USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=9 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 43 GLN : amide:sc= 2.29 K(o=4.3,f=0.56) USER MOD Set 1.2: A 55 TYR OH : rot -174:sc= 1.88 USER MOD Set 1.3: A 70 HIS : no HD1:sc= 0.183 K(o=4.3,f=-1.2!) USER MOD Set 2.1: A 49 HIS : no HE2:sc= 0.674 K(o=2,f=-4.8!) USER MOD Set 2.2: A 58 SER OG : rot 154:sc= 1.29 USER MOD Set 3.1: A 45 GLN : amide:sc= -0.0824 K(o=0.26,f=-4.8) USER MOD Set 3.2: A 46 HIS : no HD1:sc= 0.339 K(o=0.26,f=-12!) USER MOD Single : A 31 SER OG : rot 78:sc= 0.707 USER MOD Single : A 33 SER OG : rot 170:sc= 1.19 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -80:sc= 1.21 USER MOD Single : A 41 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 50 ASN : amide:sc= 1.11 K(o=1.1,f=-1.5!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 1.11 K(o=1.1,f=-5.4!) USER MOD Single : A 71 SER OG : rot 84:sc= 1.18 USER MOD Single : A 73 GLN : amide:sc= 1.07 K(o=1.1,f=-0.0053) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 -10.416 7.982 -0.567 1.00 0.00 N ATOM 2 CA ALA A 23 -11.050 8.189 0.747 1.00 0.00 C ATOM 3 C ALA A 23 -12.451 8.754 0.529 1.00 0.00 C ATOM 4 O ALA A 23 -13.322 8.006 0.100 1.00 0.00 O ATOM 5 CB ALA A 23 -10.178 9.057 1.660 1.00 0.00 C ATOM 0 HA ALA A 23 -11.147 7.238 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.676 9.189 2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.215 8.570 1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.021 10.031 1.195 1.00 0.00 H new ATOM 13 N VAL A 24 -12.677 10.049 0.785 1.00 0.00 N ATOM 14 CA VAL A 24 -13.925 10.689 0.370 1.00 0.00 C ATOM 15 C VAL A 24 -13.931 10.665 -1.167 1.00 0.00 C ATOM 16 O VAL A 24 -14.950 10.428 -1.808 1.00 0.00 O ATOM 17 CB VAL A 24 -14.037 12.102 0.975 1.00 0.00 C ATOM 18 CG1 VAL A 24 -12.930 13.066 0.523 1.00 0.00 C ATOM 19 CG2 VAL A 24 -15.406 12.716 0.659 1.00 0.00 C ATOM 0 H VAL A 24 -12.022 10.663 1.269 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.806 10.163 0.737 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.917 11.968 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.080 14.038 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.959 12.668 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.965 13.177 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -15.467 13.713 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.534 12.783 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -16.192 12.088 1.079 1.00 0.00 H new ATOM 29 N ASP A 25 -12.743 10.894 -1.734 1.00 0.00 N ATOM 30 CA ASP A 25 -12.416 10.758 -3.140 1.00 0.00 C ATOM 31 C ASP A 25 -12.133 9.280 -3.424 1.00 0.00 C ATOM 32 O ASP A 25 -12.204 8.437 -2.527 1.00 0.00 O ATOM 33 CB ASP A 25 -11.165 11.606 -3.432 1.00 0.00 C ATOM 34 CG ASP A 25 -9.893 11.053 -2.777 1.00 0.00 C ATOM 35 OD1 ASP A 25 -10.004 10.499 -1.657 1.00 0.00 O ATOM 36 OD2 ASP A 25 -8.825 11.200 -3.408 1.00 0.00 O ATOM 0 H ASP A 25 -11.941 11.198 -1.182 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.236 11.098 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.016 11.662 -4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.334 12.624 -3.080 1.00 0.00 H new ATOM 41 N LEU A 26 -11.745 8.969 -4.659 1.00 0.00 N ATOM 42 CA LEU A 26 -11.379 7.618 -5.053 1.00 0.00 C ATOM 43 C LEU A 26 -10.179 7.090 -4.248 1.00 0.00 C ATOM 44 O LEU A 26 -9.636 7.771 -3.374 1.00 0.00 O ATOM 45 CB LEU A 26 -11.153 7.571 -6.573 1.00 0.00 C ATOM 46 CG LEU A 26 -9.788 8.097 -7.052 1.00 0.00 C ATOM 47 CD1 LEU A 26 -9.770 8.079 -8.583 1.00 0.00 C ATOM 48 CD2 LEU A 26 -9.454 9.513 -6.568 1.00 0.00 C ATOM 0 H LEU A 26 -11.677 9.652 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.201 6.942 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.265 6.540 -6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.938 8.151 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.031 7.441 -6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.809 8.449 -8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.920 7.059 -8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.568 8.716 -8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.476 9.807 -6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.210 10.209 -6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.438 9.531 -5.478 1.00 0.00 H new ATOM 60 N ASP A 27 -9.766 5.855 -4.537 1.00 0.00 N ATOM 61 CA ASP A 27 -8.658 5.224 -3.838 1.00 0.00 C ATOM 62 C ASP A 27 -7.329 5.879 -4.222 1.00 0.00 C ATOM 63 O ASP A 27 -6.758 5.592 -5.278 1.00 0.00 O ATOM 64 CB ASP A 27 -8.651 3.714 -4.101 1.00 0.00 C ATOM 65 CG ASP A 27 -7.553 2.988 -3.327 1.00 0.00 C ATOM 66 OD1 ASP A 27 -6.959 3.616 -2.418 1.00 0.00 O ATOM 67 OD2 ASP A 27 -7.337 1.803 -3.655 1.00 0.00 O ATOM 0 H ASP A 27 -10.190 5.272 -5.258 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.790 5.370 -2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.620 3.297 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.517 3.535 -5.168 1.00 0.00 H new ATOM 72 N GLU A 28 -6.818 6.742 -3.343 1.00 0.00 N ATOM 73 CA GLU A 28 -5.550 7.426 -3.532 1.00 0.00 C ATOM 74 C GLU A 28 -4.429 6.421 -3.794 1.00 0.00 C ATOM 75 O GLU A 28 -3.557 6.678 -4.615 1.00 0.00 O ATOM 76 CB GLU A 28 -5.210 8.284 -2.309 1.00 0.00 C ATOM 77 CG GLU A 28 -6.288 9.326 -1.983 1.00 0.00 C ATOM 78 CD GLU A 28 -7.228 8.895 -0.862 1.00 0.00 C ATOM 79 OE1 GLU A 28 -7.678 7.729 -0.902 1.00 0.00 O ATOM 80 OE2 GLU A 28 -7.504 9.741 0.015 1.00 0.00 O ATOM 0 H GLU A 28 -7.284 6.985 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.645 8.078 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.069 7.634 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.262 8.793 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.805 