USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 357 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 55 TYR OH : rot -156:sc= 1.25 USER MOD Set 1.2: A 70 HIS : no HE2:sc= 0.858 K(o=2.1,f=-6!) USER MOD Set 2.1: A 45 GLN : amide:sc= 0.687 K(o=2.3,f=-3.6!) USER MOD Set 2.2: A 46 HIS : no HD1:sc= 0.887 K(o=2.3,f=-7.8!) USER MOD Set 2.3: A 73 GLN : amide:sc= 0.697 K(o=2.3,f=-4.2) USER MOD Single : A 31 SER OG : rot -77:sc= 1 USER MOD Single : A 33 SER OG : rot -82:sc= 1.26 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0747) USER MOD Single : A 35 SER OG : rot -39:sc= 0.644 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.39) USER MOD Single : A 49 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 50 ASN : amide:sc= 0.338 K(o=0.34,f=-4.1!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.419 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 1.88 K(o=1.9,f=-0.68) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00152 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 -3.610 12.319 3.590 1.00 0.00 N ATOM 2 CA ALA A 23 -4.376 13.575 3.534 1.00 0.00 C ATOM 3 C ALA A 23 -5.778 13.332 4.095 1.00 0.00 C ATOM 4 O ALA A 23 -5.909 12.496 4.987 1.00 0.00 O ATOM 5 CB ALA A 23 -4.384 14.133 2.104 1.00 0.00 C ATOM 0 HA ALA A 23 -3.904 14.338 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.954 15.062 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.360 14.327 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.843 13.407 1.433 1.00 0.00 H new ATOM 13 N VAL A 24 -6.803 14.036 3.605 1.00 0.00 N ATOM 14 CA VAL A 24 -8.181 13.807 4.025 1.00 0.00 C ATOM 15 C VAL A 24 -8.600 12.387 3.610 1.00 0.00 C ATOM 16 O VAL A 24 -7.906 11.739 2.826 1.00 0.00 O ATOM 17 CB VAL A 24 -9.080 14.923 3.453 1.00 0.00 C ATOM 18 CG1 VAL A 24 -9.188 14.880 1.923 1.00 0.00 C ATOM 19 CG2 VAL A 24 -10.490 14.923 4.060 1.00 0.00 C ATOM 0 H VAL A 24 -6.698 14.775 2.910 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.286 13.857 5.109 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.580 15.849 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.833 15.689 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.197 14.996 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.611 13.924 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.076 15.730 3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.975 13.968 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.422 15.071 5.138 1.00 0.00 H new ATOM 29 N ASP A 25 -9.720 11.888 4.135 1.00 0.00 N ATOM 30 CA ASP A 25 -10.203 10.546 3.833 1.00 0.00 C ATOM 31 C ASP A 25 -10.802 10.463 2.424 1.00 0.00 C ATOM 32 O ASP A 25 -12.013 10.306 2.275 1.00 0.00 O ATOM 33 CB ASP A 25 -11.213 10.117 4.907 1.00 0.00 C ATOM 34 CG ASP A 25 -11.625 8.648 4.801 1.00 0.00 C ATOM 35 OD1 ASP A 25 -11.098 7.944 3.912 1.00 0.00 O ATOM 36 OD2 ASP A 25 -12.440 8.242 5.656 1.00 0.00 O ATOM 0 H ASP A 25 -10.316 12.405 4.781 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.360 9.856 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.782 10.296 5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.102 10.743 4.830 1.00 0.00 H new ATOM 41 N LEU A 26 -9.962 10.603 1.395 1.00 0.00 N ATOM 42 CA LEU A 26 -10.348 10.415 0.000 1.00 0.00 C ATOM 43 C LEU A 26 -9.823 9.061 -0.478 1.00 0.00 C ATOM 44 O LEU A 26 -9.115 8.367 0.252 1.00 0.00 O ATOM 45 CB LEU A 26 -9.925 11.597 -0.895 1.00 0.00 C ATOM 46 CG LEU A 26 -8.459 11.649 -1.365 1.00 0.00 C ATOM 47 CD1 LEU A 26 -8.318 12.749 -2.424 1.00 0.00 C ATOM 48 CD2 LEU A 26 -7.486 11.950 -0.225 1.00 0.00 C ATOM 0 H LEU A 26 -8.980 10.854 1.513 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.435 10.403 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.561 11.592 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.137 12.520 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.210 10.667 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.284 12.796 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.969 12.526 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.601 13.709 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.468 11.975 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.730 12.916 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.566 11.174 0.536 1.00 0.00 H new ATOM 60 N ASP A 27 -10.153 8.672 -1.712 1.00 0.00 N ATOM 61 CA ASP A 27 -9.758 7.413 -2.310 1.00 0.00 C ATOM 62 C ASP A 27 -8.288 7.479 -2.742 1.00 0.00 C ATOM 63 O ASP A 27 -7.962 7.422 -3.929 1.00 0.00 O ATOM 64 CB ASP A 27 -10.749 7.096 -3.440 1.00 0.00 C ATOM 65 CG ASP A 27 -10.715 8.103 -4.595 1.00 0.00 C ATOM 66 OD1 ASP A 27 -10.779 9.316 -4.291 1.00 0.00 O ATOM 67 OD2 ASP A 27 -10.655 7.649 -5.758 1.00 0.00 O ATOM 0 H ASP A 27 -10.720 9.248 -2.334 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.806 6.586 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.533 6.102 -3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.758 7.065 -3.028 1.00 0.00 H new ATOM 72 N GLU A 28 -7.395 7.605 -1.757 1.00 0.00 N ATOM 73 CA GLU A 28 -5.962 7.705 -1.975 1.00 0.00 C ATOM 74 C GLU A 28 -5.442 6.518 -2.768 1.00 0.00 C ATOM 75 O GLU A 28 -4.849 6.718 -3.821 1.00 0.00 O ATOM 76 CB GLU A 28 -5.193 7.836 -0.655 1.00 0.00 C ATOM 77 CG GLU A 28 -5.361 9.239 -0.050 1.00 0.00 C ATOM 78 CD GLU A 28 -4.105 9.776 0.638 1.00 0.00 C ATOM 79 OE1 GLU A 28 -2.993 9.486 0.142 1.00 0.00 O ATOM 80 OE2 GLU A 28 -4.275 10.509 1.639 1.00 0.00 O ATOM 0 H GLU A 28 -7.658 7.640 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.793 8.612 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.549 7.087 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.135 7.635 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.654 9.931 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.177 