USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 497 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 1 ALA N :NH3+ -166:sc= 2.64 (180deg=1.47) USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.033 K(o=2.6,f=-16!) USER MOD Set 2.1: A 31 GLN : amide:sc= -0.143 K(o=6.6,f=3.3!) USER MOD Set 2.2: A 33 TYR OH : rot 14:sc= 2.2 USER MOD Set 2.3: A 67 TYR OH : rot -149:sc= 1.45 USER MOD Set 2.4: A 70 LYS NZ :NH3+ -174:sc= 3.14 (180deg=1.59) USER MOD Set 3.1: A 20 CYS SG : rot 180:sc= 0.163 USER MOD Set 3.2: A 24 CYS SG : rot 137:sc= 0.103 USER MOD Set 4.1: A 2 TYR OH : rot 160:sc= 0.745 USER MOD Set 4.2: A 16 CYS SG : rot -28:sc= 0.644 USER MOD Single : A 5 THR OG1 : rot -76:sc= 0.822 USER MOD Single : A 8 CYS SG : rot 180:sc= 0.0211 USER MOD Single : A 26 HIS : no HD1:sc=-0.00328 X(o=-0.0033,f=-0.22) USER MOD Single : A 32 TYR OH : rot -143:sc= 1.25 USER MOD Single : A 39 CYS SG : rot 150:sc= -0.325 USER MOD Single : A 42 CYS SG : rot 15:sc= -0.364 USER MOD Single : A 45 CYS SG : rot 127:sc= 1.03 USER MOD Single : A 49 CYS SG : rot 160:sc= 0.294 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0635 USER MOD Single : A 55 TYR OH : rot 128:sc= 0.173 USER MOD Single : A 65 LYS NZ :NH3+ -130:sc= 3.61 (180deg=1.32) USER MOD Single : A 66 SER OG : rot 111:sc= 0.289 USER MOD Single : A 69 GLN : amide:sc= -1.43 X(o=-1.4,f=-1) USER MOD Single : A 71 ASN : amide:sc= -3.32! C(o=-3.3!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.730 -4.723 8.795 1.00 0.00 N ATOM 2 CA ALA A 1 -1.084 -3.540 8.198 1.00 0.00 C ATOM 3 C ALA A 1 -1.750 -3.094 6.893 1.00 0.00 C ATOM 4 O ALA A 1 -2.622 -3.787 6.367 1.00 0.00 O ATOM 5 CB ALA A 1 0.393 -3.845 7.968 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.403 -4.839 9.776 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.762 -4.596 8.787 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.481 -5.569 8.245 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.195 -2.710 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.880 -2.975 7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.868 -4.082 8.920 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.488 -4.696 7.293 1.00 0.00 H new ATOM 12 N TYR A 2 -1.334 -1.928 6.379 1.00 0.00 N ATOM 13 CA TYR A 2 -1.766 -1.386 5.090 1.00 0.00 C ATOM 14 C TYR A 2 -1.060 -2.165 3.982 1.00 0.00 C ATOM 15 O TYR A 2 0.160 -2.322 4.015 1.00 0.00 O ATOM 16 CB TYR A 2 -1.468 0.129 5.035 1.00 0.00 C ATOM 17 CG TYR A 2 -1.217 0.795 3.681 1.00 0.00 C ATOM 18 CD1 TYR A 2 -1.860 0.391 2.496 1.00 0.00 C ATOM 19 CD2 TYR A 2 -0.342 1.894 3.625 1.00 0.00 C ATOM 20 CE1 TYR A 2 -1.472 0.944 1.262 1.00 0.00 C ATOM 21 CE2 TYR A 2 -0.046 2.532 2.411 1.00 0.00 C ATOM 22 CZ TYR A 2 -0.566 2.018 1.218 1.00 0.00 C ATOM 23 OH TYR A 2 -0.210 2.559 0.020 1.00 0.00 O ATOM 0 H TYR A 2 -0.671 -1.323 6.863 1.00 0.00 H new ATOM 0 HA TYR A 2 -2.842 -1.499 4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -2.306 0.645 5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -0.593 0.313 5.658 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -2.651 -0.343 2.534 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.112 2.255 4.536 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -1.872 0.541 0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 2 0.578 3.413 2.397 1.00 0.00 H new ATOM 0 HH TYR A 2 0.145 3.462 0.161 1.00 0.00 H new ATOM 33 N VAL A 3 -1.831 -2.633 2.998 1.00 0.00 N ATOM 34 CA VAL A 3 -1.310 -3.209 1.767 1.00 0.00 C ATOM 35 C VAL A 3 -1.999 -2.551 0.570 1.00 0.00 C ATOM 36 O VAL A 3 -3.129 -2.072 0.641 1.00 0.00 O ATOM 37 CB VAL A 3 -1.440 -4.740 1.822 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.207 -5.451 0.488 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.370 -5.286 2.778 1.00 0.00 C ATOM 0 H VAL A 3 -2.850 -2.620 3.040 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.246 -3.006 1.649 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.466 -4.933 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.319 -6.527 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.935 -5.100 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.200 -5.234 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.448 -6.372 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.619 -5.010 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.521 -4.864 3.772 1.00 0.00 H new ATOM 49 N ILE A 4 -1.266 -2.481 -0.538 1.00 0.00 N ATOM 50 CA ILE A 4 -1.776 -1.938 -1.779 1.00 0.00 C ATOM 51 C ILE A 4 -2.930 -2.798 -2.300 1.00 0.00 C ATOM 52 O ILE A 4 -3.098 -3.950 -1.902 1.00 0.00 O ATOM 53 CB ILE A 4 -0.604 -1.868 -2.786 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.727 -0.639 -3.703 1.00 0.00 C ATOM 55 CG2 ILE A 4 -0.489 -3.123 -3.653 1.00 0.00 C ATOM 56 CD1 ILE A 4 -0.380 0.665 -2.978 1.00 0.00 C ATOM 0 H ILE A 4 -0.299 -2.802 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.176 -0.935 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 4 0.299 -1.789 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.067 -0.762 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.744 -0.577 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.351 -3.015 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.327 -3.992 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.408 -3.257 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.482 1.503 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.057 0.804 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.646 0.617 -2.614 1.00 0.00 H new ATOM 68 N THR A 5 -3.689 -2.267 -3.250 1.00 0.00 N ATOM 69 CA THR A 5 -4.501 -3.096 -4.116 1.00 0.00 C ATOM 70 C THR A 5 -4.027 -2.891 -5.547 1.00 0.00 C ATOM 71 O THR A 5 -3.217 -3.664 -6.047 1.00 0.00 O ATOM 72 CB THR A 5 -5.981 -2.724 -3.955 1.00 0.00 C ATOM 73 OG1 THR A 5 -6.118 -1.315 -3.885 1.00 0.00 O ATOM 74 CG2 THR A 5 -6.565 -3.358 -2.700 1.00 0.00 C ATOM 0 H THR A 5 -3.756 -1.266 -3.436 1.00 0.00 H new ATOM 0 HA THR A 5 -4.399 -4.149 -3.853 1.00 0.00 H new ATOM 0 HB THR A 5 -6.526 -3.101 -4.820 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.841 -1.003 -2.998 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.615 -3.080 -2.607 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.481 -4.443 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.018 -3.006 -1.826 1.00 0.00 H new ATOM 82 N GLU A 6 -4.602 -1.888 -6.209 1.00 0.00 N ATOM 83 CA GLU A 6 -4.786 -1.938 -7.649 1.00 0.00 C ATOM 84 C GLU A 6 -5.086 -0.540 -8.228 1.00 0.00 C ATOM 85 O GLU A 6 -4.373 -0.095 -9.121 1.00 0.00 O ATOM 86 CB GLU A 6 -5.797 -3.046 -7.947 1.00 0.00 C ATOM 87 CG GLU A 6 -6.058 -3.332 -9.427 1.00 0.00 C ATOM 88 CD GLU A 6 -5.466 -4.687 -9.826 1.00 0.00 C ATOM 89 OE1 GLU A 6 -4.225 -4.809 -9.730 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.255 -5.602 -10.153 1.00 0.00 O ATOM 0 H GLU A 6 -4.946 -1.035 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.872 -2.209 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.449 -3.965 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.744 -2.784 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.131 -3.326 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.620 -2.543 -10.038 1.00 0.00 H new ATOM 97 N PRO A 7 -6.058 0.240 -7.721 1.00 0.00 N ATOM 98 CA PRO A 7 -6.216 1.620 -8.167 1.00 0.00 C ATOM 99 C PRO A 7 -4.990 2.545 -8.012 1.00 0.00 C ATOM 100 O PRO A 7 -5.058 3.683 -8.467 1.00 0.00 O ATOM 101 CB PRO A 7 -7.427 2.186 -7.425 1.00 0.00 C ATOM 102 CG PRO A 7 -8.189 0.980 -6.877 1.00 0.00 C ATOM 103 CD PRO A 7 -7.248 -0.218 -7.020 1.00 0.00 C ATOM 0 HA PRO A 7 -6.350 1.591 -9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.115 2.849 -6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.055 2.773 -8.095 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.466 1.135 -5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.113 0.818 -7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.986 -0.618 -6.041 