10.262 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.873 9.526 -2.881 1.00 0.00 H new ATOM 87 N CYS A 29 -4.457 5.271 -3.118 1.00 0.00 N ATOM 88 CA CYS A 29 -3.435 4.243 -3.284 1.00 0.00 C ATOM 89 C CYS A 29 -3.450 3.635 -4.692 1.00 0.00 C ATOM 90 O CYS A 29 -2.424 3.155 -5.171 1.00 0.00 O ATOM 91 CB CYS A 29 -3.584 3.166 -2.207 1.00 0.00 C ATOM 92 SG CYS A 29 -4.251 1.592 -2.767 1.00 0.00 S ATOM 0 H CYS A 29 -5.185 5.030 -2.445 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.462 4.720 -3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.606 2.987 -1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.229 3.553 -1.418 1.00 0.00 H new ATOM 97 N ALA A 30 -4.609 3.623 -5.357 1.00 0.00 N ATOM 98 CA ALA A 30 -4.712 3.127 -6.723 1.00 0.00 C ATOM 99 C ALA A 30 -4.289 4.241 -7.672 1.00 0.00 C ATOM 100 O ALA A 30 -3.537 4.017 -8.617 1.00 0.00 O ATOM 101 CB ALA A 30 -6.143 2.673 -7.012 1.00 0.00 C ATOM 0 H ALA A 30 -5.490 3.954 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.059 2.266 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.208 2.304 -8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.418 1.876 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.824 3.514 -6.885 1.00 0.00 H new ATOM 107 N SER A 31 -4.777 5.452 -7.399 1.00 0.00 N ATOM 108 CA SER A 31 -4.482 6.636 -8.189 1.00 0.00 C ATOM 109 C SER A 31 -2.973 6.885 -8.253 1.00 0.00 C ATOM 110 O SER A 31 -2.394 7.013 -9.329 1.00 0.00 O ATOM 111 CB SER A 31 -5.209 7.841 -7.581 1.00 0.00 C ATOM 112 OG SER A 31 -6.568 7.528 -7.342 1.00 0.00 O ATOM 0 H SER A 31 -5.397 5.635 -6.610 1.00 0.00 H new ATOM 0 HA SER A 31 -4.833 6.484 -9.210 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.727 8.132 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.139 8.694 -8.256 1.00 0.00 H new ATOM 0 HG SER A 31 -6.640 6.984 -6.530 1.00 0.00 H new ATOM 118 N ARG A 32 -2.328 6.943 -7.088 1.00 0.00 N ATOM 119 CA ARG A 32 -0.900 7.186 -6.954 1.00 0.00 C ATOM 120 C ARG A 32 -0.140 5.876 -7.157 1.00 0.00 C ATOM 121 O ARG A 32 0.626 5.445 -6.293 1.00 0.00 O ATOM 122 CB ARG A 32 -0.604 7.820 -5.588 1.00 0.00 C ATOM 123 CG ARG A 32 -1.356 9.145 -5.402 1.00 0.00 C ATOM 124 CD ARG A 32 -0.811 9.930 -4.205 1.00 0.00 C ATOM 125 NE ARG A 32 -0.852 9.144 -2.963 1.00 0.00 N ATOM 126 CZ ARG A 32 -0.360 9.574 -1.792 1.00 0.00 C ATOM 127 NH1 ARG A 32 0.142 10.809 -1.684 1.00 0.00 N ATOM 128 NH2 ARG A 32 -0.369 8.766 -0.729 1.00 0.00 N ATOM 0 H ARG A 32 -2.800 6.819 -6.192 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.565 7.888 -7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.887 7.127 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.468 7.993 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.266 9.747 -6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.418 8.946 -5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.216 10.233 -4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.393 10.843 -4.075 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.279 8.218 -2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.152 11.428 -2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.515 11.132 -0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.750 7.823 -0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.005 9.092 0.162 1.00 0.00 H new ATOM 142 N SER A 33 -0.349 5.259 -8.318 1.00 0.00 N ATOM 143 CA SER A 33 0.272 4.009 -8.721 1.00 0.00 C ATOM 144 C SER A 33 1.753 4.195 -9.043 1.00 0.00 C ATOM 145 O SER A 33 2.524 3.240 -8.984 1.00 0.00 O ATOM 146 CB SER A 33 -0.446 3.545 -9.983 1.00 0.00 C ATOM 147 OG SER A 33 -0.443 4.608 -10.919 1.00 0.00 O ATOM 0 H SER A 33 -0.980 5.634 -9.027 1.00 0.00 H new ATOM 0 HA SER A 33 0.196 3.286 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.052 2.670 -10.402 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.469 3.249 -9.750 1.00 0.00 H new ATOM 0 HG SER A 33 -0.753 4.279 -11.789 1.00 0.00 H new ATOM 153 N LYS A 34 2.126 5.411 -9.463 1.00 0.00 N ATOM 154 CA LYS A 34 3.478 5.765 -9.874 1.00 0.00 C ATOM 155 C LYS A 34 3.955 4.807 -10.974 1.00 0.00 C ATOM 156 O LYS A 34 5.126 4.436 -11.022 1.00 0.00 O ATOM 157 CB LYS A 34 4.422 5.780 -8.658 1.00 0.00 C ATOM 158 CG LYS A 34 3.884 6.655 -7.516 1.00 0.00 C ATOM 159 CD LYS A 34 4.854 6.640 -6.330 1.00 0.00 C ATOM 160 CE LYS A 34 4.268 7.432 -5.156 1.00 0.00 C ATOM 161 NZ LYS A 34 5.168 7.409 -3.991 1.00 0.00 N ATOM 0 H LYS A 34 1.473 6.192 -9.526 1.00 0.00 H new ATOM 0 HA LYS A 34 3.483 6.772 -10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.563 4.761 -8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.401 6.148 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.745 7.677 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.907 6.291 -7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.049 5.612 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.810 7.071 -6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.093 8.463 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.301 7.013 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.743 7.954 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.315 6.426 -3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.082 7.831 -4.250 1.00 0.00 H new ATOM 175 N SER A 35 3.037 4.399 -11.858 1.00 0.00 N ATOM 176 CA SER A 35 3.325 3.428 -12.900 1.00 0.00 C ATOM 177 C SER A 35 2.276 3.496 -14.008 1.00 0.00 C ATOM 178 O SER A 35 2.499 4.096 -15.056 1.00 0.00 O ATOM 179 CB SER A 35 3.395 2.033 -12.262 1.00 0.00 C ATOM 180 OG SER A 35 2.274 1.839 -11.417 1.00 0.00 O ATOM 0 H SER A 35 2.075 4.738 -11.864 1.00 0.00 H new ATOM 0 HA SER A 35 4.285 3.652 -13.366 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.415 1.268 -13.038 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.317 