9.216 0.673 1.00 0.00 H new ATOM 87 N CYS A 29 -5.648 5.290 -2.287 1.00 0.00 N ATOM 88 CA CYS A 29 -5.126 4.136 -3.015 1.00 0.00 C ATOM 89 C CYS A 29 -5.656 4.100 -4.445 1.00 0.00 C ATOM 90 O CYS A 29 -4.891 3.902 -5.384 1.00 0.00 O ATOM 91 CB CYS A 29 -5.424 2.824 -2.294 1.00 0.00 C ATOM 92 SG CYS A 29 -5.206 1.364 -3.348 1.00 0.00 S ATOM 0 H CYS A 29 -6.154 5.074 -1.428 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.043 4.248 -3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.771 2.738 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.448 2.846 -1.922 1.00 0.00 H new ATOM 97 N ALA A 30 -6.965 4.313 -4.602 1.00 0.00 N ATOM 98 CA ALA A 30 -7.632 4.319 -5.895 1.00 0.00 C ATOM 99 C ALA A 30 -6.942 5.293 -6.850 1.00 0.00 C ATOM 100 O ALA A 30 -6.442 4.892 -7.899 1.00 0.00 O ATOM 101 CB ALA A 30 -9.097 4.711 -5.696 1.00 0.00 C ATOM 0 H ALA A 30 -7.595 4.488 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.578 3.324 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.606 4.718 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.580 3.990 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.151 5.704 -5.250 1.00 0.00 H new ATOM 107 N SER A 31 -6.909 6.575 -6.480 1.00 0.00 N ATOM 108 CA SER A 31 -6.290 7.607 -7.299 1.00 0.00 C ATOM 109 C SER A 31 -4.816 7.277 -7.553 1.00 0.00 C ATOM 110 O SER A 31 -4.357 7.291 -8.695 1.00 0.00 O ATOM 111 CB SER A 31 -6.482 8.980 -6.643 1.00 0.00 C ATOM 112 OG SER A 31 -6.070 8.971 -5.290 1.00 0.00 O ATOM 0 H SER A 31 -7.310 6.921 -5.608 1.00 0.00 H new ATOM 0 HA SER A 31 -6.777 7.642 -8.274 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.913 9.730 -7.193 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.531 9.269 -6.703 1.00 0.00 H new ATOM 0 HG SER A 31 -6.757 8.537 -4.742 1.00 0.00 H new ATOM 118 N ARG A 32 -4.079 6.929 -6.497 1.00 0.00 N ATOM 119 CA ARG A 32 -2.663 6.587 -6.552 1.00 0.00 C ATOM 120 C ARG A 32 -2.464 5.150 -7.057 1.00 0.00 C ATOM 121 O ARG A 32 -1.741 4.359 -6.452 1.00 0.00 O ATOM 122 CB ARG A 32 -2.018 6.839 -5.177 1.00 0.00 C ATOM 123 CG ARG A 32 -2.171 8.315 -4.762 1.00 0.00 C ATOM 124 CD ARG A 32 -1.784 8.569 -3.302 1.00 0.00 C ATOM 125 NE ARG A 32 -0.372 8.259 -3.044 1.00 0.00 N ATOM 126 CZ ARG A 32 0.271 8.550 -1.904 1.00 0.00 C ATOM 127 NH1 ARG A 32 -0.382 9.076 -0.860 1.00 0.00 N ATOM 128 NH2 ARG A 32 1.584 8.314 -1.817 1.00 0.00 N ATOM 0 H ARG A 32 -4.465 6.877 -5.554 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.157 7.230 -7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.483 6.196 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.961 6.574 -5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.551 8.935 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.204 8.625 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.977 9.612 -3.052 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.413 7.963 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 32 0.155 7.791 -3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.383 9.261 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.122 9.292 0.000 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.085 7.917 -2.612 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.085 8.531 -0.955 1.00 0.00 H new ATOM 142 N SER A 33 -3.098 4.830 -8.188 1.00 0.00 N ATOM 143 CA SER A 33 -3.000 3.571 -8.911 1.00 0.00 C ATOM 144 C SER A 33 -3.712 3.756 -10.247 1.00 0.00 C ATOM 145 O SER A 33 -3.067 3.730 -11.296 1.00 0.00 O ATOM 146 CB SER A 33 -3.563 2.386 -8.118 1.00 0.00 C ATOM 147 OG SER A 33 -4.906 2.588 -7.735 1.00 0.00 O ATOM 0 H SER A 33 -3.730 5.486 -8.646 1.00 0.00 H new ATOM 0 HA SER A 33 -1.951 3.323 -9.072 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.492 1.481 -8.721 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.954 2.225 -7.228 1.00 0.00 H new ATOM 0 HG SER A 33 -4.936 3.134 -6.921 1.00 0.00 H new ATOM 153 N LYS A 34 -5.025 4.014 -10.200 1.00 0.00 N ATOM 154 CA LYS A 34 -5.890 4.248 -11.352 1.00 0.00 C ATOM 155 C LYS A 34 -5.450 5.524 -12.081 1.00 0.00 C ATOM 156 O LYS A 34 -6.061 6.583 -11.957 1.00 0.00 O ATOM 157 CB LYS A 34 -7.352 4.301 -10.882 1.00 0.00 C ATOM 158 CG LYS A 34 -8.345 4.312 -12.051 1.00 0.00 C ATOM 159 CD LYS A 34 -9.781 4.344 -11.510 1.00 0.00 C ATOM 160 CE LYS A 34 -10.818 4.312 -12.639 1.00 0.00 C ATOM 161 NZ LYS A 34 -10.736 5.507 -13.499 1.00 0.00 N ATOM 0 H LYS A 34 -5.531 4.067 -9.316 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.807 3.431 -12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.556 3.441 -10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.502 5.193 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.166 5.180 -12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.200 3.428 -12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.939 3.493 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.924 5.244 -10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.667 3.418 -13.245 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.818 4.241 -12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.517 5.495 -14.