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.733 -1.022 -7.573 1.00 0.00 H new ATOM 111 N CYS A 8 -3.885 2.117 -7.384 1.00 0.00 N ATOM 112 CA CYS A 8 -2.638 2.883 -7.393 1.00 0.00 C ATOM 113 C CYS A 8 -1.986 2.830 -8.786 1.00 0.00 C ATOM 114 O CYS A 8 -1.331 3.791 -9.191 1.00 0.00 O ATOM 115 CB CYS A 8 -1.700 2.361 -6.326 1.00 0.00 C ATOM 116 SG CYS A 8 -0.100 3.219 -6.177 1.00 0.00 S ATOM 0 H CYS A 8 -3.834 1.242 -6.863 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.859 3.926 -7.169 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.210 2.416 -5.364 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.507 1.307 -6.525 1.00 0.00 H new ATOM 0 HG CYS A 8 0.599 2.672 -5.227 1.00 0.00 H new ATOM 121 N ILE A 9 -2.157 1.720 -9.525 1.00 0.00 N ATOM 122 CA ILE A 9 -1.417 1.444 -10.747 1.00 0.00 C ATOM 123 C ILE A 9 -1.425 2.623 -11.724 1.00 0.00 C ATOM 124 O ILE A 9 -2.468 3.000 -12.254 1.00 0.00 O ATOM 125 CB ILE A 9 -1.928 0.134 -11.371 1.00 0.00 C ATOM 126 CG1 ILE A 9 -1.656 -0.984 -10.352 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.218 -0.139 -12.705 1.00 0.00 C ATOM 128 CD1 ILE A 9 -1.791 -2.412 -10.819 1.00 0.00 C ATOM 0 H ILE A 9 -2.823 0.987 -9.279 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.365 1.310 -10.494 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.994 0.193 -11.590 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.643 -0.851 -9.972 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.334 -0.842 -9.510 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.592 -1.070 -13.132 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.413 0.682 -13.396 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.145 -0.223 -12.535 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.569 -3.088 -9.993 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.809 -2.586 -11.167 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.092 -2.595 -11.635 1.00 0.00 H new ATOM 140 N GLY A 10 -0.243 3.203 -11.942 1.00 0.00 N ATOM 141 CA GLY A 10 -0.004 4.295 -12.872 1.00 0.00 C ATOM 142 C GLY A 10 -0.692 5.611 -12.489 1.00 0.00 C ATOM 143 O GLY A 10 -0.623 6.573 -13.251 1.00 0.00 O ATOM 0 H GLY A 10 0.603 2.909 -11.454 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.070 4.467 -12.944 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.346 3.995 -13.863 1.00 0.00 H new ATOM 216 N CYS A 16 1.994 8.499 -0.839 1.00 0.00 N ATOM 217 CA CYS A 16 1.738 7.912 0.478 1.00 0.00 C ATOM 218 C CYS A 16 3.033 7.452 1.170 1.00 0.00 C ATOM 219 O CYS A 16 2.984 6.616 2.071 1.00 0.00 O ATOM 220 CB CYS A 16 0.714 6.793 0.371 1.00 0.00 C ATOM 221 SG CYS A 16 1.055 5.420 -0.767 1.00 0.00 S ATOM 0 HA CYS A 16 1.317 8.690 1.116 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.576 6.373 1.367 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.237 7.239 0.078 1.00 0.00 H new ATOM 0 HG CYS A 16 1.807 5.840 -1.741 1.00 0.00 H new ATOM 226 N VAL A 17 4.197 8.007 0.812 1.00 0.00 N ATOM 227 CA VAL A 17 5.482 7.565 1.360 1.00 0.00 C ATOM 228 C VAL A 17 5.934 8.523 2.460 1.00 0.00 C ATOM 229 O VAL A 17 6.141 8.126 3.607 1.00 0.00 O ATOM 230 CB VAL A 17 6.524 7.316 0.239 1.00 0.00 C ATOM 231 CG1 VAL A 17 6.302 8.114 -1.051 1.00 0.00 C ATOM 232 CG2 VAL A 17 7.973 7.521 0.706 1.00 0.00 C ATOM 0 H VAL A 17 4.273 8.770 0.139 1.00 0.00 H new ATOM 0 HA VAL A 17 5.367 6.592 1.837 1.00 0.00 H new ATOM 0 HB VAL A 17 6.361 6.265 -0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.083 7.868 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.329 7.862 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.336 9.181 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.653 7.332 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.102 8.546 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.194 6.831 1.520 1.00 0.00 H new ATOM 242 N GLU A 18 6.035 9.801 2.110 1.00 0.00 N ATOM 243 CA GLU A 18 6.506 10.898 2.937 1.00 0.00 C ATOM 244 C GLU A 18 5.758 11.009 4.275 1.00 0.00 C ATOM 245 O GLU A 18 6.261 11.617 5.218 1.00 0.00 O ATOM 246 CB GLU A 18 6.436 12.203 2.119 1.00 0.00 C ATOM 247 CG GLU A 18 5.096 12.494 1.424 1.00 0.00 C ATOM 248 CD GLU A 18 4.915 11.815 0.063 1.00 0.00 C ATOM 249 OE1 GLU A 18 4.570 10.609 0.057 1.00 0.00 O ATOM 250 OE2 GLU A 18 5.167 12.501 -0.947 1.00 0.00 O ATOM 0 H GLU A 18 5.771 10.115 1.176 1.00 0.00 H new ATOM 0 HA GLU A 18 7.541 10.701 3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.667 13.037 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.217 12.174 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.286 12.179 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.998 13.572 1.292 1.00 0.00 H new ATOM 257 N VAL A 19 4.554 10.443 4.354 1.00 0.00 N ATOM 258 CA VAL A 19 3.695 10.501 5.526 1.00 0.00 C ATOM 259 C VAL A 19 4.026 9.422 6.566 1.00 0.00 C ATOM 260 O VAL A 19 3.713 9.607 7.741 1.00 0.00 O ATOM 261 CB VAL A 19 2.225 10.418 5.080 1.00 0.00 C ATOM 262 CG1 VAL A 19 1.915 11.481 4.018 1.00 0.00 C ATOM 263 CG2 VAL A 19 1.858 9.032 4.533 1.00 0.00 C ATOM 0 H VAL A 19 4.143 9.919 3.582 1.00 0.00 H new ATOM 0 HA VAL A 19 3.873 11.453 6.026 1.00 0.00 H new ATOM 0 HB VAL A 19 1.622 10.601 5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.870 11.402 3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.100 12.473 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.554 11.324 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.810 9.025 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.485 8.803 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.018 8.281 5.307 1.00 0.00 H new ATOM 273 N CYS A 20 4.583 8.274 6.159 1.00 0.00 N ATOM 274 CA CYS A 20 4.614 7.096 7.025 1.00 0.00 C ATOM 275 C CYS A 20 5.758 7.171 8.052 1.00 0.00 C ATOM 276 O CYS A 20 6.919 7.252 7.654 1.00 0.00 O ATOM 277 CB CYS A 20 4.704 5.843 6.197 1.00 0.00 C ATOM 278 SG CYS A 20 4.974 4.312 7.129 1.00 0.00 S ATOM 0 H CYS A 20 5.013 8.139 5.244 1.00 0.00 H new ATOM 0 HA CYS A 20 3.683 7.070 7.591 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.783 5.741 5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.516 5.960 5.480 1.00 0.00 H new ATOM 0 HG CYS A 20 5.031 3.307 6.306 1.00 0.00 H new ATOM 283 N PRO A 21 5.467 7.095 9.368 1.00 0.00 N ATOM 284 CA PRO A 21 6.461 7.116 10.436 1.00 0.00 C ATOM 285 C PRO A 21 7.661 6.181 10.259 1.00 0.00 C ATOM 286 O PRO A 21 8.704 6.433 10.857 1.00 0.00 O ATOM 287 CB PRO A 21 5.698 6.738 11.709 1.00 0.00 C ATOM 288 CG PRO A 21 4.305 7.295 11.445 1.00 0.00 C ATOM 289 CD PRO A 21 4.131 7.043 9.949 1.00 0.00 C ATOM 0 HA PRO A 21 6.912 8.108 10.455 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.680 5.659 11.864 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.149 7.180 12.597 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.544 6.783 12.035 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.238 8.355 11.689 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.666 6.074 9.769 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.482 7.796 9.501 1.00 0.00 H new ATOM 297 N VAL A 22 7.498 5.079 9.518 1.00 0.00 N ATOM 298 CA VAL A 22 8.543 4.083 9.303 1.00 0.00 C ATOM 299 C VAL A 22 8.905 3.943 7.817 1.00 0.00 C ATOM 300 O VAL A 22 9.534 2.954 7.444 1.00 0.00 O ATOM 301 CB VAL A 22 8.124 2.744 9.945 1.00 0.00 C ATOM 302 CG1 VAL A 22 8.050 2.874 11.472 1.00 0.00 C ATOM 303 CG2 VAL A 22 6.775 2.232 9.422 1.00 0.00 C ATOM 0 H VAL A 22 6.622 4.855 9.046 1.00 0.00 H new ATOM 0 HA VAL A 22 9.456 4.419 9.794 1.00 0.00 H new ATOM 0 HB VAL A 22 8.890 2.021 9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.753 1.919 11.905 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.027 3.160 11.861 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.317 3.636 11.737 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.531 1.287 9.908 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.998 2.964 9.641 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.837 2.080 8.344 1.00 0.00 H new ATOM 313 N ASP A 23 8.511 