1.930 -11.689 1.00 0.00 H new ATOM 0 HG SER A 35 2.429 2.288 -10.560 1.00 0.00 H new ATOM 186 N GLY A 36 1.135 2.861 -13.760 1.00 0.00 N ATOM 187 CA GLY A 36 0.018 2.768 -14.692 1.00 0.00 C ATOM 188 C GLY A 36 -1.309 2.619 -13.952 1.00 0.00 C ATOM 189 O GLY A 36 -1.392 2.906 -12.759 1.00 0.00 O ATOM 0 H GLY A 36 0.957 2.382 -12.877 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.011 3.659 -15.319 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.165 1.916 -15.356 1.00 0.00 H new ATOM 193 N GLU A 37 -2.354 2.158 -14.646 1.00 0.00 N ATOM 194 CA GLU A 37 -3.688 1.986 -14.077 1.00 0.00 C ATOM 195 C GLU A 37 -3.740 0.757 -13.160 1.00 0.00 C ATOM 196 O GLU A 37 -4.449 -0.212 -13.437 1.00 0.00 O ATOM 197 CB GLU A 37 -4.720 1.891 -15.210 1.00 0.00 C ATOM 198 CG GLU A 37 -4.742 3.161 -16.073 1.00 0.00 C ATOM 199 CD GLU A 37 -5.812 3.066 -17.156 1.00 0.00 C ATOM 200 OE1 GLU A 37 -5.474 2.543 -18.240 1.00 0.00 O ATOM 201 OE2 GLU A 37 -6.947 3.507 -16.875 1.00 0.00 O ATOM 0 H GLU A 37 -2.294 1.892 -15.629 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.929 2.852 -13.461 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.492 1.030 -15.838 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.710 1.723 -14.786 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.933 4.030 -15.443 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.765 3.309 -16.533 1.00 0.00 H new ATOM 208 N GLU A 38 -2.996 0.796 -12.054 1.00 0.00 N ATOM 209 CA GLU A 38 -2.940 -0.295 -11.095 1.00 0.00 C ATOM 210 C GLU A 38 -4.220 -0.365 -10.258 1.00 0.00 C ATOM 211 O GLU A 38 -4.210 -0.037 -9.073 1.00 0.00 O ATOM 212 CB GLU A 38 -1.712 -0.160 -10.191 1.00 0.00 C ATOM 213 CG GLU A 38 -0.376 -0.264 -10.933 1.00 0.00 C ATOM 214 CD GLU A 38 0.788 -0.291 -9.943 1.00 0.00 C ATOM 215 OE1 GLU A 38 0.738 0.514 -8.986 1.00 0.00 O ATOM 216 OE2 GLU A 38 1.704 -1.114 -10.160 1.00 0.00 O ATOM 0 H GLU A 38 -2.413 1.594 -11.802 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.855 -1.226 -11.656 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.756 0.800 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.751 -0.934 -9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.362 -1.167 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.264 0.582 -11.612 1.00 0.00 H new ATOM 223 N ASP A 39 -5.329 -0.772 -10.881 1.00 0.00 N ATOM 224 CA ASP A 39 -6.553 -1.071 -10.152 1.00 0.00 C ATOM 225 C ASP A 39 -6.238 -2.313 -9.307 1.00 0.00 C ATOM 226 O ASP A 39 -6.302 -2.236 -8.081 1.00 0.00 O ATOM 227 CB ASP A 39 -7.759 -1.209 -11.091 1.00 0.00 C ATOM 228 CG ASP A 39 -8.967 -1.758 -10.341 1.00 0.00 C ATOM 229 OD1 ASP A 39 -9.713 -0.929 -9.778 1.00 0.00 O ATOM 230 OD2 ASP A 39 -9.114 -3.000 -10.339 1.00 0.00 O ATOM 0 H ASP A 39 -5.399 -0.901 -11.890 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.858 -0.258 -9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.003 -0.238 -11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.507 -1.871 -11.919 1.00 0.00 H new ATOM 235 N PRO A 40 -5.864 -3.453 -9.919 1.00 0.00 N ATOM 236 CA PRO A 40 -5.309 -4.556 -9.157 1.00 0.00 C ATOM 237 C PRO A 40 -3.899 -4.131 -8.723 1.00 0.00 C ATOM 238 O PRO A 40 -3.338 -3.207 -9.312 1.00 0.00 O ATOM 239 CB PRO A 40 -5.261 -5.731 -10.135 1.00 0.00 C ATOM 240 CG PRO A 40 -5.041 -5.050 -11.482 1.00 0.00 C ATOM 241 CD PRO A 40 -5.880 -3.782 -11.341 1.00 0.00 C ATOM 0 HA PRO A 40 -5.880 -4.827 -8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.453 -6.422 -9.896 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.187 -6.306 -10.120 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.989 -4.825 -11.658 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.377 -5.671 -12.312 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.463 -2.969 -11.936 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.898 -3.945 -11.694 1.00 0.00 H new ATOM 249 N GLN A 41 -3.326 -4.809 -7.720 1.00 0.00 N ATOM 250 CA GLN A 41 -2.006 -4.529 -7.144 1.00 0.00 C ATOM 251 C GLN A 41 -1.619 -3.037 -7.184 1.00 0.00 C ATOM 252 O GLN A 41 -0.702 -2.662 -7.918 1.00 0.00 O ATOM 253 CB GLN A 41 -0.935 -5.451 -7.752 1.00 0.00 C ATOM 254 CG GLN A 41 -0.779 -5.363 -9.281 1.00 0.00 C ATOM 255 CD GLN A 41 0.676 -5.179 -9.697 1.00 0.00 C ATOM 256 OE1 GLN A 41 1.282 -6.064 -10.292 1.00 0.00 O ATOM 257 NE2 GLN A 41 1.240 -4.015 -9.394 1.00 0.00 N ATOM 0 H GLN A 41 -3.789 -5.599 -7.270 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.068 -4.761 -6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.025 -5.217 -7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.173 -6.481 -7.487 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.175 -6.270 -9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.372 -4.530 -9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.704 -3.302 -8.898 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.209 -3.834 -9.657 1.00 0.00 H new ATOM 266 N PRO A 42 -2.318 -2.188 -6.411 1.00 0.00 N ATOM 267 CA PRO A 42 -2.095 -0.748 -6.366 1.00 0.00 C ATOM 268 C PRO A 42 -0.782 -0.411 -5.644 1.00 0.00 C ATOM 269 O PRO A 42 0.097 -1.260 -5.514 1.00 0.00 O ATOM 270 CB PRO A 42 -3.350 -0.208 -5.674 1.00 0.00 C ATOM 271 CG PRO A 42 -3.722 -1.317 -4.696 1.00 0.00 C ATOM 272 CD PRO A 42 -3.400 -2.567 -5.510 1.00 0.00 C ATOM 0 HA PRO A 42 -1.966 -0.290 -7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.151 0.732 -5.159 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.151 -0.017 -6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.138 -1.265 -3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.773 -1.275 -4.409 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.098 -3.389 -4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.273 -2.906 -6.068 1.00 0.00 