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.804 6.363 -12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.829 5.507 -14.007 1.00 0.00 H new ATOM 175 N SER A 35 -4.373 5.403 -12.852 1.00 0.00 N ATOM 176 CA SER A 35 -3.724 6.484 -13.569 1.00 0.00 C ATOM 177 C SER A 35 -2.938 5.878 -14.727 1.00 0.00 C ATOM 178 O SER A 35 -3.286 6.024 -15.898 1.00 0.00 O ATOM 179 CB SER A 35 -2.821 7.228 -12.573 1.00 0.00 C ATOM 180 OG SER A 35 -1.982 6.314 -11.879 1.00 0.00 O ATOM 0 H SER A 35 -3.912 4.505 -12.997 1.00 0.00 H new ATOM 0 HA SER A 35 -4.435 7.198 -13.985 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.211 7.959 -13.103 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.434 7.780 -11.861 1.00 0.00 H new ATOM 0 HG SER A 35 -2.488 5.502 -11.667 1.00 0.00 H new ATOM 186 N GLY A 36 -1.882 5.161 -14.361 1.00 0.00 N ATOM 187 CA GLY A 36 -0.993 4.452 -15.262 1.00 0.00 C ATOM 188 C GLY A 36 -1.721 3.287 -15.925 1.00 0.00 C ATOM 189 O GLY A 36 -1.548 2.140 -15.523 1.00 0.00 O ATOM 0 H GLY A 36 -1.613 5.056 -13.383 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.618 5.135 -16.024 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.128 4.082 -14.712 1.00 0.00 H new ATOM 193 N GLU A 37 -2.542 3.594 -16.936 1.00 0.00 N ATOM 194 CA GLU A 37 -3.304 2.639 -17.737 1.00 0.00 C ATOM 195 C GLU A 37 -2.499 1.371 -18.055 1.00 0.00 C ATOM 196 O GLU A 37 -3.028 0.262 -17.991 1.00 0.00 O ATOM 197 CB GLU A 37 -3.851 3.326 -19.002 1.00 0.00 C ATOM 198 CG GLU A 37 -2.807 3.722 -20.063 1.00 0.00 C ATOM 199 CD GLU A 37 -1.733 4.669 -19.536 1.00 0.00 C ATOM 200 OE1 GLU A 37 -2.034 5.878 -19.445 1.00 0.00 O ATOM 201 OE2 GLU A 37 -0.641 4.157 -19.202 1.00 0.00 O ATOM 0 H GLU A 37 -2.698 4.559 -17.228 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.155 2.302 -17.145 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.577 2.660 -19.467 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.390 4.224 -18.699 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.329 2.820 -20.445 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.316 4.194 -20.904 1.00 0.00 H new ATOM 208 N GLU A 38 -1.217 1.532 -18.395 1.00 0.00 N ATOM 209 CA GLU A 38 -0.305 0.428 -18.631 1.00 0.00 C ATOM 210 C GLU A 38 0.043 -0.210 -17.278 1.00 0.00 C ATOM 211 O GLU A 38 1.128 0.005 -16.746 1.00 0.00 O ATOM 212 CB GLU A 38 0.922 0.948 -19.393 1.00 0.00 C ATOM 213 CG GLU A 38 1.820 -0.193 -19.891 1.00 0.00 C ATOM 214 CD GLU A 38 2.985 0.346 -20.714 1.00 0.00 C ATOM 215 OE1 GLU A 38 2.747 0.640 -21.906 1.00 0.00 O ATOM 216 OE2 GLU A 38 4.088 0.460 -20.138 1.00 0.00 O ATOM 0 H GLU A 38 -0.785 2.448 -18.514 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.755 -0.347 -19.251 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.593 1.547 -20.242 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.499 1.606 -18.743 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.202 -0.757 -19.040 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.233 -0.885 -20.495 1.00 0.00 H new ATOM 223 N ASP A 39 -0.901 -0.993 -16.745 1.00 0.00 N ATOM 224 CA ASP A 39 -0.836 -1.709 -15.474 1.00 0.00 C ATOM 225 C ASP A 39 -0.936 -0.746 -14.280 1.00 0.00 C ATOM 226 O ASP A 39 0.081 -0.428 -13.662 1.00 0.00 O ATOM 227 CB ASP A 39 0.404 -2.619 -15.382 1.00 0.00 C ATOM 228 CG ASP A 39 0.427 -3.445 -14.095 1.00 0.00 C ATOM 229 OD1 ASP A 39 -0.651 -3.593 -13.476 1.00 0.00 O ATOM 230 OD2 ASP A 39 1.529 -3.923 -13.749 1.00 0.00 O ATOM 0 H ASP A 39 -1.787 -1.151 -17.224 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.704 -2.366 -15.432 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.424 -3.289 -16.241 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.305 -2.007 -15.434 1.00 0.00 H new ATOM 235 N PRO A 40 -2.151 -0.313 -13.902 1.00 0.00 N ATOM 236 CA PRO A 40 -2.356 0.587 -12.778 1.00 0.00 C ATOM 237 C PRO A 40 -2.222 -0.197 -11.467 1.00 0.00 C ATOM 238 O PRO A 40 -3.209 -0.449 -10.777 1.00 0.00 O ATOM 239 CB PRO A 40 -3.759 1.166 -12.994 1.00 0.00 C ATOM 240 CG PRO A 40 -4.501 0.030 -13.695 1.00 0.00 C ATOM 241 CD PRO A 40 -3.414 -0.599 -14.566 1.00 0.00 C ATOM 0 HA PRO A 40 -1.622 1.391 -12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.233 1.435 -12.050 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.733 2.068 -13.606 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.912 -0.685 -12.982 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.334 0.399 -14.292 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.568 -1.674 -14.666 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.429 -0.180 -15.572 1.00 0.00 H new ATOM 249 N GLN A 41 -0.992 -0.599 -11.130 1.00 0.00 N ATOM 250 CA GLN A 41 -0.699 -1.372 -9.929 1.00 0.00 C ATOM 251 C GLN A 41 -1.299 -0.697 -8.686 1.00 0.00 C ATOM 252 O GLN A 41 -1.213 0.525 -8.559 1.00 0.00 O ATOM 253 CB GLN A 41 0.817 -1.547 -9.763 1.00 0.00 C ATOM 254 CG GLN A 41 1.441 -2.335 -10.921 1.00 0.00 C ATOM 255 CD GLN A 41 2.923 -2.604 -10.683 1.00 0.00 C ATOM 256 OE1 GLN A 41 3.784 -1.997 -11.308 1.00 0.00 O ATOM 257 NE2 GLN A 41 3.238 -3.513 -9.764 1.00 0.00 N ATOM 0 H GLN A 41 -0.167 -0.392 -11.692 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.155 -2.356 -10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.289 -0.567 -9.697 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.021 -2.062 -8.824 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.914 -3.281 -11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.316 -1.778 -11.850 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.501 -4.004 -9.258 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.217 -3.719 -9.565 1.00 0.00 H new ATOM 266 N PRO A 42 -1.910 -1.462 -7.765 1.00 0.00 N ATOM 267 CA PRO A 42 -2.512 -0.905 -6.566 1.00 0.00 C ATOM 268 C PRO A 42 -1.435 -0.281 -5.676 1.00 0.00 C ATOM 269 O PRO A 42 -0.289 -0.726 -5.670 1.00 0.00 O ATOM 270 CB PRO A 42 -3.221 -2.078 -5.882 1.00 0.00 C ATOM 271 CG PRO A 42 -2.402 -3.288 -6.331 1.00 0.00 C ATOM 272 CD PRO A 42 -2.000 -2.914 -7.757 1.00 0.00 C ATOM 0 HA PRO A 42 -3.219 -0.105 -6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.221 -1.972 -4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.262 -2.157 -6.195 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.532 -3.447 -5.694 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.989 -4.206 -6.304 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.047 -3.368 