4.909 6.974 1.00 0.00 N ATOM 314 CA ASP A 23 8.981 5.076 5.595 1.00 0.00 C ATOM 315 C ASP A 23 8.750 3.854 4.688 1.00 0.00 C ATOM 316 O ASP A 23 9.287 3.797 3.583 1.00 0.00 O ATOM 317 CB ASP A 23 10.472 5.467 5.584 1.00 0.00 C ATOM 318 CG ASP A 23 10.779 6.734 6.369 1.00 0.00 C ATOM 319 OD1 ASP A 23 10.718 7.817 5.747 1.00 0.00 O ATOM 320 OD2 ASP A 23 11.105 6.594 7.567 1.00 0.00 O ATOM 0 H ASP A 23 7.832 5.620 7.246 1.00 0.00 H new ATOM 0 HA ASP A 23 8.373 5.877 5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.057 4.645 5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.795 5.603 4.552 1.00 0.00 H new ATOM 325 N CYS A 24 7.966 2.858 5.109 1.00 0.00 N ATOM 326 CA CYS A 24 8.023 1.524 4.506 1.00 0.00 C ATOM 327 C CYS A 24 7.179 1.368 3.242 1.00 0.00 C ATOM 328 O CYS A 24 6.840 0.242 2.873 1.00 0.00 O ATOM 329 CB CYS A 24 7.654 0.448 5.525 1.00 0.00 C ATOM 330 SG CYS A 24 5.897 0.548 5.948 1.00 0.00 S ATOM 0 H CYS A 24 7.286 2.950 5.863 1.00 0.00 H new ATOM 0 HA CYS A 24 9.059 1.395 4.193 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.880 -0.538 5.119 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.258 0.569 6.424 1.00 0.00 H new ATOM 0 HG CYS A 24 5.391 -0.649 5.987 1.00 0.00 H new ATOM 336 N ILE A 25 6.873 2.477 2.564 1.00 0.00 N ATOM 337 CA ILE A 25 6.227 2.477 1.264 1.00 0.00 C ATOM 338 C ILE A 25 7.356 2.599 0.245 1.00 0.00 C ATOM 339 O ILE A 25 8.175 3.513 0.324 1.00 0.00 O ATOM 340 CB ILE A 25 5.202 3.617 1.128 1.00 0.00 C ATOM 341 CG1 ILE A 25 4.025 3.511 2.117 1.00 0.00 C ATOM 342 CG2 ILE A 25 4.603 3.633 -0.286 1.00 0.00 C ATOM 343 CD1 ILE A 25 4.377 3.925 3.543 1.00 0.00 C ATOM 0 H ILE A 25 7.074 3.413 2.916 1.00 0.00 H new ATOM 0 HA ILE A 25 5.650 1.565 1.109 1.00 0.00 H new ATOM 0 HB ILE A 25 5.759 4.529 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.206 4.135 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.662 2.483 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.880 4.445 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.398 3.782 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.105 2.683 -0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.498 3.823 4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.175 3.285 3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.711 4.963 3.549 1.00 0.00 H new ATOM 355 N HIS A 26 7.424 1.652 -0.683 1.00 0.00 N ATOM 356 CA HIS A 26 8.468 1.507 -1.667 1.00 0.00 C ATOM 357 C HIS A 26 7.808 1.358 -3.036 1.00 0.00 C ATOM 358 O HIS A 26 6.583 1.354 -3.132 1.00 0.00 O ATOM 359 CB HIS A 26 9.226 0.247 -1.282 1.00 0.00 C ATOM 360 CG HIS A 26 9.796 0.275 0.114 1.00 0.00 C ATOM 361 ND1 HIS A 26 10.579 1.271 0.653 1.00 0.00 N ATOM 362 CD2 HIS A 26 9.516 -0.619 1.114 1.00 0.00 C ATOM 363 CE1 HIS A 26 10.790 0.964 1.944 1.00 0.00 C ATOM 364 NE2 HIS A 26 10.168 -0.181 2.270 1.00 0.00 N ATOM 0 H HIS A 26 6.709 0.930 -0.766 1.00 0.00 H new ATOM 0 HA HIS A 26 9.146 2.359 -1.707 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.557 -0.609 -1.373 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.039 0.093 -1.992 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.902 -1.503 1.025 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.380 1.557 2.627 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.171 -0.640 3.181 1.00 0.00 H new ATOM 372 N GLU A 27 8.604 1.218 -4.095 1.00 0.00 N ATOM 373 CA GLU A 27 8.094 1.179 -5.454 1.00 0.00 C ATOM 374 C GLU A 27 8.137 -0.246 -6.006 1.00 0.00 C ATOM 375 O GLU A 27 9.023 -1.022 -5.648 1.00 0.00 O ATOM 376 CB GLU A 27 8.901 2.137 -6.341 1.00 0.00 C ATOM 377 CG GLU A 27 9.285 3.431 -5.609 1.00 0.00 C ATOM 378 CD GLU A 27 9.840 4.473 -6.569 1.00 0.00 C ATOM 379 OE1 GLU A 27 10.937 4.213 -7.106 1.00 0.00 O ATOM 380 OE2 GLU A 27 9.157 5.505 -6.745 1.00 0.00 O ATOM 0 H GLU A 27 9.618 1.129 -4.030 1.00 0.00 H new ATOM 0 HA GLU A 27 7.053 1.502 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.806 1.635 -6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.318 2.384 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.410 3.835 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.027 3.210 -4.842 1.00 0.00 H new ATOM 387 N GLY A 28 7.192 -0.580 -6.885 1.00 0.00 N ATOM 388 CA GLY A 28 7.248 -1.770 -7.727 1.00 0.00 C ATOM 389 C GLY A 28 7.139 -1.404 -9.201 1.00 0.00 C ATOM 390 O GLY A 28 7.768 -0.449 -9.647 1.00 0.00 O ATOM 0 H GLY A 28 6.352 -0.020 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.183 -2.301 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.439 -2.449 -7.457 1.00 0.00 H new ATOM 394 N GLU A 29 6.376 -2.192 -9.964 1.00 0.00 N ATOM 395 CA GLU A 29 6.400 -2.193 -11.411 1.00 0.00 C ATOM 396 C GLU A 29 5.906 -0.858 -11.974 1.00 0.00 C ATOM 397 O GLU A 29 6.672 -0.111 -12.579 1.00 0.00 O ATOM 398 CB GLU A 29 5.557 -3.381 -11.904 1.00 0.00 C ATOM 399 CG GLU A 29 6.064 -4.740 -11.390 1.00 0.00 C ATOM 400 CD GLU A 29 5.474 -5.187 -10.058 1.00 0.00 C ATOM 401 OE1 GLU A 29 4.866 -4.354 -9.346 1.00 0.00 O ATOM 402 OE2 GLU A 29 5.634 -6.381 -9.730 1.00 0.00 O ATOM 0 H GLU A 29 5.712 -2.860 -9.573 1.00 0.00 H new ATOM 0 HA GLU A 29 7.423 -2.309 -11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.524 -3.242 -11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.556 -3.390 -12.994 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.845 -5.500 -12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.149 -4.692 -11.292 1.00 0.00 H new ATOM 409 N ASP A 30 4.614 -0.589 -11.781 1.00 0.00 N ATOM 410 CA ASP A 30 3.931 0.638 -12.171 1.00 0.00 C ATOM 411 C ASP A 30 3.018 1.067 -11.019 1.00 0.00 C ATOM 412 O ASP A 30 1.930 1.601 -11.213 1.00 0.00 O ATOM 413 CB ASP A 30 3.134 0.334 -13.445 1.00 0.00 C ATOM 414 CG ASP A 30 2.533 1.580 -14.083 1.00 0.00 C ATOM 415 OD1 ASP A 30 3.205 2.633 -14.037 1.00 0.00 O ATOM 416 OD2 ASP A 30 1.420 1.447 -14.636 1.00 0.00 O ATOM 0 H ASP A 30 3.989 -1.255 -11.327 1.00 0.00 H new ATOM 0 HA ASP A 30 4.626 1.453 -12.374 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.786 -0.158 -14.166 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.334 -0.368 -13.208 1.00 0.00 H new ATOM 421 N GLN A 31 3.425 0.734 -9.793 1.00 0.00 N ATOM 422 CA GLN A 31 2.606 0.713 -8.611 1.00 0.00 C ATOM 423 C GLN A 31 3.567 0.770 -7.439 1.00 0.00 C ATOM 424 O GLN A 31 4.686 0.268 -7.558 1.00 0.00 O ATOM 425 CB GLN A 31 1.831 -0.602 -8.621 1.00 0.00 C ATOM 426 CG GLN A 31 1.038 -0.798 -7.327 1.00 0.00 C ATOM 427 CD GLN A 31 -0.206 -1.674 -7.444 1.00 0.00 C ATOM 428 OE1 GLN A 31 -1.310 -1.239 -7.135 1.00 0.00 O ATOM 429 NE2 GLN A 31 -0.034 -2.926 -7.862 1.00 0.00 N ATOM 0 H GLN A 31 4.389 0.459 -9.603 1.00 0.00 H new ATOM 0 HA GLN A 31 1.897 1.539 -8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.150 -0.617 -9.472 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.524 -1.433 -8.753 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.699 -1.235 -6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.738 0.181 -6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.898 -3.257 -8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.834 -3.555 -7.933 1.00 0.00 H new ATOM 438 N TYR A 32 3.146 1.364 -6.327 1.00 0.00 N ATOM 439 CA TYR A 32 3.924 1.365 -5.105 1.00 0.00 C ATOM 440 C TYR A 32 3.451 0.206 -4.236 1.00 0.00 C ATOM 441 O TYR A 32 2.340 -0.289 -4.404 1.00 0.00 O ATOM 442 CB TYR A 32 3.776 2.716 -4.391 1.00 0.00 C ATOM 443 CG TYR A 32 4.514 3.865 -5.056 1.00 0.00 C ATOM 444 CD1 TYR A 32 4.171 4.287 -6.356 1.00 0.00 C ATOM 445 CD2 TYR A 32 5.580 4.494 -4.384 1.00 0.00 C ATOM 446 CE1 TYR A 32 4.964 5.236 -7.022 1.00 0.00 C ATOM 447 CE2 TYR A 32 6.332 5.488 -5.029 1.00 0.00 C ATOM 448 CZ TYR A 32 6.066 5.810 -6.369 1.00 0.00 C ATOM 449 OH TYR A 32 6.858 6.707 -7.024 1.00 0.00 O ATOM 0 H TYR A 32 2.256 1.856 -6.253 1.00 0.00 H new ATOM 0 HA TYR A 32 4.984 1.232 -5.320 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.717 2.967 -4.332 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.137 2.613 -3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.296 3.880 -6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.819 4.211 -3.370 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.726 5.524 -8.035 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.115 6.005 -4.494 1.00 0.00 H new ATOM 0 HH TYR A 32 7.792 6.574 -6.758 1.00 0.00 H new ATOM 459 N TYR A 33 4.312 -0.262 -3.339 1.00 0.00 N ATOM 460 CA TYR A 33 4.021 -1.342 -2.410 1.00 0.00 C ATOM 461 C TYR A 33 4.461 -0.891 -1.022 1.00 0.00 C ATOM 462 O TYR A 33 5.066 0.167 -0.869 1.00 0.00 O ATOM 463 CB TYR A 33 4.780 -2.613 -2.809 1.00 0.00 C ATOM 464 CG TYR A 33 4.363 -3.194 -4.147 1.00 0.00 C ATOM 465 CD1 TYR A 33 4.650 -2.509 -5.339 1.00 0.00 C ATOM 466 CD2 TYR A 33 3.571 -4.354 -4.192 1.00 0.00 C ATOM 467 CE1 TYR A 33 4.047 -2.906 -6.543 1.00 0.00 C ATOM 468 CE2 TYR A 33 2.976 -4.757 -5.397 1.00 0.00 C ATOM 469 CZ TYR A 33 3.211 -4.029 -6.572 1.00 0.00 C ATOM 470 OH TYR A 33 2.832 -4.560 -7.769 1.00 0.00 O ATOM 0 H TYR A 33 5.256 0.111 -3.237 1.00 0.00 H new ATOM 0 HA TYR A 33 2.955 -1.569 -2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.847 -2.391 -2.839 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.633 -3.368 -2.036 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.336 -1.675 -5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.420 -4.937 -3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.228 -2.345 -7.448 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.337 -5.628 -5.419 1.00 0.00 H new ATOM 0 HH TYR A 33 3.394 -4.192 -8.483 1.00 0.00 H new ATOM 480 N ILE A 34 4.178 -1.711 -0.015 1.00 0.00 N ATOM 481 CA ILE A 34 4.460 -1.443 1.386 1.00 0.00 C ATOM 482 C ILE A 34 5.096 -2.701 1.953 1.00 0.00 C ATOM 483 O ILE A 34 4.757 -3.786 1.483 1.00 0.00 O ATOM 484 CB ILE A 34 3.153 -1.109 2.140 1.00 0.00 C ATOM 485 CG1 ILE A 34 2.370 0.003 1.417 1.00 0.00 C ATOM 486 CG2 ILE A 34 3.434 -0.726 3.611 1.00 0.00 C ATOM 487 CD1 ILE A 34 1.328 -0.560 0.446 1.00 0.00 C ATOM 0 H ILE A 34 3.728 -2.615 -0.161 1.00 0.00 H new ATOM 0 HA ILE A 34 5.127 -0.588 1.496 1.00 0.00 H new ATOM 0 HB ILE A 34 2.535 -2.007 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.873 0.634 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.067 0.639 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.494 -0.497 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.922 -1.559 4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.084 0.148 3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.802 0.262 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.826 -1.169 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.614 -1.174 0.995 1.00 0.00 H new ATOM 499 N ASP A 35 5.973 -2.590 2.956 1.00 0.00 N ATOM 500 CA ASP A 35 6.242 -3.716 3.832 1.00 0.00 C ATOM 501 C ASP A 35 5.237 -3.724 4.995 1.00 0.00 C ATOM 502 O ASP A 35 5.307 -2.848 5.865 1.00 0.00 O ATOM 503 CB ASP A 35 7.682 -3.763 4.336 1.00 0.00 C ATOM 504 CG ASP A 35 7.846 -5.077 5.083 1.00 0.00 C ATOM 505 OD1 ASP A 35 7.228 -5.204 6.158 1.00 0.00 O ATOM 506 OD2 ASP A 35 8.462 -6.012 4.533 1.00 0.00 O ATOM 0 H ASP A 35 6.497 -1.742 3.173 1.00 0.00 H new ATOM 0 HA ASP A 35 6.114 -4.622 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.384 -3.701 3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.889 -2.917 4.992 1.00 0.00 H new ATOM 511 N PRO A 36 4.304 -4.693 5.031 1.00 0.00 N ATOM 512 CA PRO A 36 3.265 -4.741 6.043 1.00 0.00 C ATOM 513 C PRO A 36 3.734 -5.343 7.371 1.00 0.00 C ATOM 514 O PRO A 36 2.949 -5.381 8.313 1.00 0.00 O ATOM 515 CB PRO A 36 2.157 -5.598 5.427 1.00 0.00 C ATOM 516 CG PRO A 36 2.920 -6.571 4.540 1.00 0.00 C ATOM 517 CD PRO A 36 4.083 -5.727 4.029 1.00 0.00 C ATOM 0 HA PRO A 36 2.938 -3.733 6.298 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.579 -6.118 6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.455 -4.995 4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.267 -7.440 5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.302 -6.943 3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.977 -6.336 3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.848 -5.287 3.060 1.00 0.00 H new ATOM 525 N ASP A 37 4.965 -5.852 7.477 1.00 0.00 N ATOM 526 CA ASP A 37 5.516 -6.324 8.716 1.00 0.00 C ATOM 527 C ASP A 37 6.206 -5.156 9.423 1.00 0.00 C ATOM 528 O ASP A 37 6.180 -5.060 10.647 1.00 0.00 O ATOM 529 CB ASP A 37 6.464 -7.452 8.380 1.00 0.00 C ATOM 530 CG ASP A 37 5.763 -8.712 7.903 1.00 0.00 C ATOM 531 OD1 ASP A 37 4.797 -9.153 8.564 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.174 -9.222 6.835 1.00 0.00 O ATOM 0 H ASP A 37 5.602 -5.942 6.685 1.00 0.00 H new ATOM 0 HA ASP A 37 4.755 -6.703 9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.156 -7.116 7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.060 -7.689 9.261 1.00 0.00 H new ATOM 537 N VAL A 38 6.820 -4.260 8.645 1.00 0.00 N ATOM 538 CA VAL A 38 7.410 -3.033 9.147 1.00 0.00 C ATOM 539 C VAL A 38 6.307 -2.057 9.542 1.00 0.00 C ATOM 540 O VAL A 38 6.395 -1.444 10.604 1.00 0.00 O ATOM 541 CB VAL A 38 8.335 -2.417 8.089 1.00 0.00 C ATOM 542 CG1 VAL A 38 8.710 -0.987 8.490 1.00 0.00 C ATOM 543 CG2 VAL A 38 9.601 -3.265 7.912 1.00 0.00 C ATOM 0 H VAL A 38 6.918 -4.376 7.636 1.00 0.00 H new ATOM 0 HA VAL A 38 8.009 -3.256 10.030 1.00 0.00 H new ATOM 0 HB VAL A 38 7.803 -2.393 7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.367 -0.557 7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.806 -0.383 8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.224 -1.002 9.451 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.242 -2.809 7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.138 -3.319 8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.324 -4.270 7.594 1.00 0.00 H new ATOM 553 N CYS A 39 5.307 -1.863 8.670 1.00 0.00 N ATOM 554 CA CYS A 39 4.176 -1.000 8.991 1.00 0.00 C ATOM 555 C CYS A 39 3.629 -1.387 10.368 1.00 0.00 C ATOM 556 O CYS A 39 3.223 -2.526 10.585 1.00 0.00 O ATOM 557 CB CYS A 39 3.116 -1.143 7.934 1.00 0.00 C ATOM 558 SG CYS A 39 1.505 -0.375 8.317 1.00 0.00 S ATOM 0 H CYS A 39 5.264 -2.291 7.745 1.00 0.00 H new ATOM 0 HA CYS A 39 4.494 0.042 9.017 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.493 -0.710 7.007 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.956 -2.205 7.748 1.00 0.00 H new ATOM 0 HG CYS A 39 0.932 0.005 7.214 1.00 0.00 H new ATOM 563 N ILE A 40 3.617 -0.443 11.311 1.00 0.00 N ATOM 564 CA ILE A 40 3.285 -0.714 12.710 1.00 0.00 C ATOM 565 C ILE A 40 1.778 -0.924 12.944 1.00 0.00 C ATOM 566 O ILE A 40 1.320 -0.863 14.083 1.00 0.00 O ATOM 567 CB ILE A 40 3.877 0.391 13.599 1.00 0.00 C ATOM 568 CG1 ILE A 40 3.335 1.786 13.236 1.00 0.00 C ATOM 569 CG2 ILE A 40 5.410 0.388 13.520 1.00 0.00 C ATOM 570 CD1 ILE A 40 2.517 2.368 14.387 1.00 0.00 C ATOM 0 H ILE A 40 3.838 0.535 11.124 1.00 0.00 H new ATOM 0 HA ILE A 40 3.739 -1.665 12.989 1.00 0.00 H new ATOM 0 HB ILE A 40 3.568 0.173 14.621 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.164 2.453 13.000 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.716 1.719 12.342 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.809 1.178 14.157 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.790 -0.576 13.857 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.722 0.560 12.490 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.145 3.353 14.107 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.675 1.710 14.604 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.146 2.456 15.273 1.00 0.00 H new ATOM 582 N ASP A 41 1.024 -1.181 11.872 1.00 0.00 N ATOM 583 CA ASP A 41 -0.406 -1.435 11.843 1.00 0.00 C ATOM 584 C ASP A 41 -1.153 -0.224 12.393 1.00 0.00 C ATOM 585 O ASP A 41 -1.746 -0.247 13.471 1.00 0.00 O ATOM 586 CB ASP A 41 -0.768 -2.789 12.477 1.00 0.00 C ATOM 587 CG ASP A 41 -1.907 -3.456 11.710 1.00 0.00 C ATOM 588 OD1 ASP A 41 -2.758 -2.726 11.162 1.00 0.00 O ATOM 589 OD2 ASP A 41 -1.866 -4.695 11.559 1.00 