H new ATOM 280 N GLN A 43 -0.634 0.832 -5.161 1.00 0.00 N ATOM 281 CA GLN A 43 0.568 1.274 -4.454 1.00 0.00 C ATOM 282 C GLN A 43 0.966 0.289 -3.341 1.00 0.00 C ATOM 283 O GLN A 43 2.152 0.096 -3.083 1.00 0.00 O ATOM 284 CB GLN A 43 0.340 2.692 -3.917 1.00 0.00 C ATOM 285 CG GLN A 43 1.618 3.380 -3.430 1.00 0.00 C ATOM 286 CD GLN A 43 1.274 4.691 -2.733 1.00 0.00 C ATOM 287 OE1 GLN A 43 1.232 4.763 -1.506 1.00 0.00 O ATOM 288 NE2 GLN A 43 0.990 5.735 -3.503 1.00 0.00 N ATOM 0 H GLN A 43 -1.347 1.556 -5.252 1.00 0.00 H new ATOM 0 HA GLN A 43 1.407 1.295 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.112 3.299 -4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.374 2.649 -3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.155 2.724 -2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.282 3.571 -4.273 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.033 5.647 -4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.729 6.625 -3.079 1.00 0.00 H new ATOM 297 N CYS A 44 -0.022 -0.305 -2.663 1.00 0.00 N ATOM 298 CA CYS A 44 0.186 -1.355 -1.670 1.00 0.00 C ATOM 299 C CYS A 44 -0.084 -2.686 -2.360 1.00 0.00 C ATOM 300 O CYS A 44 -1.025 -2.775 -3.145 1.00 0.00 O ATOM 301 CB CYS A 44 -0.759 -1.190 -0.485 1.00 0.00 C ATOM 302 SG CYS A 44 -0.387 0.221 0.568 1.00 0.00 S ATOM 0 H CYS A 44 -1.004 -0.063 -2.794 1.00 0.00 H new ATOM 0 HA CYS A 44 1.204 -1.305 -1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.778 -1.091 -0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.728 -2.097 0.119 1.00 0.00 H new ATOM 307 N GLN A 45 0.700 -3.719 -2.036 1.00 0.00 N ATOM 308 CA GLN A 45 0.648 -5.012 -2.694 1.00 0.00 C ATOM 309 C GLN A 45 -0.765 -5.542 -2.972 1.00 0.00 C ATOM 310 O GLN A 45 -1.036 -5.949 -4.099 1.00 0.00 O ATOM 311 CB GLN A 45 1.487 -6.040 -1.924 1.00 0.00 C ATOM 312 CG GLN A 45 2.065 -7.049 -2.923 1.00 0.00 C ATOM 313 CD GLN A 45 2.838 -8.157 -2.222 1.00 0.00 C ATOM 314 OE1 GLN A 45 2.274 -9.188 -1.864 1.00 0.00 O ATOM 315 NE2 GLN A 45 4.129 -7.939 -1.997 1.00 0.00 N ATOM 0 H GLN A 45 1.399 -3.671 -1.294 1.00 0.00 H new ATOM 0 HA GLN A 45 1.080 -4.853 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.291 -5.542 -1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.872 -6.551 -1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.256 -7.485 -3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.723 -6.533 -3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.562 -7.070 -2.310 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.688 -8.641 -1.511 1.00 0.00 H new ATOM 324 N HIS A 46 -1.635 -5.609 -1.952 1.00 0.00 N ATOM 325 CA HIS A 46 -2.973 -6.189 -2.093 1.00 0.00 C ATOM 326 C HIS A 46 -4.085 -5.145 -1.977 1.00 0.00 C ATOM 327 O HIS A 46 -4.666 -4.789 -3.001 1.00 0.00 O ATOM 328 CB HIS A 46 -3.189 -7.334 -1.098 1.00 0.00 C ATOM 329 CG HIS A 46 -2.197 -8.469 -1.129 1.00 0.00 C ATOM 330 ND1 HIS A 46 -2.230 -9.456 -0.145 1.00 0.00 N ATOM 331 CD2 HIS A 46 -1.146 -8.728 -1.969 1.00 0.00 C ATOM 332 CE1 HIS A 46 -1.101 -10.149 -0.326 1.00 0.00 C ATOM 333 NE2 HIS A 46 -0.404 -9.735 -1.394 1.00 0.00 N ATOM 0 H HIS A 46 -1.430 -5.264 -1.014 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.029 -6.596 -3.103 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.189 -6.913 -0.093 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.182 -7.748 -1.270 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.938 -8.234 -2.907 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.784 -10.956 0.319 1.00 0.00 H new ATOM 0 HE2 HIS A 46 0.495 -10.094 -1.716 1.00 0.00 H new ATOM 341 N LEU A 47 -4.425 -4.685 -0.761 1.00 0.00 N ATOM 342 CA LEU A 47 -5.549 -3.768 -0.570 1.00 0.00 C ATOM 343 C LEU A 47 -5.232 -2.591 0.360 1.00 0.00 C ATOM 344 O LEU A 47 -4.257 -2.613 1.113 1.00 0.00 O ATOM 345 CB LEU A 47 -6.839 -4.541 -0.216 1.00 0.00 C ATOM 346 CG LEU A 47 -6.896 -5.418 1.051 1.00 0.00 C ATOM 347 CD1 LEU A 47 -5.998 -6.655 1.007 1.00 0.00 C ATOM 348 CD2 LEU A 47 -6.645 -4.625 2.332 1.00 0.00 C ATOM 0 H LEU A 47 -3.936 -4.935 0.098 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.739 -3.281 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.643 -3.809 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.074 -5.184 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.923 -5.782 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.101 -7.213 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.292 -7.288 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.960 -6.347 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.697 -5.295 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.657 -4.167 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.401 -3.847 2.432 1.00 0.00 H new ATOM 360 N CYS A 48 -6.073 -1.552 0.268 1.00 0.00 N ATOM 361 CA CYS A 48 -5.909 -0.259 0.920 1.00 0.00 C ATOM 362 C CYS A 48 -7.205 0.163 1.606 1.00 0.00 C ATOM 363 O CYS A 48 -8.106 0.688 0.947 1.00 0.00 O ATOM 364 CB CYS A 48 -5.550 0.774 -0.154 1.00 0.00 C ATOM 365 SG CYS A 48 -4.053 0.410 -1.087 1.00 0.00 S ATOM 0 H CYS A 48 -6.925 -1.599 -0.291 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.124 -0.327 1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.384 0.856 -0.851 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.436 1.747 0.323 1.00 0.00 H new ATOM 370 N HIS A 49 -7.313 -0.042 2.921 1.00 0.00 N ATOM 371 CA HIS A 49 -8.492 0.390 3.652 1.00 0.00 C ATOM 372 C HIS A 49 -8.528 1.910 3.572 1.00 0.00 C ATOM 373 O HIS A 49 -7.635 2.580 4.085 1.00 0.00 O ATOM 374 CB HIS A 49 -8.455 -0.018 5.121 1.00 0.00 C ATOM 375 CG HIS A 49 -8.159 -1.462 5.406 1.00 0.00 C ATOM 376 ND1 HIS A 49 -9.151 -2.442 5.400 1.00 0.00 N ATOM 377 CD2 HIS A 49 -6.979 -2.028 5.801 1.00 0.00 C ATOM 378 CE1 HIS A 49 -8.536 -3.549 5.828 1.00 0.00 C ATOM 379 NE2 HIS A 49 -7.242 -3.340 6.118 1.00 0.00 N ATOM 0 H HIS A 49 -6.602 -0.501 3.491 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.371 -0.079 3.211 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.705 0.591 5.626 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -9.418 0.228 5.568 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -10.129 -2.337 5.129 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.019 -1.536 5.854 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.026 -4.506 5.929 1.00 0.00 H new ATOM 387 N ASN A 50 -9.540 2.445 2.901 1.00 0.00 N ATOM 388 CA ASN A 50 -9.690 3.873 2.672 1.00 0.00 C ATOM 389 C ASN A 50 -10.472 4.485 3.830 1.00 0.00 C ATOM 390 O ASN A 50 -11.459 3.901 4.270 1.00 0.00 O ATOM 391 CB ASN A 50 -10.370 4.085 1.316 1.00 0.00 C ATOM 392 CG ASN A 50 -9.360 4.386 0.223 1.00 0.00 C ATOM 393 OD1 ASN A 50 -9.354 5.482 -0.335 1.00 0.00 O ATOM 394 ND2 ASN A 50 -8.508 3.418 -0.078 1.00 0.00 N ATOM 0 H ASN A 50 -10.291 1.888 2.494 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.723 4.374 2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.939 3.194 1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.082 4.907 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.805 3.564 -0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.555 2.526 0.415 1.00 0.00 H new ATOM 401 N TYR A 51 -10.040 5.650 4.324 1.00 0.00 N ATOM 402 CA TYR A 51 -10.637 6.296 5.488 1.00 0.00 C ATOM 403 C TYR A 51 -10.170 7.750 5.612 1.00 0.00 C ATOM 404 O TYR A 51 -9.438 8.260 4.763 1.00 0.00 O ATOM 405 CB TYR A 51 -10.288 5.502 6.766 1.00 0.00 C ATOM 406 CG TYR A 51 -8.900 5.711 7.364 1.00 0.00 C ATOM 407 CD1 TYR A 51 -7.783 6.006 6.557 1.00 0.00 C ATOM 408 CD2 TYR A 51 -8.738 5.655 8.761 1.00 0.00 C ATOM 409 CE1 TYR A 51 -6.541 6.312 7.136 1.00 0.00 C ATOM 410 CE2 TYR A 51 -7.491 5.940 9.342 1.00 0.00 C ATOM 411 CZ TYR A 51 -6.399 6.292 8.533 1.00 0.00 C ATOM 412 OH TYR A 51 -5.194 6.577 9.103 1.00 0.00 O ATOM 0 H TYR A 51 -9.261 6.171 3.922 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.719 6.305 5.361 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.025 5.751 7.529 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.404 4.441 6.546 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.883 5.997 5.482 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.576 5.392 9.389 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.698 6.562 6.509 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.372 5.888 10.414 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.272 6.519 10.078 1.00 0.00 H new ATOM 422 N VAL A 52 -10.574 8.426 6.687 1.00 0.00 N ATOM 423 CA VAL A 52 -10.127 9.766 6.985 1.00 0.00 C ATOM 424 C VAL A 52 -8.641 9.677 7.305 1.00 0.00 C ATOM 425 O VAL A 52 -8.213 8.790 8.035 1.00 0.00 O ATOM 426 CB VAL A 52 -10.977 10.301 8.136 1.00 0.00 C ATOM 427 CG1 VAL A 52 -10.425 11.614 8.679 1.00 0.00 C ATOM 428 CG2 VAL A 52 -12.383 10.522 7.578 1.00 0.00 C ATOM 0 H VAL A 52 -11.226 8.047 7.374 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.247 10.463 6.156 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.976 9.590 8.962 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.056 11.964 9.496 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.410 11.458 9.045 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.414 12.360 7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.031 10.906 8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.341 11.241 6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.781 9.577 7.209 1.00 0.00 H new ATOM 438 N GLY A 53 -7.855 10.579 6.721 1.00 0.00 N ATOM 439 CA GLY A 53 -6.407 10.495 6.772 1.00 0.00 C ATOM 440 C GLY A 53 -5.894 9.823 5.494 1.00 0.00 C ATOM 441 O GLY A 53 -4.686 9.786 5.280 1.00 0.00 O ATOM 0 H GLY A 53 -8.207 11.384 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.977 11.492 6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.095 9.925 7.647 1.00 0.00 H new ATOM 445 N GLY A 54 -6.789 9.300 4.640 1.00 0.00 N ATOM 446 CA GLY A 54 -6.412 8.731 3.354 1.00 0.00 C ATOM 447 C GLY A 54 -6.679 7.239 3.301 1.00 0.00 C ATOM 448 O GLY A 54 -7.784 6.801 2.977 1.00 0.00 O ATOM 0 H GLY A 54 -7.791 9.264 4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.967 9.229 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.354 8.918 3.169 1.00 0.00 H new ATOM 452 N TYR A 55 -5.653 6.447 3.599 1.00 0.00 N ATOM 453 CA TYR A 55 -5.759 4.999 3.557 1.00 0.00 C ATOM 454 C TYR A 55 -4.662 4.319 4.371 1.00 0.00 C ATOM 455 O TYR A 55 -3.532 4.809 4.437 1.00 0.00 O ATOM 456 CB TYR A 55 -5.745 4.504 2.102 1.00 0.00 C ATOM 457 CG TYR A 55 -4.503 4.886 1.316 1.00 0.00 C ATOM 458 CD1 TYR A 55 -4.383 6.176 0.765 1.00 0.00 C ATOM 459 CD2 TYR A 55 -3.437 3.977 1.194 1.00 0.00 C ATOM 460 CE1 TYR A 55 -3.187 6.561 0.136 1.00 0.00 C ATOM 461 CE2 TYR A 55 -2.248 4.357 0.544 1.00 0.00 C ATOM 462 CZ TYR A 55 -2.134 5.646 -0.001 1.00 0.00 C ATOM 463 OH TYR A 55 -1.015 6.029 -0.678 1.00 0.00 O ATOM 0 H TYR A 55 -4.733 6.791 3.874 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.711 4.727 4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.840 3.418 2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.620 4.901 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.209 6.869 0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.531 2.981 1.602 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.079 7.566 -0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.427 3.660 0.465 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.410 5.263 -0.770 1.00 0.00 H new ATOM 473 N PHE A 56 -5.008 3.182 4.979 1.00 0.00 N ATOM 474 CA PHE A 56 -4.108 2.305 5.710 1.00 0.00 C ATOM 475 C PHE A 56 -4.192 