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.738 -3.266 -8.478 1.00 0.00 H new ATOM 280 N GLN A 43 -1.814 0.747 -4.910 1.00 0.00 N ATOM 281 CA GLN A 43 -0.910 1.462 -4.016 1.00 0.00 C ATOM 282 C GLN A 43 -0.239 0.504 -3.024 1.00 0.00 C ATOM 283 O GLN A 43 0.923 0.688 -2.668 1.00 0.00 O ATOM 284 CB GLN A 43 -1.717 2.539 -3.286 1.00 0.00 C ATOM 285 CG GLN A 43 -0.839 3.540 -2.526 1.00 0.00 C ATOM 286 CD GLN A 43 -1.682 4.403 -1.594 1.00 0.00 C ATOM 287 OE1 GLN A 43 -2.504 3.891 -0.843 1.00 0.00 O ATOM 288 NE2 GLN A 43 -1.502 5.717 -1.620 1.00 0.00 N ATOM 0 H GLN A 43 -2.768 1.107 -4.896 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.110 1.926 -4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.329 3.078 -4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.400 2.059 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.085 3.004 -1.950 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.307 4.175 -3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.813 6.125 -2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.053 6.319 -1.008 1.00 0.00 H new ATOM 297 N CYS A 44 -0.989 -0.498 -2.561 1.00 0.00 N ATOM 298 CA CYS A 44 -0.537 -1.529 -1.641 1.00 0.00 C ATOM 299 C CYS A 44 -0.610 -2.848 -2.397 1.00 0.00 C ATOM 300 O CYS A 44 -1.589 -3.084 -3.101 1.00 0.00 O ATOM 301 CB CYS A 44 -1.417 -1.541 -0.392 1.00 0.00 C ATOM 302 SG CYS A 44 -1.213 -0.088 0.667 1.00 0.00 S ATOM 0 H CYS A 44 -1.966 -0.613 -2.831 1.00 0.00 H new ATOM 0 HA CYS A 44 0.483 -1.349 -1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.461 -1.612 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.193 -2.436 0.189 1.00 0.00 H new ATOM 307 N GLN A 45 0.413 -3.692 -2.245 1.00 0.00 N ATOM 308 CA GLN A 45 0.610 -4.936 -2.967 1.00 0.00 C ATOM 309 C GLN A 45 -0.662 -5.751 -3.227 1.00 0.00 C ATOM 310 O GLN A 45 -0.926 -6.127 -4.366 1.00 0.00 O ATOM 311 CB GLN A 45 1.637 -5.767 -2.189 1.00 0.00 C ATOM 312 CG GLN A 45 2.356 -6.754 -3.105 1.00 0.00 C ATOM 313 CD GLN A 45 3.190 -7.738 -2.291 1.00 0.00 C ATOM 314 OE1 GLN A 45 2.877 -8.924 -2.228 1.00 0.00 O ATOM 315 NE2 GLN A 45 4.232 -7.233 -1.637 1.00 0.00 N ATOM 0 H GLN A 45 1.162 -3.510 -1.577 1.00 0.00 H new ATOM 0 HA GLN A 45 0.963 -4.677 -3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.365 -5.105 -1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.137 -6.309 -1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.627 -7.298 -3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.999 -6.212 -3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.454 -6.241 -1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.809 -7.838 -1.053 1.00 0.00 H new ATOM 324 N HIS A 46 -1.399 -6.087 -2.164 1.00 0.00 N ATOM 325 CA HIS A 46 -2.565 -6.960 -2.248 1.00 0.00 C ATOM 326 C HIS A 46 -3.859 -6.167 -2.346 1.00 0.00 C ATOM 327 O HIS A 46 -4.463 -6.114 -3.415 1.00 0.00 O ATOM 328 CB HIS A 46 -2.578 -7.920 -1.057 1.00 0.00 C ATOM 329 CG HIS A 46 -1.434 -8.902 -1.028 1.00 0.00 C ATOM 330 ND1 HIS A 46 -1.294 -9.821 0.013 1.00 0.00 N ATOM 331 CD2 HIS A 46 -0.387 -9.058 -1.897 1.00 0.00 C ATOM 332 CE1 HIS A 46 -0.148 -10.459 -0.254 1.00 0.00 C ATOM 333 NE2 HIS A 46 0.459 -10.000 -1.358 1.00 0.00 N ATOM 0 H HIS A 46 -1.200 -5.758 -1.219 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.493 -7.545 -3.165 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.561 -7.336 -0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.516 -8.475 -1.065 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.250 -8.537 -2.833 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.246 -11.259 0.355 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.365 -10.291 -1.725 1.00 0.00 H new ATOM 341 N LEU A 47 -4.311 -5.584 -1.233 1.00 0.00 N ATOM 342 CA LEU A 47 -5.591 -4.894 -1.204 1.00 0.00 C ATOM 343 C LEU A 47 -5.553 -3.720 -0.230 1.00 0.00 C ATOM 344 O LEU A 47 -5.103 -3.851 0.910 1.00 0.00 O ATOM 345 CB LEU A 47 -6.714 -5.907 -0.927 1.00 0.00 C ATOM 346 CG LEU A 47 -6.467 -6.838 0.278 1.00 0.00 C ATOM 347 CD1 LEU A 47 -7.270 -6.372 1.489 1.00 0.00 C ATOM 348 CD2 LEU A 47 -6.874 -8.276 -0.064 1.00 0.00 C ATOM 0 H LEU A 47 -3.807 -5.579 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.804 -4.451 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.643 -5.361 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.859 -6.519 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.403 -6.806 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.083 -7.041 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.969 -5.359 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.333 -6.382 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.693 -8.920 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.933 -8.303 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.286 -8.629 -0.911 1.00 0.00 H new ATOM 360 N CYS A 48 -5.993 -2.552 -0.706 1.00 0.00 N ATOM 361 CA CYS A 48 -5.982 -1.330 0.076 1.00 0.00 C ATOM 362 C CYS A 48 -7.308 -1.099 0.783 1.00 0.00 C ATOM 363 O CYS A 48 -8.291 -1.792 0.535 1.00 0.00 O ATOM 364 CB CYS A 48 -5.773 -0.093 -0.799 1.00 0.00 C ATOM 365 SG CYS A 48 -4.471 -0.072 -2.040 1.00 0.00 S ATOM 0 H CYS A 48 -6.366 -2.435 -1.648 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.165 -1.460 0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.714 0.101 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.596 0.750 -0.131 1.00 0.00 H new ATOM 370 N HIS A 49 -7.316 -0.051 1.605 1.00 0.00 N ATOM 371 CA HIS A 49 -8.477 0.535 2.240 1.00 0.00 C ATOM 372 C HIS A 49 -8.074 1.974 2.538 1.00 0.00 C ATOM 373 O HIS A 49 -6.895 2.247 2.776 1.00 0.00 O ATOM 374 CB HIS A 49 -8.849 -0.150 3.542 1.00 0.00 C ATOM 375 CG HIS A 49 -9.174 -1.616 3.450 1.00 0.00 C ATOM 376 ND1 HIS A 49 -10.469 -2.052 3.180 1.00 0.00 N ATOM 377 CD2 HIS