0.00 O ATOM 0 H ASP A 41 1.433 -1.218 10.938 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.743 -1.550 10.813 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.106 -3.440 12.479 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.060 -2.643 13.517 1.00 0.00 H new ATOM 594 N CYS A 42 -1.038 0.868 11.631 1.00 0.00 N ATOM 595 CA CYS A 42 -1.553 2.185 11.958 1.00 0.00 C ATOM 596 C CYS A 42 -2.513 2.619 10.844 1.00 0.00 C ATOM 597 O CYS A 42 -3.019 1.768 10.112 1.00 0.00 O ATOM 598 CB CYS A 42 -0.387 3.106 12.290 1.00 0.00 C ATOM 599 SG CYS A 42 0.223 4.395 11.165 1.00 0.00 S ATOM 0 H CYS A 42 -0.560 0.848 10.730 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.162 2.209 12.862 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.649 3.609 13.221 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.463 2.459 12.506 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.657 4.609 10.233 1.00 0.00 H new ATOM 604 N GLY A 43 -2.791 3.913 10.720 1.00 0.00 N ATOM 605 CA GLY A 43 -3.563 4.468 9.624 1.00 0.00 C ATOM 606 C GLY A 43 -2.850 5.709 9.096 1.00 0.00 C ATOM 607 O GLY A 43 -1.642 5.676 8.851 1.00 0.00 O ATOM 0 H GLY A 43 -2.479 4.614 11.392 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.674 3.730 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.567 4.725 9.962 1.00 0.00 H new ATOM 611 N ALA A 44 -3.594 6.808 8.956 1.00 0.00 N ATOM 612 CA ALA A 44 -3.118 8.143 8.606 1.00 0.00 C ATOM 613 C ALA A 44 -2.791 8.239 7.116 1.00 0.00 C ATOM 614 O ALA A 44 -3.394 9.041 6.403 1.00 0.00 O ATOM 615 CB ALA A 44 -1.945 8.581 9.495 1.00 0.00 C ATOM 0 H ALA A 44 -4.605 6.786 9.093 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.928 8.847 8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.620 9.579 9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.263 8.594 10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.118 7.881 9.377 1.00 0.00 H new ATOM 621 N CYS A 45 -1.864 7.396 6.650 1.00 0.00 N ATOM 622 CA CYS A 45 -1.513 7.231 5.244 1.00 0.00 C ATOM 623 C CYS A 45 -2.779 7.096 4.384 1.00 0.00 C ATOM 624 O CYS A 45 -2.891 7.732 3.338 1.00 0.00 O ATOM 625 CB CYS A 45 -0.528 6.089 5.110 1.00 0.00 C ATOM 626 SG CYS A 45 -1.034 4.491 5.799 1.00 0.00 S ATOM 0 H CYS A 45 -1.321 6.791 7.266 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.009 8.118 4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.311 5.949 4.051 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.405 6.386 5.590 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.916 3.569 4.890 1.00 0.00 H new ATOM 631 N GLU A 46 -3.771 6.365 4.904 1.00 0.00 N ATOM 632 CA GLU A 46 -5.181 6.392 4.517 1.00 0.00 C ATOM 633 C GLU A 46 -5.605 7.662 3.767 1.00 0.00 C ATOM 634 O GLU A 46 -6.165 7.596 2.674 1.00 0.00 O ATOM 635 CB GLU A 46 -6.032 6.314 5.794 1.00 0.00 C ATOM 636 CG GLU A 46 -5.838 5.047 6.632 1.00 0.00 C ATOM 637 CD GLU A 46 -6.589 5.194 7.948 1.00 0.00 C ATOM 638 OE1 GLU A 46 -6.165 6.077 8.729 1.00 0.00 O ATOM 639 OE2 GLU A 46 -7.567 4.445 8.142 1.00 0.00 O ATOM 0 H GLU A 46 -3.596 5.697 5.654 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.330 5.549 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.805 7.180 6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.083 6.389 5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.204 4.177 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.777 4.882 6.822 1.00 0.00 H new ATOM 646 N ALA A 47 -5.412 8.819 4.406 1.00 0.00 N ATOM 647 CA ALA A 47 -6.079 10.057 4.042 1.00 0.00 C ATOM 648 C ALA A 47 -5.657 10.581 2.672 1.00 0.00 C ATOM 649 O ALA A 47 -6.458 11.220 1.994 1.00 0.00 O ATOM 650 CB ALA A 47 -5.806 11.112 5.119 1.00 0.00 C ATOM 0 H ALA A 47 -4.779 8.916 5.200 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.147 9.847 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.304 12.043 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.187 10.760 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.732 11.284 5.196 1.00 0.00 H new ATOM 656 N VAL A 48 -4.390 10.393 2.293 1.00 0.00 N ATOM 657 CA VAL A 48 -3.842 11.135 1.164 1.00 0.00 C ATOM 658 C VAL A 48 -4.262 10.553 -0.186 1.00 0.00 C ATOM 659 O VAL A 48 -4.295 11.285 -1.175 1.00 0.00 O ATOM 660 CB VAL A 48 -2.318 11.303 1.281 1.00 0.00 C ATOM 661 CG1 VAL A 48 -1.956 12.049 2.571 1.00 0.00 C ATOM 662 CG2 VAL A 48 -1.539 9.986 1.220 1.00 0.00 C ATOM 0 H VAL A 48 -3.740 9.748 2.742 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.278 12.133 1.206 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.021 11.884 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.873 12.158 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.421 13.035 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.316 11.485 3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.472 10.190 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.854 9.338 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.735 9.491 0.269 1.00 0.00 H new ATOM 672 N CYS A 49 -4.546 9.249 -0.252 1.00 0.00 N ATOM 673 CA CYS A 49 -4.663 8.563 -1.531 1.00 0.00 C ATOM 674 C CYS A 49 -5.895 9.033 -2.321 1.00 0.00 C ATOM 675 O CYS A 49 -7.026 8.823 -1.870 1.00 0.00 O ATOM 676 CB CYS A 49 -4.686 7.077 -1.321 1.00 0.00 C ATOM 677 SG CYS A 49 -4.558 6.151 -2.865 1.00 0.00 S ATOM 0 H CYS A 49 -4.697 8.655 0.563 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.788 8.816 -2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.863 6.795 -0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.610 6.801 -0.812 1.00 0.00 H new ATOM 0 HG CYS A 49 -4.161 4.939 -2.613 1.00 0.00 H new ATOM 682 N PRO A 50 -5.712 9.670 -3.493 1.00 0.00 N ATOM 683 CA PRO A 50 -6.808 10.286 -4.224 1.00 0.00 C ATOM 684 C PRO A 50 -7.837 9.253 -4.686 1.00 0.00 C ATOM 685 O PRO A 50 -9.034 9.528 -4.656 1.00 0.00 O ATOM 686 CB PRO A 50 -6.180 11.047 -5.397 1.00 0.00 C ATOM 687 CG PRO A 50 -4.759 10.497 -5.529 1.00 0.00 C ATOM 688 CD PRO A 50 -4.439 9.890 -4.164 1.00 0.00 C ATOM 0 HA PRO A 50 -7.365 10.970 -3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.748 10.891 -6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.169 12.120 -5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.698 9.747 -6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.053 11.287 -5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.894 8.953 -4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.806 10.560 -3.582 1.00 0.00 H new ATOM 696 N VAL A 51 -7.376 8.077 -5.124 1.00 0.00 N ATOM 697 CA VAL A 51 -8.234 6.990 -5.585 1.00 0.00 C ATOM 698 C VAL A 51 -8.069 5.810 -4.625 1.00 0.00 C ATOM 699 O VAL A 51 -7.821 4.692 -5.061 1.00 0.00 O ATOM 700 CB VAL A 51 -7.890 6.623 -7.045 1.00 0.00 C ATOM 701 CG1 VAL A 51 -8.975 5.729 -7.669 1.00 0.00 C ATOM 702 CG2 VAL A 51 -7.757 7.870 -7.930 1.00 0.00 C ATOM 0 H VAL A 51 -6.382 7.854 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.282 7.291 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.939 6.093 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.702 5.489 -8.697 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.063 4.808 -7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.929 6.255 -7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.515 7.569 -8.949 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.698 8.419 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.963 8.509 -7.542 1.00 0.00 H new ATOM 712 N SER A 52 -8.199 6.085 -3.322 1.00 0.00 N ATOM 713 CA SER A 52 -8.099 5.178 -2.180 1.00 0.00 C ATOM 714 C SER A 52 -7.872 3.694 -2.506 1.00 0.00 C ATOM 715 O SER A 52 -8.757 2.860 -2.313 1.00 0.00 O ATOM 716 CB SER A 52 -9.317 5.412 -1.286 1.00 0.00 C ATOM 717 OG SER A 52 -9.543 6.810 -1.166 1.00 0.00 O ATOM 0 H SER A 52 -8.395 7.038 -3.015 1.00 0.00 H new ATOM 0 HA SER A 52 -7.177 5.425 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.194 4.924 -1.710 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.152 4.972 -0.303 1.00 0.00 H new ATOM 0 HG SER A 52 -10.324 