0.950 5.015 1.00 0.00 C ATOM 476 O PHE A 56 -5.281 0.501 4.666 1.00 0.00 O ATOM 477 CB PHE A 56 -4.442 2.256 7.207 1.00 0.00 C ATOM 478 CG PHE A 56 -5.807 1.707 7.573 1.00 0.00 C ATOM 479 CD1 PHE A 56 -6.945 2.527 7.471 1.00 0.00 C ATOM 480 CD2 PHE A 56 -5.933 0.399 8.079 1.00 0.00 C ATOM 481 CE1 PHE A 56 -8.202 2.048 7.878 1.00 0.00 C ATOM 482 CE2 PHE A 56 -7.191 -0.081 8.482 1.00 0.00 C ATOM 483 CZ PHE A 56 -8.324 0.745 8.391 1.00 0.00 C ATOM 0 H PHE A 56 -5.968 2.837 4.971 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.081 2.670 5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.685 1.652 7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.360 3.266 7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.853 3.529 7.078 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.063 -0.236 8.157 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.074 2.681 7.797 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.287 -1.087 8.863 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.287 0.379 8.715 1.00 0.00 H new ATOM 493 N CYS A 57 -3.052 0.322 4.734 1.00 0.00 N ATOM 494 CA CYS A 57 -3.033 -0.918 3.971 1.00 0.00 C ATOM 495 C CYS A 57 -3.009 -2.150 4.857 1.00 0.00 C ATOM 496 O CYS A 57 -2.859 -2.074 6.075 1.00 0.00 O ATOM 497 CB CYS A 57 -1.874 -0.902 2.978 1.00 0.00 C ATOM 498 SG CYS A 57 -2.073 0.395 1.742 1.00 0.00 S ATOM 0 H CYS A 57 -2.132 0.653 5.024 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.966 -0.980 3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.937 -0.753 3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.806 -1.870 2.482 1.00 0.00 H new ATOM 503 N SER A 58 -3.199 -3.298 4.215 1.00 0.00 N ATOM 504 CA SER A 58 -3.207 -4.632 4.789 1.00 0.00 C ATOM 505 C SER A 58 -3.079 -5.589 3.609 1.00 0.00 C ATOM 506 O SER A 58 -3.055 -5.145 2.459 1.00 0.00 O ATOM 507 CB SER A 58 -4.519 -4.897 5.540 1.00 0.00 C ATOM 508 OG SER A 58 -4.653 -4.087 6.692 1.00 0.00 O ATOM 0 H SER A 58 -3.363 -3.318 3.208 1.00 0.00 H new ATOM 0 HA SER A 58 -2.397 -4.757 5.508 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.360 -4.715 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.563 -5.947 5.830 1.00 0.00 H new ATOM 0 HG SER A 58 -5.604 -3.961 6.895 1.00 0.00 H new ATOM 514 N CYS A 59 -3.027 -6.891 3.889 1.00 0.00 N ATOM 515 CA CYS A 59 -2.918 -7.908 2.861 1.00 0.00 C ATOM 516 C CYS A 59 -3.817 -9.089 3.168 1.00 0.00 C ATOM 517 O CYS A 59 -4.443 -9.146 4.226 1.00 0.00 O ATOM 518 CB CYS A 59 -1.456 -8.326 2.697 1.00 0.00 C ATOM 519 SG CYS A 59 -0.611 -7.169 1.596 1.00 0.00 S ATOM 0 H CYS A 59 -3.060 -7.264 4.838 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.257 -7.493 1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.962 -8.345 3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.400 -9.336 2.291 1.00 0.00 H new ATOM 524 N ARG A 60 -3.898 -10.003 2.201 1.00 0.00 N ATOM 525 CA ARG A 60 -4.641 -11.247 2.320 1.00 0.00 C ATOM 526 C ARG A 60 -4.211 -11.988 3.595 1.00 0.00 C ATOM 527 O ARG A 60 -3.084 -11.795 4.054 1.00 0.00 O ATOM 528 CB ARG A 60 -4.341 -12.113 1.089 1.00 0.00 C ATOM 529 CG ARG A 60 -5.030 -11.571 -0.168 1.00 0.00 C ATOM 530 CD ARG A 60 -4.691 -12.460 -1.368 1.00 0.00 C ATOM 531 NE ARG A 60 -5.343 -11.980 -2.594 1.00 0.00 N ATOM 532 CZ ARG A 60 -4.884 -10.994 -3.378 1.00 0.00 C ATOM 533 NH1 ARG A 60 -3.783 -10.316 -3.041 1.00 0.00 N ATOM 534 NH2 ARG A 60 -5.536 -10.690 -4.505 1.00 0.00 N ATOM 0 H ARG A 60 -3.438 -9.892 1.297 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.710 -11.040 2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.264 -12.152 0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.672 -13.135 1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.109 -11.542 -0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.707 -10.548 -0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.611 -12.481 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.005 -13.484 -1.164 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.214 -12.433 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.285 -10.547 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.441 -9.567 -3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.377 -11.207 -4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.193 -9.941 -5.107 1.00 0.00 H new ATOM 548 N PRO A 61 -5.066 -12.838 4.190 1.00 0.00 N ATOM 549 CA PRO A 61 -4.663 -13.594 5.361 1.00 0.00 C ATOM 550 C PRO A 61 -3.414 -14.412 5.038 1.00 0.00 C ATOM 551 O PRO A 61 -3.236 -14.874 3.912 1.00 0.00 O ATOM 552 CB PRO A 61 -5.836 -14.499 5.729 1.00 0.00 C ATOM 553 CG PRO A 61 -7.034 -13.861 5.021 1.00 0.00 C ATOM 554 CD PRO A 61 -6.425 -13.169 3.800 1.00 0.00 C ATOM 0 HA PRO A 61 -4.417 -12.940 6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.672 -15.522 5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.985 -14.540 6.808 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.769 -14.611 4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.546 -13.149 5.668 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.436 -13.824 2.929 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.987 -12.274 3.533 1.00 0.00 H new ATOM 562 N GLY A 62 -2.560 -14.592 6.039 1.00 0.00 N ATOM 563 CA GLY A 62 -1.295 -15.291 5.882 1.00 0.00 C ATOM 564 C GLY A 62 -0.248 -14.451 5.141 1.00 0.00 C ATOM 565 O GLY A 62 0.644 -15.018 4.508 1.00 0.00 O ATOM 0 H GLY A 62 -2.729 -14.254 6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.909 -15.562 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.462 -16.220 5.337 1.00 0.00 H new ATOM 569 N TYR A 63 -0.349 -13.112 5.174 1.00 0.00 N ATOM 570 CA TYR A 63 0.647 -12.222 4.618 1.00 0.00 C ATOM 571 C TYR A 63 0.950 -11.116 5.623 1.00 0.00 C ATOM 572 O TYR A 63 0.030 -10.495 