A 49 -8.360 -2.707 3.613 1.00 0.00 C ATOM 378 CE1 HIS A 49 -10.379 -3.383 3.144 1.00 0.00 C ATOM 379 NE2 HIS A 49 -9.137 -3.827 3.397 1.00 0.00 N ATOM 0 H HIS A 49 -6.455 0.435 1.855 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.346 0.442 1.589 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.024 -0.025 4.243 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -9.710 0.366 3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.309 -2.693 3.863 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -11.215 -4.033 2.934 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.829 -4.799 3.424 1.00 0.00 H new ATOM 387 N ASN A 50 -9.052 2.872 2.534 1.00 0.00 N ATOM 388 CA ASN A 50 -8.872 4.308 2.730 1.00 0.00 C ATOM 389 C ASN A 50 -9.498 4.690 4.071 1.00 0.00 C ATOM 390 O ASN A 50 -10.439 4.022 4.497 1.00 0.00 O ATOM 391 CB ASN A 50 -9.460 5.099 1.555 1.00 0.00 C ATOM 392 CG ASN A 50 -8.781 4.753 0.227 1.00 0.00 C ATOM 393 OD1 ASN A 50 -7.643 5.131 -0.049 1.00 0.00 O ATOM 394 ND2 ASN A 50 -9.485 4.015 -0.625 1.00 0.00 N ATOM 0 H ASN A 50 -10.028 2.612 2.389 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.812 4.560 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.528 4.894 1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.353 6.166 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.083 3.753 -1.525 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.427 3.711 -0.379 1.00 0.00 H new ATOM 401 N TYR A 51 -8.970 5.711 4.754 1.00 0.00 N ATOM 402 CA TYR A 51 -9.466 6.157 6.055 1.00 0.00 C ATOM 403 C TYR A 51 -8.923 7.547 6.395 1.00 0.00 C ATOM 404 O TYR A 51 -8.229 8.169 5.593 1.00 0.00 O ATOM 405 CB TYR A 51 -9.144 5.138 7.168 1.00 0.00 C ATOM 406 CG TYR A 51 -7.720 5.063 7.705 1.00 0.00 C ATOM 407 CD1 TYR A 51 -6.623 5.589 6.996 1.00 0.00 C ATOM 408 CD2 TYR A 51 -7.503 4.484 8.970 1.00 0.00 C ATOM 409 CE1 TYR A 51 -5.352 5.642 7.589 1.00 0.00 C ATOM 410 CE2 TYR A 51 -6.219 4.490 9.543 1.00 0.00 C ATOM 411 CZ TYR A 51 -5.149 5.094 8.864 1.00 0.00 C ATOM 412 OH TYR A 51 -3.907 5.115 9.426 1.00 0.00 O ATOM 0 H TYR A 51 -8.178 6.255 4.413 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.552 6.226 5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.803 5.349 8.010 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.409 4.148 6.796 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.761 5.954 5.989 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.327 4.033 9.503 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.530 6.105 7.063 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.056 4.030 10.506 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.941 4.696 10.311 1.00 0.00 H new ATOM 422 N VAL A 52 -9.208 8.034 7.601 1.00 0.00 N ATOM 423 CA VAL A 52 -8.696 9.316 8.060 1.00 0.00 C ATOM 424 C VAL A 52 -7.175 9.281 8.099 1.00 0.00 C ATOM 425 O VAL A 52 -6.578 8.280 8.483 1.00 0.00 O ATOM 426 CB VAL A 52 -9.311 9.705 9.405 1.00 0.00 C ATOM 427 CG1 VAL A 52 -10.804 9.898 9.161 1.00 0.00 C ATOM 428 CG2 VAL A 52 -9.066 8.675 10.515 1.00 0.00 C ATOM 0 H VAL A 52 -9.796 7.552 8.281 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.989 10.093 7.355 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.835 10.617 9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.292 10.178 10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.953 10.686 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.235 8.968 8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.531 9.018 11.439 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.499 7.718 10.225 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.994 8.556 10.671 1.00 0.00 H new ATOM 438 N GLY A 53 -6.550 10.366 7.647 1.00 0.00 N ATOM 439 CA GLY A 53 -5.112 10.409 7.478 1.00 0.00 C ATOM 440 C GLY A 53 -4.773 9.986 6.049 1.00 0.00 C ATOM 441 O GLY A 53 -3.747 10.421 5.523 1.00 0.00 O ATOM 0 H GLY A 53 -7.028 11.230 7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.739 11.414 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.628 9.745 8.194 1.00 0.00 H new ATOM 445 N GLY A 54 -5.635 9.195 5.392 1.00 0.00 N ATOM 446 CA GLY A 54 -5.418 8.782 4.011 1.00 0.00 C ATOM 447 C GLY A 54 -5.843 7.347 3.753 1.00 0.00 C ATOM 448 O GLY A 54 -6.942 7.080 3.272 1.00 0.00 O ATOM 0 H GLY A 54 -6.493 8.830 5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.972 9.445 3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.362 8.893 3.765 1.00 0.00 H new ATOM 452 N TYR A 55 -4.945 6.414 4.055 1.00 0.00 N ATOM 453 CA TYR A 55 -5.166 4.998 3.807 1.00 0.00 C ATOM 454 C TYR A 55 -4.428 4.104 4.783 1.00 0.00 C ATOM 455 O TYR A 55 -3.446 4.520 5.397 1.00 0.00 O ATOM 456 CB TYR A 55 -4.753 4.647 2.373 1.00 0.00 C ATOM 457 CG TYR A 55 -3.285 4.896 2.079 1.00 0.00 C ATOM 458 CD1 TYR A 55 -2.852 6.177 1.697 1.00 0.00 C ATOM 459 CD2 TYR A 55 -2.341 3.867 2.264 1.00 0.00 C ATOM 460 CE1 TYR A 55 -1.491 6.419 1.455 1.00 0.00 C ATOM 461 CE2 TYR A 55 -0.981 4.101 1.995 1.00 0.00 C ATOM 462 CZ TYR A 55 -0.562 5.369 1.561 1.00 0.00 C ATOM 463 OH TYR A 55 0.738 5.571 1.206 1.00 0.00 O ATOM 0 H TYR A 55 -4.041 6.622 4.480 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.231 4.817 3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.978 3.597 2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.357 5.230 1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.569 6.978 1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.662 2.897 2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.158 7.411 1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.260 3.307 2.122 1.00 0.00 H new ATOM 0 HH TYR A 55 1.150 4.713 0.971 1.00 0.00 H new ATOM 473 N PHE A 56 -4.928 2.873 4.899 1.00 0.00 N ATOM 474 CA PHE A 56 -4.320 1.825 5.718 1.00 0.00 C ATOM 475 C PHE A 56 -3.763 0.705 4.853 1.00 0.00 C ATOM 476 O PHE A 56 -2.555 0.646 4.645 1.00 0.00 O ATOM 477 CB PHE A 56 -5.238 1.337 6.845 1.00 0.00 C ATOM 478 CG PHE A 56 -6.634 0.839 6.531 1.00 0.00 C ATOM 479 CD1 PHE A 56 -7.668 1.767 6.302 1.00 0.00 C ATOM 480 CD2 PHE A 56 -6.953 -0.510 6.780 1.00 0.00 C ATOM 481 CE1 PHE A 56 -9.011 1.356 6.360 1.00 0.00 C ATOM 482 CE2 PHE A 56 -8.295 -0.922 6.825 1.00 0.00 C ATOM 483 CZ PHE A 56 -9.326 0.017 6.649 1.00 0.00 C ATOM 0 H PHE A 56 -5.777 2.573 4.421 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.469 2.269 6.235 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.716 0.531 7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.340 2.157 7.556 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.429 2.797 6.081 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.163 -1.230 6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.802 2.070 6.182 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.535 -1.961 6.995 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.358 -0.290 6.736 1.00 0.00 H new ATOM 493 N CYS A 57 -4.657 -0.155 4.366 1.00 0.00 N ATOM 494 CA CYS A 57 -4.424 -1.320 3.524 1.00 0.00 C ATOM 495 C CYS A 57 -4.365 -2.581 4.372 1.00 0.00 C ATOM 496 O CYS A 57 -4.311 -2.518 5.599 1.00 0.00 O ATOM 497 CB CYS A 57 -3.187 -1.218 2.615 1.00 0.00 C ATOM 498 SG CYS A 57 -3.095 0.184 1.483 1.00 0.00 S ATOM 0 H CYS A 57 -5.650 -0.041 4.571 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.275 -1.366 2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.303 -1.194 3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.129 -2.132 2.024 1.00 0.00 H new ATOM 503 N SER A 58 -4.432 -3.735 3.711 1.00 0.00 N ATOM 504 CA SER A 58 -4.302 -5.032 4.342 1.00 0.00 C ATOM 505 C SER A 58 -3.676 -5.969 3.320 1.00 0.00 C ATOM 506 O SER A 58 -3.143 -5.522 2.302 1.00 0.00 O ATOM 507 CB SER A 58 -5.650 -5.527 4.881 1.00 0.00 C ATOM 508 OG SER A 58 -5.503 -6.724 5.624 1.00 0.00 O ATOM 0 H SER A 58 -4.581 -3.788 2.703 1.00 0.00 H new ATOM 0 HA SER A 58 -3.656 -4.982 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.095 -4.758 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.336 -5.695 4.051 1.00 0.00 H new ATOM 0 HG SER A 58 -6.379 -7.013 5.955 1.00 0.00 H new ATOM 514 N CYS A 59 -3.753 -7.268 3.592 1.00 0.00 N ATOM 515 CA CYS A 59 -3.076 -8.272 2.791 1.00 0.00 C ATOM 516 C CYS A 59 -3.847 -9.579 2.746 1.00 0.00 C ATOM 517 O CYS A 59 -4.777 -9.795 3.521 1.00 0.00 O ATOM 518 CB CYS A 59 -1.689 -8.543 3.389 1.00 0.00 C ATOM 519 SG CYS A 59 -0.588 -7.120 3.554 1.00 0.00 S ATOM 0 H CYS A 59 -4.286 -7.650 4.373 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.998 -7.886 1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.824 -8.986 4.376 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.191 -9.289 2.770 1.00 0.00 H new ATOM 524 N ARG A 60 -3.444 -10.458 1.826 1.00 0.00 N ATOM 525 CA ARG A 60 -3.970 -11.810 1.753 1.00 0.00 C ATOM 526 C ARG A 60 -3.574 -12.500 3.069 1.00 0.00 C ATOM 527 O ARG A 60 -2.447 -12.285 3.526 1.00 0.00 O ATOM 528 CB ARG A 60 -3.332 -12.508 0.539 1.00 0.00 C ATOM 529 CG ARG A 60 -3.845 -13.931 0.283 1.00 0.00 C ATOM 530 CD ARG A 60 -5.267 -13.940 -0.290 1.00 0.00 C ATOM 531 NE ARG A 60 -5.763 -15.315 -0.423 1.00 0.00 N ATOM 532 CZ ARG A 60 -6.981 -15.644 -0.876 1.00 0.00 C ATOM 533 NH1 ARG A 60 -7.841 -14.694 -1.257 1.00 0.00 N ATOM 534 NH2 ARG A 60 -7.332 -16.932 -0.944 1.00 0.00 N ATOM 0 H ARG A 60 -2.744 -10.247 1.114 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.053 -11.840 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.515 -11.904 -0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.252 -12.545 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.173 -14.439 -0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.827 -14.495 1.216 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.930 -13.370 0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.276 -13.449 -1.263 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.137 -16.073 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.572 -13.712 -1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.766 -14.952 -1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.675 -17.656 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.257 -17.191 -1.287 1.00 0.00 H new ATOM 548 N PRO A 61 -4.447 -13.302 3.707 1.00 0.00 N ATOM 549 CA PRO A 61 -4.084 -13.977 4.941 1.00 0.00 C ATOM 550 C PRO A 61 -2.772 -14.740 4.769 1.00 0.00 C ATOM 551 O PRO A 61 -2.444 -15.206 3.679 1.00 0.00 O ATOM 552 CB PRO A 61 -5.239 -14.906 5.298 1.00 0.00 C ATOM 553 CG PRO A 61 -6.431 -14.276 4.576 1.00 0.00 C ATOM 554 CD PRO A 61 -5.815 -13.624 3.336 1.00 0.00 C ATOM 0 HA PRO A 61 -3.919 -13.263 5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.055 -15.925 4.958 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.400 -14.953 6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.174 -15.026 4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.934 -13.541 5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.841 -14.301 2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.365 -12.728 3.049 1.00 0.00 H new ATOM 562 N GLY A 62 -2.018 -14.839 5.858 1.00 0.00 N ATOM 563 CA GLY A 62 -0.675 -15.396 5.848 1.00 0.00 C ATOM 564 C GLY A 62 0.360 -14.279 5.667 1.00 0.00 C ATOM 565 O GLY A 62 1.463 -14.386 6.198 1.00 0.00 O ATOM 0 H GLY A 62 -2.327 -14.531 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.487 -15.928 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.581 -16.123 5.041 1.00 0.00 H new ATOM 569 N TYR A 63 0.017 -13.209 4.934 1.00 0.00 N ATOM 570 CA TYR A 63 0.868 -12.059 4.702 1.00 0.00 C ATOM 571 C TYR A 63 0.400 -10.885 5.556 1.00 0.00 C ATOM 572 O TYR A 63 -0.751 -10.846 5.991 