H new ATOM 578 N LYS A 37 -2.883 -12.712 -3.124 1.00 0.00 N ATOM 579 CA LYS A 37 -3.193 -11.438 -3.759 1.00 0.00 C ATOM 580 C LYS A 37 -4.694 -11.141 -3.672 1.00 0.00 C ATOM 581 O LYS A 37 -5.092 -10.008 -3.391 1.00 0.00 O ATOM 582 CB LYS A 37 -2.738 -11.443 -5.215 1.00 0.00 C ATOM 583 CG LYS A 37 -3.750 -12.170 -6.091 1.00 0.00 C ATOM 584 CD LYS A 37 -3.389 -11.968 -7.556 1.00 0.00 C ATOM 585 CE LYS A 37 -4.542 -12.444 -8.433 1.00 0.00 C ATOM 586 NZ LYS A 37 -4.306 -12.011 -9.838 1.00 0.00 N ATOM 0 H LYS A 37 -2.397 -13.385 -3.717 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.655 -10.652 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.614 -10.419 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.765 -11.927 -5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.758 -13.233 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.754 -11.792 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.182 -10.915 -7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.481 -12.521 -7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.626 -13.530 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.484 -12.035 -8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.219 -11.860 -10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.763 -11.124 -9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.771 -12.746 -10.343 1.00 0.00 H new ATOM 600 N ALA A 38 -5.522 -12.153 -3.908 1.00 0.00 N ATOM 601 CA ALA A 38 -6.963 -11.964 -3.841 1.00 0.00 C ATOM 602 C ALA A 38 -7.351 -11.492 -2.442 1.00 0.00 C ATOM 603 O ALA A 38 -8.219 -10.637 -2.279 1.00 0.00 O ATOM 604 CB ALA A 38 -7.675 -13.273 -4.164 1.00 0.00 C ATOM 0 H ALA A 38 -5.224 -13.099 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.261 -11.211 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.753 -13.123 -4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.402 -13.598 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.379 -14.035 -3.443 1.00 0.00 H new ATOM 610 N GLU A 39 -6.700 -12.057 -1.437 1.00 0.00 N ATOM 611 CA GLU A 39 -6.971 -11.671 -0.061 1.00 0.00 C ATOM 612 C GLU A 39 -6.421 -10.264 0.181 1.00 0.00 C ATOM 613 O GLU A 39 -7.015 -9.465 0.902 1.00 0.00 O ATOM 614 CB GLU A 39 -6.310 -12.662 0.894 1.00 0.00 C ATOM 615 CG GLU A 39 -6.581 -12.258 2.343 1.00 0.00 C ATOM 616 CD GLU A 39 -8.054 -12.487 2.695 1.00 0.00 C ATOM 617 OE1 GLU A 39 -8.886 -11.734 2.214 1.00 0.00 O ATOM 618 OE2 GLU A 39 -8.326 -13.413 3.441 1.00 0.00 O ATOM 0 H GLU A 39 -5.987 -12.778 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.046 -11.677 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.693 -13.666 0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.236 -12.693 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.946 -12.837 3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.325 -11.209 2.489 1.00 0.00 H new ATOM 625 N TYR A 40 -5.271 -9.989 -0.422 1.00 0.00 N ATOM 626 CA TYR A 40 -4.633 -8.688 -0.318 1.00 0.00 C ATOM 627 C TYR A 40 -5.615 -7.591 -0.736 1.00 0.00 C ATOM 628 O TYR A 40 -6.348 -7.065 0.099 1.00 0.00 O ATOM 629 CB TYR A 40 -3.397 -8.674 -1.220 1.00 0.00 C ATOM 630 CG TYR A 40 -2.777 -7.297 -1.252 1.00 0.00 C ATOM 631 CD1 TYR A 40 -2.238 -6.736 -0.089 1.00 0.00 C ATOM 632 CD2 TYR A 40 -2.716 -6.594 -2.462 1.00 0.00 C ATOM 633 CE1 TYR A 40 -1.636 -5.474 -0.138 1.00 0.00 C ATOM 634 CE2 TYR A 40 -2.113 -5.335 -2.513 1.00 0.00 C ATOM 635 CZ TYR A 40 -1.573 -4.774 -1.349 1.00 0.00 C ATOM 636 OH TYR A 40 -0.976 -3.533 -1.395 1.00 0.00 O ATOM 0 H TYR A 40 -4.758 -10.660 -0.994 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.332 -8.501 0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.668 -9.399 -0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.674 -8.978 -2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.287 -7.276 0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.136 -7.027 -3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.220 -5.039 0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.063 -4.796 -3.447 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.221 -3.556 -2.020 1.00 0.00 H new ATOM 646 N LYS A 41 -5.636 -7.272 -2.031 1.00 0.00 N ATOM 647 CA LYS A 41 -6.527 -6.241 -2.554 1.00 0.00 C ATOM 648 C LYS A 41 -6.744 -5.128 -1.523 1.00 0.00 C ATOM 649 O LYS A 41 -7.870 -4.685 -1.302 1.00 0.00 O ATOM 650 CB LYS A 41 -7.865 -6.885 -2.912 1.00 0.00 C ATOM 651 CG LYS A 41 -8.696 -5.937 -3.771 1.00 0.00 C ATOM 652 CD LYS A 41 -10.010 -6.616 -4.138 1.00 0.00 C ATOM 653 CE LYS A 41 -10.778 -5.742 -5.124 1.00 0.00 C ATOM 654 NZ LYS A 41 -11.817 -6.561 -5.810 1.00 0.00 N ATOM 0 H LYS A 41 -5.045 -7.714 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.075 -5.794 -3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.695 -7.818 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.411 -7.135 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.890 -5.011 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.147 -5.669 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.815 -7.594 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.608 -6.783 -3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.245 -4.908 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.094 -5.315 -5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.341 -5.965 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.361 -7.342 -6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.476 -6.948 -5.104 1.00 0.00 H new ATOM 668 N GLU A 42 -5.668 -4.679 -0.892 1.00 0.00 N ATOM 669 CA GLU A 42 -5.786 -3.628 0.102 1.00 0.00 C ATOM 670 C GLU A 42 -6.193 -2.323 -0.572 1.00 0.00 C ATOM 671 O GLU A 42 -7.338 -1.886 -0.469 1.00 0.00 O ATOM 672 CB GLU A 42 -4.460 -3.436 0.831 1.00 0.00 C ATOM 673 CG GLU A 42 -4.292 -4.521 1.887 1.00 0.00 C ATOM 674 CD GLU A 42 -3.121 -4.167 2.805 1.00 0.00 C ATOM 675 OE1 GLU A 42 -3.144 -3.086 3.369 1.00 0.00 O ATOM 676 OE2 GLU A 42 -2.222 -4.982 2.926 1.00 0.00 O ATOM 0 H GLU A 42 -4.720 -5.021 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.548 -3.916 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.634 -3.476 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.431 -2.452 1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.207 -4.620 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.114 -5.484 1.408 1.00 0.00 H new ATOM 683 N LYS A 43 -5.252 -1.711 -1.271 1.00 0.00 N ATOM 684 CA LYS A 43 -5.524 -0.454 -1.946 1.00 0.00 C ATOM 685 C LYS A 43 -4.305 -0.043 -2.763 1.00 0.00 C ATOM 686 O LYS A 43 -3.915 1.123 -2.777 1.00 0.00 O ATOM 687 CB LYS A 43 -5.829 0.618 -0.909 1.00 0.00 C ATOM 688 CG LYS A 43 -4.767 0.566 0.183 1.00 0.00 C ATOM 