6.153 1.00 0.00 O ATOM 573 CB TYR A 63 0.198 -11.627 3.279 1.00 0.00 C ATOM 574 CG TYR A 63 0.288 -12.577 2.103 1.00 0.00 C ATOM 575 CD1 TYR A 63 -0.747 -13.497 1.864 1.00 0.00 C ATOM 576 CD2 TYR A 63 1.344 -12.458 1.180 1.00 0.00 C ATOM 577 CE1 TYR A 63 -0.715 -14.315 0.722 1.00 0.00 C ATOM 578 CE2 TYR A 63 1.376 -13.275 0.038 1.00 0.00 C ATOM 579 CZ TYR A 63 0.351 -14.207 -0.187 1.00 0.00 C ATOM 580 OH TYR A 63 0.387 -14.992 -1.300 1.00 0.00 O ATOM 0 H TYR A 63 -1.140 -12.625 5.596 1.00 0.00 H new ATOM 0 HA TYR A 63 1.551 -12.798 4.422 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.833 -11.286 3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.806 -10.748 3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.569 -13.576 2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.131 -11.738 1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.508 -15.026 0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.189 -13.186 -0.667 1.00 0.00 H new ATOM 0 HH TYR A 63 1.192 -14.787 -1.819 1.00 0.00 H new ATOM 590 N GLU A 64 2.237 -10.869 5.876 1.00 0.00 N ATOM 591 CA GLU A 64 2.695 -9.779 6.716 1.00 0.00 C ATOM 592 C GLU A 64 2.907 -8.597 5.781 1.00 0.00 C ATOM 593 O GLU A 64 3.502 -8.769 4.717 1.00 0.00 O ATOM 594 CB GLU A 64 4.021 -10.136 7.404 1.00 0.00 C ATOM 595 CG GLU A 64 4.493 -9.026 8.361 1.00 0.00 C ATOM 596 CD GLU A 64 5.986 -9.122 8.657 1.00 0.00 C ATOM 597 OE1 GLU A 64 6.754 -8.603 7.816 1.00 0.00 O ATOM 598 OE2 GLU A 64 6.326 -9.693 9.715 1.00 0.00 O ATOM 0 H GLU A 64 2.996 -11.434 5.494 1.00 0.00 H new ATOM 0 HA GLU A 64 1.971 -9.561 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.902 -11.067 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.786 -10.312 6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.272 -8.052 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.934 -9.090 9.294 1.00 0.00 H new ATOM 605 N LEU A 65 2.444 -7.420 6.201 1.00 0.00 N ATOM 606 CA LEU A 65 2.603 -6.143 5.524 1.00 0.00 C ATOM 607 C LEU A 65 3.827 -5.497 6.187 1.00 0.00 C ATOM 608 O LEU A 65 3.813 -5.264 7.395 1.00 0.00 O ATOM 609 CB LEU A 65 1.266 -5.390 5.717 1.00 0.00 C ATOM 610 CG LEU A 65 1.043 -3.993 5.112 1.00 0.00 C ATOM 611 CD1 LEU A 65 1.998 -2.947 5.670 1.00 0.00 C ATOM 612 CD2 LEU A 65 1.074 -3.936 3.583 1.00 0.00 C ATOM 0 H LEU A 65 1.920 -7.332 7.071 1.00 0.00 H new ATOM 0 HA LEU A 65 2.788 -6.174 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.478 -6.035 5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.103 -5.301 6.791 1.00 0.00 H new ATOM 0 HG LEU A 65 0.024 -3.757 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.793 -1.982 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.861 -2.867 6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.025 -3.241 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.907 -2.910 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.045 -4.278 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.292 -4.579 3.179 1.00 0.00 H new ATOM 624 N GLN A 66 4.913 -5.290 5.435 1.00 0.00 N ATOM 625 CA GLN A 66 6.178 -4.805 5.980 1.00 0.00 C ATOM 626 C GLN A 66 6.103 -3.343 6.422 1.00 0.00 C ATOM 627 O GLN A 66 5.268 -2.570 5.958 1.00 0.00 O ATOM 628 CB GLN A 66 7.319 -4.985 4.962 1.00 0.00 C ATOM 629 CG GLN A 66 7.822 -6.431 4.857 1.00 0.00 C ATOM 630 CD GLN A 66 6.764 -7.357 4.280 1.00 0.00 C ATOM 631 OE1 GLN A 66 6.474 -7.298 3.091 1.00 0.00 O ATOM 632 NE2 GLN A 66 6.165 -8.200 5.112 1.00 0.00 N ATOM 0 H GLN A 66 4.936 -5.456 4.429 1.00 0.00 H new ATOM 0 HA GLN A 66 6.385 -5.407 6.865 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.976 -4.656 3.981 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.151 -4.339 5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.713 -6.461 4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.116 -6.786 5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.432 -8.222 6.096 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.437 -8.826 4.767 1.00 0.00 H new ATOM 641 N GLU A 67 7.069 -2.942 7.252 1.00 0.00 N ATOM 642 CA GLU A 67 7.213 -1.607 7.822 1.00 0.00 C ATOM 643 C GLU A 67 7.324 -0.481 6.780 1.00 0.00 C ATOM 644 O GLU A 67 7.296 0.688 7.152 1.00 0.00 O ATOM 645 CB GLU A 67 8.423 -1.568 8.771 1.00 0.00 C ATOM 646 CG GLU A 67 8.407 -2.662 9.853 1.00 0.00 C ATOM 647 CD GLU A 67 9.217 -3.898 9.461 1.00 0.00 C ATOM 648 OE1 GLU A 67 8.704 -4.676 8.627 1.00 0.00 O ATOM 649 OE2 GLU A 67 10.343 -4.032 9.987 1.00 0.00 O ATOM 0 H GLU A 67 7.808 -3.575 7.558 1.00 0.00 H new ATOM 0 HA GLU A 67 6.290 -1.415 8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.336 -1.666 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.460 -0.593 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.804 -2.253 10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.376 -2.957 10.050 1.00 0.00 H new ATOM 656 N ASP A 68 7.469 -0.806 5.489 1.00 0.00 N ATOM 657 CA ASP A 68 7.481 0.191 4.424 1.00 0.00 C ATOM 658 C ASP A 68 6.059 0.726 4.236 1.00 0.00 C ATOM 659 O ASP A 68 5.871 1.843 3.769 1.00 0.00 O ATOM 660 CB ASP A 68 8.059 -0.390 3.124 1.00 0.00 C ATOM 661 CG ASP A 68 7.096 -1.292 2.354 1.00 0.00 C ATOM 662 OD1 ASP A 68 6.322 -2.031 3.003 1.00 0.00 O ATOM 663 OD2 ASP A 68 7.143 -1.245 1.108 1.00 0.00 O ATOM 0 H ASP A 68 7.581 -1.765 5.160 1.00 0.00 H new ATOM 0 HA ASP A 68 8.133 1.019 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.364 0.432 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.958 -0.958 3.362 1.00 0.00 H new ATOM 668 N ARG A 69 5.077 -0.096 4.627 1.00 0.00 N ATOM 669 CA ARG A 69 3.652 0.159 4.644 1.00 0.00 C ATOM 670 C ARG A 69 2.993 -0.050 3.283 1.00 0.00 C ATOM 671 O ARG A 69 1.936 0.522 3.013 1.00 0.00 O ATOM 672 CB ARG A 69 3.356 1.535 5.249 1.00 0.00 C ATOM 673 CG ARG A 69 2.228 