6.967 -0.595 1.00 0.00 H new ATOM 723 N ALA A 53 -6.652 3.384 -2.959 1.00 0.00 N ATOM 724 CA ALA A 53 -6.110 2.049 -3.171 1.00 0.00 C ATOM 725 C ALA A 53 -5.578 1.477 -1.857 1.00 0.00 C ATOM 726 O ALA A 53 -5.372 0.267 -1.743 1.00 0.00 O ATOM 727 CB ALA A 53 -4.968 2.142 -4.187 1.00 0.00 C ATOM 0 H ALA A 53 -5.978 4.110 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.896 1.392 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.551 1.150 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.349 2.542 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.190 2.801 -3.801 1.00 0.00 H new ATOM 733 N ILE A 54 -5.327 2.360 -0.888 1.00 0.00 N ATOM 734 CA ILE A 54 -4.851 2.029 0.439 1.00 0.00 C ATOM 735 C ILE A 54 -5.896 1.180 1.157 1.00 0.00 C ATOM 736 O ILE A 54 -6.956 1.696 1.508 1.00 0.00 O ATOM 737 CB ILE A 54 -4.533 3.339 1.194 1.00 0.00 C ATOM 738 CG1 ILE A 54 -3.383 4.049 0.454 1.00 0.00 C ATOM 739 CG2 ILE A 54 -4.249 3.069 2.681 1.00 0.00 C ATOM 740 CD1 ILE A 54 -2.761 5.227 1.208 1.00 0.00 C ATOM 0 H ILE A 54 -5.458 3.363 -1.021 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.935 1.440 0.390 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.394 4.007 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.602 3.319 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.754 4.407 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.029 4.010 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.123 2.607 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.394 2.399 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.962 5.662 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.524 5.982 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.354 4.877 2.157 1.00 0.00 H new ATOM 752 N TYR A 55 -5.605 -0.106 1.386 1.00 0.00 N ATOM 753 CA TYR A 55 -6.489 -0.968 2.145 1.00 0.00 C ATOM 754 C TYR A 55 -5.730 -1.851 3.113 1.00 0.00 C ATOM 755 O TYR A 55 -4.561 -2.147 2.922 1.00 0.00 O ATOM 756 CB TYR A 55 -7.347 -1.784 1.188 1.00 0.00 C ATOM 757 CG TYR A 55 -8.444 -1.003 0.493 1.00 0.00 C ATOM 758 CD1 TYR A 55 -9.535 -0.513 1.233 1.00 0.00 C ATOM 759 CD2 TYR A 55 -8.366 -0.744 -0.885 1.00 0.00 C ATOM 760 CE1 TYR A 55 -10.532 0.250 0.601 1.00 0.00 C ATOM 761 CE2 TYR A 55 -9.362 0.015 -1.518 1.00 0.00 C ATOM 762 CZ TYR A 55 -10.412 0.560 -0.764 1.00 0.00 C ATOM 763 OH TYR A 55 -11.263 1.455 -1.338 1.00 0.00 O ATOM 0 H TYR A 55 -4.758 -0.565 1.051 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.141 -0.344 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.700 -2.227 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.801 -2.607 1.741 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.607 -0.724 2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.537 -1.130 -1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.387 0.597 1.163 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.320 0.179 -2.585 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.747 2.137 -1.816 1.00 0.00 H new ATOM 773 N HIS A 56 -6.393 -2.259 4.189 1.00 0.00 N ATOM 774 CA HIS A 56 -5.796 -3.166 5.145 1.00 0.00 C ATOM 775 C HIS A 56 -5.838 -4.580 4.559 1.00 0.00 C ATOM 776 O HIS A 56 -6.788 -4.916 3.856 1.00 0.00 O ATOM 777 CB HIS A 56 -6.572 -3.038 6.463 1.00 0.00 C ATOM 778 CG HIS A 56 -5.925 -3.773 7.604 1.00 0.00 C ATOM 779 ND1 HIS A 56 -6.261 -5.023 8.070 1.00 0.00 N ATOM 780 CD2 HIS A 56 -4.786 -3.381 8.251 1.00 0.00 C ATOM 781 CE1 HIS A 56 -5.311 -5.394 8.946 1.00 0.00 C ATOM 782 NE2 HIS A 56 -4.368 -4.441 9.063 1.00 0.00 N ATOM 0 H HIS A 56 -7.345 -1.972 4.416 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.751 -2.931 5.349 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.662 -1.983 6.723 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.583 -3.419 6.320 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.080 -5.568 7.801 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.296 -2.424 8.153 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.305 -6.331 9.483 1.00 0.00 H new ATOM 790 N GLU A 57 -4.841 -5.420 4.849 1.00 0.00 N ATOM 791 CA GLU A 57 -4.731 -6.780 4.328 1.00 0.00 C ATOM 792 C GLU A 57 -6.037 -7.578 4.424 1.00 0.00 C ATOM 793 O GLU A 57 -6.358 -8.369 3.540 1.00 0.00 O ATOM 794 CB GLU A 57 -3.642 -7.481 5.151 1.00 0.00 C ATOM 795 CG GLU A 57 -2.239 -6.904 4.989 1.00 0.00 C ATOM 796 CD GLU A 57 -1.273 -7.358 6.072 1.00 0.00 C ATOM 797 OE1 GLU A 57 -1.408 -6.814 7.190 1.00 0.00 O ATOM 798 OE2 GLU A 57 -0.399 -8.208 5.773 1.00 0.00 O ATOM 0 H GLU A 57 -4.071 -5.165 5.467 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.490 -6.729 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.918 -7.435 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.619 -8.535 4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.845 -7.194 4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.298 -5.816 4.998 1.00 0.00 H new ATOM 805 N ASP A 58 -6.777 -7.372 5.510 1.00 0.00 N ATOM 806 CA ASP A 58 -8.028 -8.055 5.791 1.00 0.00 C ATOM 807 C ASP A 58 -9.114 -7.580 4.828 1.00 0.00 C ATOM 808 O ASP A 58 -9.768 -8.383 4.158 1.00 0.00 O ATOM 809 CB ASP A 58 -8.438 -7.759 7.234 1.00 0.00 C ATOM 810 CG ASP A 58 -9.757 -8.445 7.546 1.00 0.00 C ATOM 811 OD1 ASP A 58 -9.749 -9.694 7.564 1.00 0.00 O ATOM 812 OD2 ASP A 58 -10.741 -7.700 7.733 1.00 0.00 O ATOM 0 H ASP A 58 -6.512 -6.706 6.236 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.898 -9.129 5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.666 -8.107 7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.534 -6.683 7.381 1.00 0.00 H new ATOM 817 N PHE A 59 -9.252 -6.251 4.755 1.00 0.00 N ATOM 818 CA PHE A 59 -10.189 -5.517 3.936 1.00 0.00 C ATOM 819 C PHE A 59 -9.946 -5.825 2.472 1.00 0.00 C ATOM 820 O PHE A 59 -10.890 -5.867 1.687 1.00 0.00 O ATOM 821 CB PHE A 59 -9.932 -4.021 4.141 1.00 0.00 C ATOM 822 CG PHE A 59 -10.729 -3.310 5.209 1.00 0.00 C ATOM 823 CD1 PHE A 59 -11.100 -3.960 6.401 1.00 0.00 C ATOM 824 CD2 PHE A 59 -11.016 -1.943 5.035 1.00 0.00 C ATOM 825 CE1 PHE A 59 -11.768 -3.241 7.408 1.00 0.00 C ATOM 826 CE2 PHE A 59 -11.665 -1.223 6.049 1.00 0.00 C ATOM 827 CZ PHE A 59 -12.042 -1.872 7.236 1.00 0.00 C ATOM 0 H PHE A 59 -8.665 -5.628 5.310 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.206 -5.794 4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.874 -3.891 4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -10.117 -3.516 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -10.873 -5.006 6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -10.736 -1.447 4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -12.071 -3.741 8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -11.874 -0.172 5.917 1.00 0.00 H new ATOM 0 HZ PHE A 59 -12.543 -1.320 8.017 1.00 0.00 H new ATOM 837 N VAL A 60 -8.668 -5.948 2.102 1.00 0.00 N ATOM 838 CA VAL A 60 -8.296 -6.187 0.719 1.00 0.00 C ATOM 839 C VAL A 60 -9.137 -7.359 0.192 1.00 0.00 C ATOM 840 O VAL A 60 -9.127 -8.422 0.813 1.00 0.00 O ATOM 841 CB VAL A 60 -6.779 -6.420 0.600 1.00 0.00 C ATOM 842 CG1 VAL A 60 -6.473 -7.298 -0.619 1.00 0.00 C ATOM 843 CG2 VAL A 60 -6.104 -5.085 0.327 1.00 0.00 C ATOM 0 H VAL A 60 -7.880 -5.885 2.746 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.507 -5.315 0.100 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.428 -6.888 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.397 -7.456 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.974 -8.260 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.830 -6.803 -1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.028 -5.233 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.489 -4.666 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.311 -4.398 1.148 1.00 0.00 H new ATOM 853 N PRO A 61 -9.898 -7.177 -0.901 1.00 0.00 N ATOM 854 CA PRO A 61 -10.845 -8.187 -1.338 1.00 0.00 C ATOM 855 C PRO A 61 -10.091 -9.455 -1.716 1.00 0.00 C ATOM 856 O PRO A 61 -8.943 -9.374 -2.130 1.00 0.00 O ATOM 857 CB PRO A 61 -11.588 -7.586 -2.536 1.00 0.00 C ATOM 858 CG PRO A 61 -10.722 -6.414 -3.006 1.00 0.00 C ATOM 859 CD PRO A 61 -9.871 -6.028 -1.794 1.00 0.00 C ATOM 0 HA PRO A 61 -11.555 -8.460 -0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.716 -8.323 -3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.585 -7.249 -2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.096 -6.702 -3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.338 -5.578 -3.336 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.850 -5.791 -2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.272 -5.142 -1.302 1.00 0.00 H new ATOM 867 N GLU A 62 -10.718 -10.623 -1.591 1.00 0.00 N ATOM 868 CA GLU A 62 -10.222 -11.922 -1.971 1.00 0.00 C ATOM 869 C GLU A 62 -9.529 -11.909 -3.332 1.00 0.00 C ATOM 870 O GLU A 62 -8.416 -12.412 -3.462 1.00 0.00 O ATOM 871 CB GLU A 62 -11.433 -12.838 -1.851 1.00 0.00 C ATOM 872 CG GLU A 62 -11.507 -13.429 -0.432 1.00 0.00 C ATOM 873 CD GLU A 62 -11.525 -12.345 0.638 1.00 0.00 C ATOM 874 OE1 GLU A 62 -12.276 -11.365 0.441 1.00 0.00 O ATOM 875 OE2 GLU A 62 -10.712 -12.444 1.582 1.00 0.00 O ATOM 0 H GLU A 62 -11.655 -10.678 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.419 -12.283 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.344 -12.281 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.366 -13.641 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.403 -14.043 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.653 -14.086 -0.268 1.00 0.00 H new ATOM 882 N GLU A 63 -10.147 -11.248 -4.306 1.00 0.00 N ATOM 883 CA GLU A 63 -9.561 -10.930 -5.605 1.00 0.00 C ATOM 884 C GLU A 63 -8.098 -10.458 -5.485 1.00 0.00 C ATOM 885 O GLU A 63 -7.217 -10.900 -6.225 1.00 0.00 O ATOM 886 CB GLU A 63 -10.471 -9.868 -6.231 1.00 0.00 C ATOM 887 CG GLU A 63 -10.058 -9.411 -7.630 1.00 0.00 C ATOM 888 CD GLU A 63 -11.138 -8.513 -8.221 1.00 0.00 C ATOM 889 OE1 GLU A 63 -11.539 -7.571 -7.503 1.00 0.00 O ATOM 890 OE2 GLU A 63 -11.570 -8.810 -9.354 1.00 0.00 O ATOM 0 H GLU A 63 -11.103 -10.907 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.508 -11.816 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.486 -10.262 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.497 -8.999 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.111 -8.873 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.900 -10.277 -8.273 1.00 0.00 H new ATOM 897 N TRP A 64 -7.849 -9.558 -4.531 1.00 0.00 N ATOM 898 CA TRP A 64 -6.573 -8.926 -4.251 1.00 0.00 C ATOM 899 C TRP A 64 -5.911 -9.434 -2.964 1.00 0.00 C ATOM 900 O TRP A 64 -4.832 -8.951 -2.631 1.00 0.00 O ATOM 901 CB TRP A 64 -6.767 -7.397 -4.313 1.00 0.00 C ATOM 902 CG TRP A 64 -7.117 -6.873 -5.682 1.00 0.00 C ATOM 903 CD1 TRP A 64 -6.662 -7.399 -6.841 1.00 0.00 C ATOM 904 CD2 TRP A 64 -7.968 -5.748 -6.083 1.00 0.00 C ATOM 905 NE1 TRP A 64 -7.180 -6.712 -7.913 1.00 0.00 N ATOM 906 CE2 TRP A 64 -8.041 -5.729 -7.506 1.00 0.00 C ATOM 907 CE3 TRP A 64 -8.653 -4.711 -5.410 1.00 0.00 C ATOM 908 CZ2 TRP A 64 -8.796 -4.795 -8.222 1.00 0.00 C ATOM 909 CZ3 TRP A 64 -9.297 -3.684 -6.132 1.00 0.00 C ATOM 910 CH2 TRP A 64 -9.407 -3.745 -7.530 1.00 0.00 C ATOM 0 H TRP A 64 -8.582 -9.237 -3.899 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.850 -9.209 -5.015 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -7.555 -7.114 -3.616 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.852 -6.912 -3.974 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.988 -8.239 -6.914 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.952 -6.910 -8.887 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.684 -4.705 -4.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -8.905 -4.883 -9.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -9.711 -2.839 -5.602 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -9.959 -2.987 -8.066 1.00 0.00 H new ATOM 921 N LYS A 65 -6.442 -10.465 -2.288 1.00 0.00 N ATOM 922 CA LYS A 65 -5.731 -11.135 -1.194 1.00 0.00 C ATOM 923 C LYS A 65 -4.328 -11.556 -1.660 1.00 0.00 C ATOM 924 O LYS A 65 -3.369 -11.501 -0.893 1.00 0.00 O ATOM 925 CB LYS A 65 -6.541 -12.301 -0.621 1.00 0.00 C ATOM 926 CG LYS A 65 -7.638 -11.797 0.337 1.00 0.00 C ATOM 927 CD LYS A 65 -7.064 -11.101 1.571 1.00 0.00 C ATOM 928 CE LYS A 65 -7.987 -11.117 2.786 1.00 0.00 C ATOM 929 NZ LYS A 65 -9.284 -10.451 2.547 1.00 0.00 N ATOM 0 H LYS A 65 -7.365 -10.852 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.608 -10.430 -0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.996 -12.866 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.877 -12.984 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.291 -11.105 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.255 -12.638 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.122 -11.579 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.835 -10.066 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.167 -12.150 3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.485 -10.629 3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.472 -9.773 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.253 -9.947 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.041 -11.164 2.522 1.00 0.00 H new ATOM 943 N SER A 66 -4.197 -11.910 -2.938 1.00 0.00 N ATOM 944 CA SER A 66 -2.955 -12.116 -3.666 1.00 0.00 C ATOM 945 C SER A 66 -1.889 -11.052 -3.346 1.00 0.00 C ATOM 946 O SER A 66 -0.726 -11.373 -3.096 1.00 0.00 O ATOM 947 CB SER A 66 -3.310 -12.116 -5.166 1.00 0.00 C ATOM 948 OG SER A 66 -4.683 -12.453 -5.331 1.00 0.00 O ATOM 0 H SER A 66 -5.014 -12.070 -3.528 1.00 0.00 H new ATOM 0 HA SER A 66 -2.509 -13.064 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.111 -11.135 -5.597 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.683 -12.831 -5.699 1.00 0.00 H new ATOM 0 HG SER A 66 -5.176 -11.669 -5.651 1.00 0.00 H new ATOM 954 N TYR A 67 -2.275 -9.772 -3.367 1.00 0.00 N ATOM 955 CA TYR A 67 -1.345 -8.664 -3.199 1.00 0.00 C ATOM 956 C TYR A 67 -0.697 -8.648 -1.827 1.00 0.00 C ATOM 957 O TYR A 67 0.388 -8.080 -1.693 1.00 0.00 O ATOM 958 CB TYR A 67 -2.045 -7.317 -3.412 1.00 0.00 C ATOM 959 CG TYR A 67 -1.994 -6.839 -4.850 1.00 0.00 C ATOM 960 CD1 TYR A 67 -0.793 -6.323 -5.363 1.00 0.00 C ATOM 961 CD2 TYR A 67 -3.109 -6.986 -5.698 1.00 0.00 C ATOM 962 CE1 TYR A 67 -0.725 -5.897 -6.699 1.00 0.00 C ATOM 963 CE2 TYR A 67 -3.054 -6.514 -7.021 1.00 0.00 C ATOM 964 CZ TYR A 67 -1.882 -5.901 -7.496 1.00 0.00 C ATOM 965 OH TYR A 67 -1.846 -5.285 -8.711 1.00 0.00 O ATOM 0 H TYR A 67 -3.243 -9.481 -3.501 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.571 -8.813 -3.952 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.086 -7.403 -3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.581 -6.568 -2.770 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.079 -6.254 -4.729 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.007 -7.462 -5.332 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.216 -5.567 -7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.910 -6.622 -7.671 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.733 -4.926 -8.922 1.00 0.00 H new ATOM 975 N ILE A 68 -1.337 -9.215 -0.802 1.00 0.00 N ATOM 976 CA ILE A 68 -0.762 -9.212 0.517 1.00 0.00 C ATOM 977 C ILE A 68 0.519 -10.030 0.477 1.00 0.00 C ATOM 978 O ILE A 68 1.585 -9.552 0.866 1.00 0.00 O ATOM 979 CB ILE A 68 -1.787 -9.784 1.509 1.00 0.00 C ATOM 980 CG1 ILE A 68 -2.905 -8.784 1.793 1.00 0.00 C ATOM 981 CG2 ILE A 68 -1.142 -10.154 2.841 1.00 0.00 C ATOM 982 CD1 ILE A 68 -3.789 -8.432 0.612 1.00 0.00 C ATOM 0 H ILE A 68 -2.245 -9.675 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.514 -8.203 0.846 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.194 -10.678 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.534 -9.186 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.458 -7.866 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.900 -10.554 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.371 -10.906 