689 CD LYS A 43 -5.032 1.664 1.206 1.00 0.00 C ATOM 690 CE LYS A 43 -3.841 1.770 2.154 1.00 0.00 C ATOM 691 NZ LYS A 43 -4.225 2.576 3.347 1.00 0.00 N ATOM 0 H LYS A 43 -4.301 -2.061 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.380 -0.572 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.840 1.602 -1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.818 0.457 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.779 -0.409 0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.776 0.693 -0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.195 2.616 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.939 1.442 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.519 0.775 2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.997 2.235 1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.413 2.648 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.513 3.529 3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.018 2.115 3.837 1.00 0.00 H new ATOM 705 N THR A 44 -3.711 -1.007 -3.443 1.00 0.00 N ATOM 706 CA THR A 44 -2.532 -0.734 -4.236 1.00 0.00 C ATOM 707 C THR A 44 -2.653 -1.391 -5.605 1.00 0.00 C ATOM 708 O THR A 44 -2.786 -0.714 -6.622 1.00 0.00 O ATOM 709 CB THR A 44 -1.304 -1.279 -3.520 1.00 0.00 C ATOM 710 OG1 THR A 44 -1.430 -1.047 -2.126 1.00 0.00 O ATOM 711 CG2 THR A 44 -0.054 -0.581 -4.043 1.00 0.00 C ATOM 0 H THR A 44 -4.024 -1.978 -3.461 1.00 0.00 H new ATOM 0 HA THR A 44 -2.435 0.344 -4.368 1.00 0.00 H new ATOM 0 HB THR A 44 -1.222 -2.350 -3.705 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.006 -1.780 -1.633 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.824 -0.973 -3.529 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.042 -0.761 -5.114 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.133 0.491 -3.861 1.00 0.00 H new ATOM 719 N GLY A 45 -2.610 -2.713 -5.626 1.00 0.00 N ATOM 720 CA GLY A 45 -2.685 -3.430 -6.879 1.00 0.00 C ATOM 721 C GLY A 45 -4.032 -4.135 -7.046 1.00 0.00 C ATOM 722 O GLY A 45 -4.481 -4.348 -8.168 1.00 0.00 O ATOM 0 H GLY A 45 -2.525 -3.302 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.532 -2.736 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.881 -4.165 -6.927 1.00 0.00 H new ATOM 726 N LYS A 46 -4.680 -4.472 -5.930 1.00 0.00 N ATOM 727 CA LYS A 46 -5.933 -5.213 -5.985 1.00 0.00 C ATOM 728 C LYS A 46 -5.614 -6.559 -6.603 1.00 0.00 C ATOM 729 O LYS A 46 -5.408 -6.671 -7.809 1.00 0.00 O ATOM 730 CB LYS A 46 -6.984 -4.470 -6.800 1.00 0.00 C ATOM 731 CG LYS A 46 -7.163 -3.060 -6.244 1.00 0.00 C ATOM 732 CD LYS A 46 -7.220 -3.098 -4.716 1.00 0.00 C ATOM 733 CE LYS A 46 -8.561 -2.565 -4.236 1.00 0.00 C ATOM 734 NZ LYS A 46 -8.664 -1.110 -4.543 1.00 0.00 N ATOM 0 H LYS A 46 -4.360 -4.245 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.353 -5.332 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.681 -4.423 -7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.932 -5.008 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.338 -2.426 -6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.078 -2.619 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.077 -4.119 -4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.410 -2.500 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.373 -3.107 -4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.665 -2.728 -3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.356 -0.669 -3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.735 -0.661 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.972 -0.984 -5.528 1.00 0.00 H new ATOM 748 N GLU A 47 -5.600 -7.584 -5.773 1.00 0.00 N ATOM 749 CA GLU A 47 -5.155 -8.881 -6.241 1.00 0.00 C ATOM 750 C GLU A 47 -3.746 -8.628 -6.750 1.00 0.00 C ATOM 751 O GLU A 47 -3.457 -8.737 -7.940 1.00 0.00 O ATOM 752 CB GLU A 47 -6.050 -9.404 -7.357 1.00 0.00 C ATOM 753 CG GLU A 47 -7.494 -9.410 -6.878 1.00 0.00 C ATOM 754 CD GLU A 47 -8.246 -8.226 -7.486 1.00 0.00 C ATOM 755 OE1 GLU A 47 -8.354 -8.178 -8.699 1.00 0.00 O ATOM 756 OE2 GLU A 47 -8.699 -7.386 -6.729 1.00 0.00 O ATOM 0 H GLU A 47 -5.884 -7.547 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.189 -9.637 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.951 -8.777 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.745 -10.411 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.977 -10.345 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.526 -9.353 -5.790 1.00 0.00 H new ATOM 763 N TYR A 48 -2.891 -8.265 -5.804 1.00 0.00 N ATOM 764 CA TYR A 48 -1.532 -7.854 -6.098 1.00 0.00 C ATOM 765 C TYR A 48 -0.858 -8.708 -7.171 1.00 0.00 C ATOM 766 O TYR A 48 -1.069 -9.915 -7.262 1.00 0.00 O ATOM 767 CB TYR A 48 -0.685 -7.883 -4.840 1.00 0.00 C ATOM 768 CG TYR A 48 0.428 -6.904 -5.056 1.00 0.00 C ATOM 769 CD1 TYR A 48 1.598 -7.320 -5.690 1.00 0.00 C ATOM 770 CD2 TYR A 48 0.236 -5.553 -4.750 1.00 0.00 C ATOM 771 CE1 TYR A 48 2.571 -6.387 -6.039 1.00 0.00 C ATOM 772 CE2 TYR A 48 1.206 -4.617 -5.094 1.00 0.00 C ATOM 773 CZ TYR A 48 2.379 -5.032 -5.741 1.00 0.00 C ATOM 774 OH TYR A 48 3.342 -4.109 -6.089 1.00 0.00 O ATOM 0 H TYR A 48 -3.124 -8.248 -4.811 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.605 -6.838 -6.487 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.278 -7.611 -3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.292 -8.884 -4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.750 -8.366 -5.911 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.665 -5.236 -4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.473 -6.708 -6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.056 -3.573 -4.863 1.00 0.00 H new ATOM 0 HH TYR A 48 3.813 -4.414 -6.892 1.00 0.00 H new ATOM 784 N VAL A 49 -0.027 -8.047 -7.970 1.00 0.00 N ATOM 785 CA VAL A 49 0.717 -8.720 -9.023 1.00 0.00 C ATOM 786 C VAL A 49 2.116 -9.081 -8.515 1.00 0.00 C ATOM 787 O VAL A 49 2.977 -8.217 -8.356 1.00 0.00 O ATOM 788 CB VAL A 49 0.828 -7.808 -10.240 1.00 0.00 C ATOM 789 CG1 VAL A 49 1.556 -8.540 -11.363 1.00 0.00 C ATOM 790 CG2 VAL A 49 -0.570 -7.418 -10.711 1.00 0.00 C ATOM 0 H VAL A 49 0.147 -7.044 -7.906 1.00 0.00 H new ATOM 0 HA VAL A 49 0.192 -9.632 -9.308 1.00 0.00 H new ATOM 0 HB VAL A 49 1.386 -6.911 -9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.634 -7.887 -12.232 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.555 -8.819 -11.028 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.000 -9.438 -11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.492 -6.766 -11.581 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.127 -8.316 -10.979 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.091 -6.893 -9.910 1.00 0.00 H new ATOM 800 N PRO A 50 2.359 -10.375 -8.260 1.00 0.00 N ATOM 801 CA PRO A 50 3.627 -10.870 -7.746 1.00 0.00 C ATOM 802 C PRO A 50 4.642 -11.203 -8.847 1.00 0.00 C ATOM 803 O PRO A 50 5.642 -10.505 -9.006 1.00 0.00 O ATOM 804 CB PRO A 50 3.222 -12.120 -6.983 1.00 0.00 C ATOM 805 CG PRO A 50 1.928 -12.602 -7.642 1.00 0.00 C ATOM 806 CD PRO A 50 1.390 -11.438 -8.477 1.00 0.00 C ATOM 0 HA PRO A 50 4.136 -10.122 -7.138 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.999 -12.883 -7.040 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.066 -11.901 -5.927 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.116 -13.472 -8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.201 -12.904 -6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.317 -11.703 -9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.392 -11.141 -8.153 1.00 0.00 H new ATOM 814 N GLY A 51 4.390 -12.269 -9.599 1.00 0.00 N ATOM 815 CA GLY A 51 5.304 -12.660 -10.661 1.00 0.00 C ATOM 816 C GLY A 51 4.743 -13.870 -11.394 1.00 0.00 C ATOM 817 O GLY A 51 4.243 -13.757 -12.512 1.00 0.00 O ATOM 0 H GLY A 51 3.572 -12.869 -9.494 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.445 -11.833 -11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.283 -12.896 -10.244 1.00 0.00 H new ATOM 821 N LEU A 52 4.835 -15.027 -10.761 1.00 0.00 N ATOM 822 CA LEU A 52 4.292 -16.236 -11.354 1.00 0.00 C ATOM 823 C LEU A 52 2.797 -16.010 -11.544 1.00 0.00 C ATOM 824 O LEU A 52 2.297 -15.976 -12.666 1.00 0.00 O ATOM 825 CB LEU A 52 4.546 -17.428 -10.435 1.00 0.00 C ATOM 826 CG LEU A 52 6.046 -17.563 -10.180 1.00 0.00 C ATOM 827 CD1 LEU A 52 6.283 -18.406 -8.930 1.00 0.00 C ATOM 828 CD2 LEU A 52 6.703 -18.242 -11.377 1.00 0.00 C ATOM 0 H LEU A 52 5.274 -15.154 -9.849 1.00 0.00 H new ATOM 0 HA LEU A 52 4.768 -16.452 -12.311 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.017 -17.293 -9.492 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.160 -18.340 -10.890 1.00 0.00 H new ATOM 0 HG LEU A 52 6.477 -16.572 -10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.354 -18.500 -8.752 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.813 -17.925 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.851 -19.397 -9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.774 -18.340 -11.198 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.267 -19.231 -11.519 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.538 -17.641 -12.272 1.00 0.00 H new ATOM 840 N GLU A 53 2.101 -15.856 -10.429 1.00 0.00 N ATOM 841 CA GLU A 53 0.691 -15.538 -10.440 1.00 0.00 C ATOM 842 C GLU A 53 -0.143 -16.574 -11.189 1.00 0.00 C ATOM 843 O GLU A 53 -0.275 -16.530 -12.411 1.00 0.00 O ATOM 844 CB GLU A 53 0.506 -14.166 -11.068 1.00 0.00 C ATOM 845 CG GLU A 53 -0.962 -13.791 -11.037 1.00 0.00 C ATOM 846 CD GLU A 53 -1.533 -14.032 -9.641 1.00 0.00 C ATOM 847 OE1 GLU A 53 -0.829 -13.774 -8.677 1.00 0.00 O ATOM 848 OE2 GLU A 53 -2.669 -14.462 -9.560 1.00 0.00 O ATOM 0 H GLU A 53 2.501 -15.949 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 53 0.337 -15.542 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.093 -13.424 -10.527 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.869 -14.172 -12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.084 -12.744 -11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.512 -14.380 -11.771 1.00 0.00 H new ATOM 855 N HIS A 54 -0.714 -17.485 -10.422 1.00 0.00 N ATOM 856 CA HIS A 54 -1.583 -18.530 -10.965 1.00 0.00 C ATOM 857 C HIS A 54 -0.807 -19.517 -11.845 1.00 0.00 C ATOM 858 O HIS A 54 0.009 -19.130 -12.679 1.00 0.00 O ATOM 859 CB HIS A 54 -2.707 -17.897 -11.779 1.00 0.00 C ATOM 860 CG HIS A 54 -3.501 -18.978 -12.457 1.00 0.00 C ATOM 861 ND1 HIS A 54 -4.627 -19.667 -12.079 1.00 0.00 N flip ATOM 862 CD2 HIS A 54 -3.149 -19.482 -13.699 1.00 0.00 C flip ATOM 863 CE1 HIS A 54 -4.969 -20.585 -13.069 1.00 0.00 C flip ATOM 864 NE2 HIS A 54 -4.045 -20.431 -14.021 1.00 0.00 N flip ATOM 0 H HIS A 54 -0.594 -17.527 -9.410 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.998 -19.085 -10.123 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.354 -17.308 -11.129 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -2.294 -17.214 -12.521 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -5.136 -19.528 -11.206 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.307 -19.169 -14.299 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -5.802 -21.273 -13.067 1.00 0.00 H new ATOM 872 N HIS A 55 -1.084 -20.798 -11.654 1.00 0.00 N ATOM 873 CA HIS A 55 -0.431 -21.837 -12.433 1.00 0.00 C ATOM 874 C HIS A 55 -1.374 -23.033 -12.577 1.00 0.00 C ATOM 875 O HIS A 55 -2.098 -23.376 -11.645 1.00 0.00 O ATOM 876 CB HIS A 55 0.851 -22.282 -11.736 1.00 0.00 C ATOM 877 CG HIS A 55 1.616 -23.212 -12.637 1.00 0.00 C ATOM 878 ND1 HIS A 55 1.389 -24.579 -12.653 1.00 0.00 N ATOM 879 CD2 HIS A 55 2.610 -22.986 -13.556 1.00 0.00 C ATOM 880 CE1 HIS A 55 2.229 -25.118 -13.555 1.00 0.00 C ATOM 881 NE2 HIS A 55 2.996 -24.192 -14.134 1.00 0.00 N ATOM 0 H HIS A 55 -1.755 -21.142 -10.967 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.184 -21.443 -13.419 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.462 -21.414 -11.488 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.612 -22.783 -10.798 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.029 -22.020 -13.794 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.277 -26.173 -13.783 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.711 -24.337 -14.847 1.00 0.00 H new ATOM 889 N HIS A 56 -1.362 -23.661 -13.743 1.00 0.00 N ATOM 890 CA HIS A 56 -2.221 -24.813 -13.977 1.00 0.00 C ATOM 891 C HIS A 56 -1.566 -26.077 -13.421 1.00 0.00 C ATOM 892 O HIS A 56 -2.098 -26.626 -12.472 1.00 0.00 O ATOM 893 CB HIS A 56 -2.468 -24.984 -15.472 1.00 0.00 C ATOM 894 CG HIS A 56 -3.385 -23.896 -15.959 1.00 0.00 C ATOM 895 ND1 HIS A 56 -4.711 -23.815 -15.561 1.00 0.00 N ATOM 896 CD2 HIS A 56 -3.189 -22.850 -16.825 1.00 0.00 C ATOM 897 CE1 HIS A 56 -5.256 -22.753 -16.182 1.00 0.00 C ATOM 898 NE2 HIS A 56 -4.372 -22.129 -16.965 1.00 0.00 N ATOM 0 H HIS A 56 -0.775 -23.397 -14.534 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.172 -24.649 -13.471 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.523 -24.947 -16.014 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.910 -25.961 -15.669 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.258 -22.621 -17.323 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.284 -22.443 -16.062 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.530 -21.302 -17.541 1.00 0.00 H new TER 906 HIS A 56