1.00 0.00 O ATOM 573 CB TYR A 63 0.859 -11.662 3.218 1.00 0.00 C ATOM 574 CG TYR A 63 1.291 -12.750 2.251 1.00 0.00 C ATOM 575 CD1 TYR A 63 0.403 -13.789 1.913 1.00 0.00 C ATOM 576 CD2 TYR A 63 2.501 -12.619 1.547 1.00 0.00 C ATOM 577 CE1 TYR A 63 0.760 -14.734 0.937 1.00 0.00 C ATOM 578 CE2 TYR A 63 2.859 -13.563 0.572 1.00 0.00 C ATOM 579 CZ TYR A 63 1.997 -14.631 0.279 1.00 0.00 C ATOM 580 OH TYR A 63 2.348 -15.540 -0.673 1.00 0.00 O ATOM 0 H TYR A 63 -0.891 -13.129 4.477 1.00 0.00 H new ATOM 0 HA TYR A 63 1.888 -12.325 4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.148 -11.341 2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.514 -10.801 3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.556 -13.860 2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.158 -11.788 1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.084 -15.540 0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.798 -13.467 0.047 1.00 0.00 H new ATOM 0 HH TYR A 63 3.235 -15.318 -1.026 1.00 0.00 H new ATOM 590 N GLU A 64 1.294 -9.921 5.775 1.00 0.00 N ATOM 591 CA GLU A 64 1.024 -8.700 6.509 1.00 0.00 C ATOM 592 C GLU A 64 1.816 -7.558 5.890 1.00 0.00 C ATOM 593 O GLU A 64 2.826 -7.779 5.213 1.00 0.00 O ATOM 594 CB GLU A 64 1.401 -8.860 7.991 1.00 0.00 C ATOM 595 CG GLU A 64 0.162 -9.054 8.871 1.00 0.00 C ATOM 596 CD GLU A 64 -0.763 -7.834 8.911 1.00 0.00 C ATOM 597 OE1 GLU A 64 -0.412 -6.805 8.288 1.00 0.00 O ATOM 598 OE2 GLU A 64 -1.820 -7.953 9.568 1.00 0.00 O ATOM 0 H GLU A 64 2.253 -9.977 5.433 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.042 -8.481 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.068 -9.714 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.950 -7.980 8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.401 -9.913 8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.482 -9.290 9.886 1.00 0.00 H new ATOM 605 N LEU A 65 1.344 -6.331 6.125 1.00 0.00 N ATOM 606 CA LEU A 65 2.044 -5.148 5.668 1.00 0.00 C ATOM 607 C LEU A 65 3.334 -5.044 6.461 1.00 0.00 C ATOM 608 O LEU A 65 3.334 -5.213 7.678 1.00 0.00 O ATOM 609 CB LEU A 65 1.266 -3.863 5.944 1.00 0.00 C ATOM 610 CG LEU A 65 0.025 -3.616 5.086 1.00 0.00 C ATOM 611 CD1 LEU A 65 -0.511 -2.267 5.558 1.00 0.00 C ATOM 612 CD2 LEU A 65 0.323 -3.502 3.586 1.00 0.00 C ATOM 0 H LEU A 65 0.479 -6.140 6.630 1.00 0.00 H new ATOM 0 HA LEU A 65 2.195 -5.246 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.961 -3.868 6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.944 -3.020 5.813 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.663 -4.453 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.406 -2.013 4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.757 -2.324 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.247 -1.500 5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.606 -3.327 3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.007 -2.671 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.780 -4.427 3.235 1.00 0.00 H new ATOM 624 N GLN A 66 4.419 -4.738 5.764 1.00 0.00 N ATOM 625 CA GLN A 66 5.701 -4.501 6.405 1.00 0.00 C ATOM 626 C GLN A 66 5.853 -2.995 6.616 1.00 0.00 C ATOM 627 O GLN A 66 4.966 -2.224 6.247 1.00 0.00 O ATOM 628 CB GLN A 66 6.816 -5.123 5.559 1.00 0.00 C ATOM 629 CG GLN A 66 6.539 -6.611 5.294 1.00 0.00 C ATOM 630 CD GLN A 66 6.340 -7.429 6.569 1.00 0.00 C ATOM 631 OE1 GLN A 66 7.246 -7.502 7.392 1.00 0.00 O ATOM 632 NE2 GLN A 66 5.181 -8.064 6.726 1.00 0.00 N ATOM 0 H GLN A 66 4.435 -4.648 4.748 1.00 0.00 H new ATOM 0 HA GLN A 66 5.764 -4.977 7.384 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.899 -4.590 4.612 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.771 -5.013 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.649 -6.702 4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.369 -7.032 4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.452 -7.978 6.018 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.022 -8.637 7.555 1.00 0.00 H new ATOM 641 N GLU A 67 6.994 -2.554 7.152 1.00 0.00 N ATOM 642 CA GLU A 67 7.254 -1.145 7.448 1.00 0.00 C ATOM 643 C GLU A 67 7.123 -0.219 6.231 1.00 0.00 C ATOM 644 O GLU A 67 7.029 0.995 6.386 1.00 0.00 O ATOM 645 CB GLU A 67 8.635 -0.987 8.104 1.00 0.00 C ATOM 646 CG GLU A 67 8.848 -1.893 9.328 1.00 0.00 C ATOM 647 CD GLU A 67 7.742 -1.735 10.366 1.00 0.00 C ATOM 648 OE1 GLU A 67 7.763 -0.700 11.066 1.00 0.00 O ATOM 649 OE2 GLU A 67 6.892 -2.649 10.432 1.00 0.00 O ATOM 0 H GLU A 67 7.769 -3.171 7.394 1.00 0.00 H new ATOM 0 HA GLU A 67 6.476 -0.830 8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.405 -1.205 7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.767 0.052 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.893 -2.933 9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.809 -1.660 9.786 1.00 0.00 H new ATOM 656 N ASP A 68 7.118 -0.786 5.023 1.00 0.00 N ATOM 657 CA ASP A 68 6.926 -0.056 3.780 1.00 0.00 C ATOM 658 C ASP A 68 5.521 0.542 3.766 1.00 0.00 C ATOM 659 O ASP A 68 5.303 1.611 3.207 1.00 0.00 O ATOM 660 CB ASP A 68 7.064 -1.014 2.590 1.00 0.00 C ATOM 661 CG ASP A 68 8.389 -1.764 2.578 1.00 0.00 C ATOM 662 OD1 ASP A 68 8.457 -2.788 3.294 1.00 0.00 O ATOM 663 OD2 ASP A 68 9.298 -1.317 1.847 1.00 0.00 O ATOM 0 H ASP A 68 7.251 -1.788 4.885 1.00 0.00 H new ATOM 0 HA ASP A 68 7.675 0.732 3.705 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.246 -1.734 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.965 -0.449 1.663 1.00 0.00 H new ATOM 668 N ARG A 69 4.567 -0.179 4.367 1.00 0.00 N ATOM 669 CA ARG A 69 3.167 0.194 4.449 1.00 0.00 C ATOM 670 C ARG A 69 2.473 0.087 3.090 1.00 0.00 C ATOM 671 O ARG A 69 1.484 0.768 2.825 1.00 0.00 O ATOM 672 CB ARG A 69 3.036 1.576 5.092 1.00 0.00 C ATOM 673 CG