2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.693 -9.266 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.548 -7.715 0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.181 -7.993 -0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.274 -9.334 0.239 1.00 0.00 H new ATOM 994 N GLN A 69 0.409 -11.253 -0.050 1.00 0.00 N ATOM 995 CA GLN A 69 1.543 -12.113 -0.268 1.00 0.00 C ATOM 996 C GLN A 69 2.563 -11.391 -1.138 1.00 0.00 C ATOM 997 O GLN A 69 3.744 -11.563 -0.896 1.00 0.00 O ATOM 998 CB GLN A 69 1.098 -13.432 -0.909 1.00 0.00 C ATOM 999 CG GLN A 69 0.477 -14.406 0.105 1.00 0.00 C ATOM 1000 CD GLN A 69 -0.816 -13.855 0.688 1.00 0.00 C ATOM 1001 OE1 GLN A 69 -0.930 -13.634 1.889 1.00 0.00 O ATOM 1002 NE2 GLN A 69 -1.775 -13.572 -0.185 1.00 0.00 N ATOM 0 H GLN A 69 -0.481 -11.663 -0.334 1.00 0.00 H new ATOM 0 HA GLN A 69 2.008 -12.353 0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.373 -13.222 -1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.956 -13.907 -1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.280 -15.362 -0.381 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.187 -14.597 0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.638 -13.772 -1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.649 -13.154 0.135 1.00 0.00 H new ATOM 1011 N LYS A 70 2.142 -10.579 -2.112 1.00 0.00 N ATOM 1012 CA LYS A 70 3.078 -9.858 -2.967 1.00 0.00 C ATOM 1013 C LYS A 70 3.854 -8.768 -2.225 1.00 0.00 C ATOM 1014 O LYS A 70 5.081 -8.771 -2.240 1.00 0.00 O ATOM 1015 CB LYS A 70 2.337 -9.283 -4.182 1.00 0.00 C ATOM 1016 CG LYS A 70 3.297 -8.954 -5.335 1.00 0.00 C ATOM 1017 CD LYS A 70 2.505 -8.508 -6.574 1.00 0.00 C ATOM 1018 CE LYS A 70 3.415 -8.225 -7.776 1.00 0.00 C ATOM 1019 NZ LYS A 70 4.153 -6.955 -7.644 1.00 0.00 N ATOM 0 H LYS A 70 1.159 -10.407 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 70 3.825 -10.576 -3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.590 -10.000 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.801 -8.381 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.985 -8.165 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.901 -9.829 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.785 -9.282 -6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.934 -7.611 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.126 -9.044 -7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.813 -8.198 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.673 -6.762 -8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.483 -6.181 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.825 -7.024 -6.853 1.00 0.00 H new ATOM 1033 N ASN A 71 3.168 -7.811 -1.596 1.00 0.00 N ATOM 1034 CA ASN A 71 3.813 -6.807 -0.765 1.00 0.00 C ATOM 1035 C ASN A 71 4.728 -7.446 0.263 1.00 0.00 C ATOM 1036 O ASN A 71 5.834 -6.963 0.484 1.00 0.00 O ATOM 1037 CB ASN A 71 2.742 -5.980 -0.053 1.00 0.00 C ATOM 1038 CG ASN A 71 2.118 -4.945 -0.972 1.00 0.00 C ATOM 1039 OD1 ASN A 71 2.404 -3.756 -0.871 1.00 0.00 O ATOM 1040 ND2 ASN A 71 1.262 -5.380 -1.889 1.00 0.00 N ATOM 0 H ASN A 71 2.154 -7.715 -1.652 1.00 0.00 H new ATOM 0 HA ASN A 71 4.420 -6.167 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.965 -6.643 0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.184 -5.480 0.809 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.824 -4.720 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.042 -6.374 -1.951 1.00 0.00 H new ATOM 1047 N ARG A 72 4.292 -8.544 0.876 1.00 0.00 N ATOM 1048 CA ARG A 72 5.167 -9.327 1.705 1.00 0.00 C ATOM 1049 C ARG A 72 6.385 -9.761 0.885 1.00 0.00 C ATOM 1050 O ARG A 72 7.497 -9.340 1.199 1.00 0.00 O ATOM 1051 CB ARG A 72 4.340 -10.471 2.297 1.00 0.00 C ATOM 1052 CG ARG A 72 3.570 -9.894 3.497 1.00 0.00 C ATOM 1053 CD ARG A 72 2.432 -10.754 4.066 1.00 0.00 C ATOM 1054 NE ARG A 72 1.736 -10.030 5.156 1.00 0.00 N ATOM 1055 CZ ARG A 72 2.278 -9.783 6.360 1.00 0.00 C ATOM 1056 NH1 ARG A 72 3.406 -10.395 6.714 1.00 0.00 N ATOM 1057 NH2 ARG A 72 1.703 -8.905 7.182 1.00 0.00 N ATOM 0 H ARG A 72 3.339 -8.900 0.807 1.00 0.00 H new ATOM 0 HA ARG A 72 5.576 -8.765 2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.651 -10.874 1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.985 -11.291 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.284 -9.701 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.154 -8.931 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.724 -11.002 3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.832 -11.695 4.443 1.00 0.00 H new ATOM 0 HE ARG A 72 0.787 -9.699 4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.855 -11.048 6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.821 -10.211 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.852 -8.421 6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.114 -8.717 8.096 1.00 0.00 H new ATOM 1071 N ASP A 73 6.168 -10.544 -0.177 1.00 0.00 N ATOM 1072 CA ASP A 73 7.201 -11.148 -1.016 1.00 0.00 C ATOM 1073 C ASP A 73 8.321 -10.164 -1.297 1.00 0.00 C ATOM 1074 O ASP A 73 9.497 -10.427 -1.033 1.00 0.00 O ATOM 1075 CB ASP A 73 6.613 -11.582 -2.370 1.00 0.00 C ATOM 1076 CG ASP A 73 7.580 -12.517 -3.066 1.00 0.00 C ATOM 1077 OD1 ASP A 73 7.991 -13.513 -2.432 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.036 -12.203 -4.188 1.00 0.00 O ATOM 0 H ASP A 73 5.226 -10.783 -0.486 1.00 0.00 H new ATOM 0 HA ASP A 73 7.589 -12.010 -0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.655 -12.079 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.424 -10.708 -2.993 1.00 0.00 H new ATOM 1083 N PHE A 74 7.883 -9.010 -1.805 1.00 0.00 N ATOM 1084 CA PHE A 74 8.697 -7.902 -2.263 1.00 0.00 C ATOM 1085 C PHE A 74 9.840 -7.586 -1.303 1.00 0.00 C ATOM 1086 O PHE A 74 10.928 -7.225 -1.746 1.00 0.00 O ATOM 1087 CB PHE A 74 7.779 -6.683 -2.450 1.00 0.00 C ATOM 1088 CG PHE A 74 7.340 -6.407 -3.876 1.00 0.00 C ATOM 1089 CD1 PHE A 74 7.086 -7.458 -4.779 1.00 0.00 C ATOM 1090 CD2 PHE A 74 7.379 -5.083 -4.346 1.00 0.00 C ATOM 1091 CE1 PHE A 74 7.007 -7.196 -6.160 1.00 0.00 C ATOM 1092 CE2 PHE A 74 7.271 -4.820 -5.717 1.00 0.00 C ATOM 1093 CZ PHE A 74 7.099 -5.873 -6.630 1.00 0.00 C ATOM 0 H PHE A 74 6.886 -8.821 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 74 9.167 -8.172 -3.208 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.890 -6.822 -1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.294 -5.801 -2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.952 -8.465 -4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.493 -4.267 -3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.876 -8.010 -6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.320 -3.802 -6.074 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.038 -5.668 -7.689 1.00 0.00 H new ATOM 1103 N PHE A 75 9.586 -7.696 0.002 1.00 0.00 N ATOM 1104 CA PHE A 75 10.528 -7.295 1.029 1.00 0.00 C ATOM 1105 C PHE A 75 10.875 -8.455 1.960 1.00 0.00 C ATOM 1106 O PHE A 75 11.300 -8.229 3.092 1.00 0.00 O ATOM 1107 CB PHE A 75 9.890 -6.134 1.785 1.00 0.00 C ATOM 1108 CG PHE A 75 9.435 -4.991 0.895 1.00 0.00 C ATOM 1109 CD1 PHE A 75 10.359 -4.327 0.068 1.00 0.00 C ATOM 1110 CD2 PHE A 75 8.060 -4.732 0.751 1.00 0.00 C ATOM 1111 CE1 PHE A 75 9.905 -3.459 -0.939 1.00 0.00 C ATOM 1112 CE2 PHE A 75 7.604 -3.868 -0.256 1.00 0.00 C ATOM 1113 CZ PHE A 75 8.526 -3.251 -1.116 1.00 0.00 C ATOM 0 H PHE A 75 8.712 -8.070 0.371 1.00 0.00 H new ATOM 0 HA PHE A 75 11.473 -6.986 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.033 -6.507 2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 75 10.606 -5.751 2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.418 -4.485 0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.352 -5.200 1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.614 -2.952 -1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.547 -3.678 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.175 -2.615 -1.915 1.00 0.00 H new