1.439 6.284 1.00 0.00 C ATOM 674 CD ARG A 69 1.258 2.619 6.185 1.00 0.00 C ATOM 675 NE ARG A 69 0.491 2.574 4.931 1.00 0.00 N ATOM 676 CZ ARG A 69 -0.580 3.342 4.684 1.00 0.00 C ATOM 677 NH1 ARG A 69 -0.980 4.274 5.555 1.00 0.00 N ATOM 678 NH2 ARG A 69 -1.284 3.180 3.565 1.00 0.00 N ATOM 0 H ARG A 69 5.290 -1.034 4.967 1.00 0.00 H new ATOM 0 HA ARG A 69 3.194 -0.587 5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.255 1.932 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.074 2.232 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.681 0.507 6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.657 1.405 7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.574 2.603 7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.813 3.555 6.241 1.00 0.00 H new ATOM 0 HE ARG A 69 0.791 1.921 4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.468 4.411 6.426 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.797 4.848 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.010 2.468 2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.097 3.768 3.385 1.00 0.00 H new ATOM 692 N HIS A 70 3.599 -0.906 2.454 1.00 0.00 N ATOM 693 CA HIS A 70 3.128 -1.188 1.103 1.00 0.00 C ATOM 694 C HIS A 70 3.415 -2.622 0.679 1.00 0.00 C ATOM 695 O HIS A 70 2.569 -3.272 0.063 1.00 0.00 O ATOM 696 CB HIS A 70 3.812 -0.248 0.102 1.00 0.00 C ATOM 697 CG HIS A 70 3.521 1.211 0.314 1.00 0.00 C ATOM 698 ND1 HIS A 70 4.384 2.025 1.042 1.00 0.00 N ATOM 699 CD2 HIS A 70 2.480 1.968 -0.146 1.00 0.00 C ATOM 700 CE1 HIS A 70 3.825 3.237 1.007 1.00 0.00 C ATOM 701 NE2 HIS A 70 2.695 3.260 0.282 1.00 0.00 N ATOM 0 H HIS A 70 4.439 -1.426 2.709 1.00 0.00 H new ATOM 0 HA HIS A 70 2.049 -1.035 1.108 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.890 -0.402 0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.502 -0.524 -0.906 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.645 1.619 -0.735 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.236 4.102 1.506 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.111 4.073 0.087 1.00 0.00 H new ATOM 709 N SER A 71 4.625 -3.099 0.971 1.00 0.00 N ATOM 710 CA SER A 71 5.062 -4.420 0.538 1.00 0.00 C ATOM 711 C SER A 71 4.525 -5.510 1.461 1.00 0.00 C ATOM 712 O SER A 71 4.422 -5.290 2.668 1.00 0.00 O ATOM 713 CB SER A 71 6.591 -4.478 0.489 1.00 0.00 C ATOM 714 OG SER A 71 7.081 -3.503 -0.410 1.00 0.00 O ATOM 0 H SER A 71 5.322 -2.584 1.509 1.00 0.00 H new ATOM 0 HA SER A 71 4.664 -4.597 -0.461 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.002 -4.307 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.916 -5.470 0.176 1.00 0.00 H new ATOM 0 HG SER A 71 7.140 -2.638 0.046 1.00 0.00 H new ATOM 720 N CYS A 72 4.201 -6.677 0.891 1.00 0.00 N ATOM 721 CA CYS A 72 3.749 -7.842 1.645 1.00 0.00 C ATOM 722 C CYS A 72 4.575 -9.077 1.330 1.00 0.00 C ATOM 723 O CYS A 72 5.099 -9.225 0.224 1.00 0.00 O ATOM 724 CB CYS A 72 2.266 -8.112 1.423 1.00 0.00 C ATOM 725 SG CYS A 72 1.265 -6.996 2.400 1.00 0.00 S ATOM 0 H CYS A 72 4.247 -6.836 -0.116 1.00 0.00 H new ATOM 0 HA CYS A 72 3.894 -7.609 2.700 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.024 -7.995 0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.035 -9.143 1.690 1.00 0.00 H new ATOM 730 N GLN A 73 4.690 -9.964 2.319 1.00 0.00 N ATOM 731 CA GLN A 73 5.317 -11.277 2.186 1.00 0.00 C ATOM 732 C GLN A 73 4.392 -12.282 2.855 1.00 0.00 C ATOM 733 O GLN A 73 3.567 -11.899 3.677 1.00 0.00 O ATOM 734 CB GLN A 73 6.701 -11.346 2.838 1.00 0.00 C ATOM 735 CG GLN A 73 7.742 -10.400 2.225 1.00 0.00 C ATOM 736 CD GLN A 73 8.240 -10.893 0.871 1.00 0.00 C ATOM 737 OE1 GLN A 73 9.270 -11.552 0.786 1.00 0.00 O ATOM 738 NE2 GLN A 73 7.521 -10.588 -0.204 1.00 0.00 N ATOM 0 H GLN A 73 4.340 -9.783 3.260 1.00 0.00 H new ATOM 0 HA GLN A 73 5.465 -11.490 1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.601 -11.117 3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.072 -12.369 2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.306 -9.408 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.587 -10.301 2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.667 -10.038 -0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.823 -10.904 -1.126 1.00 0.00 H new ATOM 747 N ALA A 74 4.538 -13.556 2.502 1.00 0.00 N ATOM 748 CA ALA A 74 3.697 -14.638 3.003 1.00 0.00 C ATOM 749 C ALA A 74 4.181 -15.068 4.386 1.00 0.00 C ATOM 750 O ALA A 74 5.321 -15.513 4.508 1.00 0.00 O ATOM 751 CB ALA A 74 3.726 -15.808 2.016 1.00 0.00 C ATOM 0 H ALA A 74 5.256 -13.870 1.849 1.00 0.00 H new ATOM 0 HA ALA A 74 2.667 -14.294 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.098 -16.616 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.351 -15.476 1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.750 -16.166 1.906 1.00 0.00 H new ATOM 757 N GLU A 75 3.339 -14.913 5.411 1.00 0.00 N ATOM 758 CA GLU A 75 3.625 -15.257 6.794 1.00 0.00 C ATOM 759 C GLU A 75 2.286 -15.538 7.476 1.00 0.00 C ATOM 760 O GLU A 75 1.446 -14.612 7.445 1.00 0.00 O ATOM 761 CB GLU A 75 4.330 -14.096 7.512 1.00 0.00 C ATOM 762 CG GLU A 75 5.691 -13.725 6.902 1.00 0.00 C ATOM 763 CD GLU A 75 6.443 -12.683 7.723 1.00 0.00 C ATOM 764 OE1 GLU A 75 6.517 -12.866 8.957 1.00 0.00 O ATOM 765 OE2 GLU A 75 6.941 -11.722 7.097 1.00 0.00 O ATOM 766 OXT GLU A 75 2.122 -16.660 8.001 1.00 0.00 O ATOM 0 H GLU A 75 2.402 -14.528 5.288 1.00 0.00 H new ATOM 0 HA GLU A 75 4.284 -16.125 6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.682 -13.220 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.472 -14.361 8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.302 -14.623 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.540 -13.345 5.892 1.00 0.00 H new TER 773 GLU A 75