ARG A 69 1.777 1.627 5.953 1.00 0.00 C ATOM 674 CD ARG A 69 1.707 2.968 6.693 1.00 0.00 C ATOM 675 NE ARG A 69 0.425 3.146 7.389 1.00 0.00 N ATOM 676 CZ ARG A 69 -0.705 3.570 6.805 1.00 0.00 C ATOM 677 NH1 ARG A 69 -0.773 3.737 5.481 1.00 0.00 N ATOM 678 NH2 ARG A 69 -1.787 3.836 7.541 1.00 0.00 N ATOM 0 H ARG A 69 4.766 -1.069 4.823 1.00 0.00 H new ATOM 0 HA ARG A 69 2.645 -0.514 5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.914 1.788 5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.991 2.344 4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.893 1.500 5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.782 0.806 6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.522 3.027 7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.850 3.782 5.982 1.00 0.00 H new ATOM 0 HE ARG A 69 0.393 2.932 8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.042 3.541 4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.640 4.060 5.052 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.757 3.717 8.554 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.644 4.158 7.091 1.00 0.00 H new ATOM 692 N HIS A 70 2.994 -0.810 2.252 1.00 0.00 N ATOM 693 CA HIS A 70 2.503 -1.117 0.916 1.00 0.00 C ATOM 694 C HIS A 70 2.823 -2.577 0.616 1.00 0.00 C ATOM 695 O HIS A 70 1.987 -3.319 0.101 1.00 0.00 O ATOM 696 CB HIS A 70 3.172 -0.223 -0.141 1.00 0.00 C ATOM 697 CG HIS A 70 3.006 1.255 0.088 1.00 0.00 C ATOM 698 ND1 HIS A 70 4.098 2.054 0.416 1.00 0.00 N ATOM 699 CD2 HIS A 70 1.879 2.033 0.064 1.00 0.00 C ATOM 700 CE1 HIS A 70 3.582 3.262 0.649 1.00 0.00 C ATOM 701 NE2 HIS A 70 2.254 3.301 0.456 1.00 0.00 N ATOM 0 H HIS A 70 3.810 -1.368 2.503 1.00 0.00 H new ATOM 0 HA HIS A 70 1.429 -0.936 0.880 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.237 -0.455 -0.172 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.763 -0.473 -1.120 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.078 1.776 0.467 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.884 1.714 -0.210 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.168 4.115 0.959 1.00 0.00 H new ATOM 709 N SER A 71 4.059 -2.973 0.933 1.00 0.00 N ATOM 710 CA SER A 71 4.581 -4.309 0.719 1.00 0.00 C ATOM 711 C SER A 71 3.951 -5.313 1.688 1.00 0.00 C ATOM 712 O SER A 71 4.165 -5.218 2.900 1.00 0.00 O ATOM 713 CB SER A 71 6.105 -4.273 0.887 1.00 0.00 C ATOM 714 OG SER A 71 6.613 -3.113 0.253 1.00 0.00 O ATOM 0 H SER A 71 4.740 -2.345 1.360 1.00 0.00 H new ATOM 0 HA SER A 71 4.329 -4.636 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.367 -4.269 1.945 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.553 -5.166 0.452 1.00 0.00 H new ATOM 0 HG SER A 71 7.587 -3.083 0.358 1.00 0.00 H new ATOM 720 N CYS A 72 3.190 -6.270 1.150 1.00 0.00 N ATOM 721 CA CYS A 72 2.578 -7.353 1.904 1.00 0.00 C ATOM 722 C CYS A 72 3.524 -8.541 1.826 1.00 0.00 C ATOM 723 O CYS A 72 3.673 -9.112 0.748 1.00 0.00 O ATOM 724 CB CYS A 72 1.241 -7.769 1.284 1.00 0.00 C ATOM 725 SG CYS A 72 -0.133 -6.647 1.586 1.00 0.00 S ATOM 0 H CYS A 72 2.981 -6.309 0.152 1.00 0.00 H new ATOM 0 HA CYS A 72 2.399 -7.029 2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.375 -7.870 0.207 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.974 -8.754 1.666 1.00 0.00 H new ATOM 730 N GLN A 73 4.172 -8.920 2.929 1.00 0.00 N ATOM 731 CA GLN A 73 5.084 -10.060 2.942 1.00 0.00 C ATOM 732 C GLN A 73 4.612 -11.080 3.971 1.00 0.00 C ATOM 733 O GLN A 73 3.809 -10.770 4.848 1.00 0.00 O ATOM 734 CB GLN A 73 6.529 -9.634 3.221 1.00 0.00 C ATOM 735 CG GLN A 73 6.992 -8.434 2.379 1.00 0.00 C ATOM 736 CD GLN A 73 6.837 -8.648 0.876 1.00 0.00 C ATOM 737 OE1 GLN A 73 6.237 -7.828 0.188 1.00 0.00 O ATOM 738 NE2 GLN A 73 7.386 -9.737 0.348 1.00 0.00 N ATOM 0 H GLN A 73 4.080 -8.449 3.829 1.00 0.00 H new ATOM 0 HA GLN A 73 5.074 -10.515 1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.628 -9.385 4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.191 -10.478 3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.422 -7.553 2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.038 -8.226 2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.879 -10.401 0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.315 -9.909 -0.655 1.00 0.00 H new ATOM 747 N ALA A 74 5.119 -12.306 3.851 1.00 0.00 N ATOM 748 CA ALA A 74 4.787 -13.417 4.734 1.00 0.00 C ATOM 749 C ALA A 74 5.645 -13.319 5.987 1.00 0.00 C ATOM 750 O ALA A 74 6.504 -14.160 6.245 1.00 0.00 O ATOM 751 CB ALA A 74 4.989 -14.733 3.999 1.00 0.00 C ATOM 0 H ALA A 74 5.786 -12.557 3.121 1.00 0.00 H new ATOM 0 HA ALA A 74 3.740 -13.373 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.740 -15.562 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.343 -14.763 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.030 -14.819 3.686 1.00 0.00 H new ATOM 757 N GLU A 75 5.415 -12.234 6.715 1.00 0.00 N ATOM 758 CA GLU A 75 6.137 -11.856 7.918 1.00 0.00 C ATOM 759 C GLU A 75 5.166 -11.125 8.841 1.00 0.00 C ATOM 760 O GLU A 75 4.976 -11.602 9.980 1.00 0.00 O ATOM 761 CB GLU A 75 7.305 -10.930 7.549 1.00 0.00 C ATOM 762 CG GLU A 75 8.366 -11.574 6.649 1.00 0.00 C ATOM 763 CD GLU A 75 9.448 -10.566 6.277 1.00 0.00 C ATOM 764 OE1 GLU A 75 9.236 -9.853 5.271 1.00 0.00 O ATOM 765 OE2 GLU A 75 10.468 -10.529 6.998 1.00 0.00 O ATOM 766 OXT GLU A 75 4.626 -10.094 8.378 1.00 0.00 O ATOM 0 H GLU A 75 4.686 -11.564 6.470 1.00 0.00 H new ATOM 0 HA GLU A 75 6.537 -12.739 8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.908 -10.047 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.784 -10.587 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.816 -12.424 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.896 -11.960 5.744 1.00 0.00 H new TER 773 GLU A 75