USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 556 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 71 LYS NZ :NH3+ -135:sc= 2.06 (180deg=0.024) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.983 K(o=3,f=-9.9!) USER MOD Set 2.1: A 37 ASN : amide:sc= -0.1 K(o=-1.4,f=-6.6!) USER MOD Set 2.2: A 42 GLN : amide:sc= -1.27! C(o=-1.4!,f=-5.1!) USER MOD Set 3.1: A 32 GLN : amide:sc= -1.46! X(o=-0.88!,f=-0.47) USER MOD Set 3.2: A 46 SER OG : rot 40:sc= 0.58 USER MOD Set 4.1: A 1 MET N :NH3+ -160:sc= 2.92 (180deg=0.731) USER MOD Set 4.2: A 3 GLN : amide:sc= 0.986 K(o=2.5,f=-3.7) USER MOD Set 4.3: A 48 HIS : no HD1:sc= -1.94 K(o=2.5,f=-1.6!) USER MOD Set 4.4: A 52 THR OG1 : rot -77:sc= 0.549 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 150:sc= -0.0324 USER MOD Single : A 6 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.0066) USER MOD Single : A 8 GLN : amide:sc= -0.535 K(o=-0.53,f=-2!) USER MOD Single : A 12 MET CE :methyl 175:sc= -0.239 (180deg=-0.325) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.181 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0114 USER MOD Single : A 19 SER OG : rot 78:sc= 1.22 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.0594 (180deg=-0.351) USER MOD Single : A 33 SER OG : rot 29:sc= 1.23 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.224 USER MOD Single : A 35 GLN : amide:sc= 0.969 K(o=0.97,f=-0.0026) USER MOD Single : A 47 TYR OH : rot 150:sc= 0.666 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 165:sc= 0.462 USER MOD Single : A 66 HIS : no HD1:sc= -0.0586 K(o=-0.059,f=-2.5!) USER MOD Single : A 72 GLN : amide:sc= -0.416 K(o=-0.42,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.250 -9.743 -7.793 1.00 7.13 N ATOM 2 CA MET A 1 -9.597 -11.059 -7.954 1.00 6.10 C ATOM 3 C MET A 1 -8.141 -10.966 -7.507 1.00 4.87 C ATOM 4 O MET A 1 -7.699 -9.897 -7.104 1.00 5.25 O ATOM 5 CB MET A 1 -9.707 -11.560 -9.407 1.00 6.20 C ATOM 6 CG MET A 1 -11.155 -11.886 -9.778 1.00 7.34 C ATOM 7 SD MET A 1 -11.917 -13.135 -8.708 1.00 8.52 S ATOM 8 CE MET A 1 -11.118 -14.647 -9.319 1.00 7.97 C ATOM 0 H1 MET A 1 -11.282 -9.869 -7.765 1.00 7.13 H new ATOM 0 H2 MET A 1 -9.931 -9.303 -6.906 1.00 7.13 H new ATOM 0 H3 MET A 1 -9.997 -9.130 -8.594 1.00 7.13 H new ATOM 0 HA MET A 1 -10.110 -11.787 -7.325 1.00 6.10 H new ATOM 0 HB2 MET A 1 -9.318 -10.801 -10.085 1.00 6.20 H new ATOM 0 HB3 MET A 1 -9.088 -12.448 -9.535 1.00 6.20 H new ATOM 0 HG2 MET A 1 -11.747 -10.972 -9.733 1.00 7.34 H new ATOM 0 HG3 MET A 1 -11.187 -12.236 -10.810 1.00 7.34 H new ATOM 0 HE1 MET A 1 -11.485 -15.505 -8.757 1.00 7.97 H new ATOM 0 HE2 MET A 1 -11.350 -14.779 -10.376 1.00 7.97 H new ATOM 0 HE3 MET A 1 -10.039 -14.565 -9.192 1.00 7.97 H new ATOM 20 N ALA A 2 -7.371 -12.058 -7.587 1.00 3.95 N ATOM 21 CA ALA A 2 -5.913 -11.993 -7.467 1.00 2.96 C ATOM 22 C ALA A 2 -5.347 -11.115 -8.602 1.00 2.07 C ATOM 23 O ALA A 2 -5.342 -11.526 -9.759 1.00 2.55 O ATOM 24 CB ALA A 2 -5.361 -13.425 -7.491 1.00 3.27 C ATOM 0 H ALA A 2 -7.737 -12.999 -7.735 1.00 3.95 H new ATOM 0 HA ALA A 2 -5.609 -11.533 -6.527 1.00 2.96 H new ATOM 0 HB1 ALA A 2 -4.275 -13.398 -7.403 1.00 3.27 H new ATOM 0 HB2 ALA A 2 -5.779 -13.990 -6.658 1.00 3.27 H new ATOM 0 HB3 ALA A 2 -5.637 -13.906 -8.430 1.00 3.27 H new ATOM 30 N GLN A 3 -4.947 -9.883 -8.287 1.00 1.50 N ATOM 31 CA GLN A 3 -4.519 -8.869 -9.254 1.00 0.95 C ATOM 32 C GLN A 3 -3.599 -7.882 -8.524 1.00 0.88 C ATOM 33 O GLN A 3 -4.058 -6.942 -7.873 1.00 1.27 O ATOM 34 CB GLN A 3 -5.736 -8.232 -9.977 1.00 1.35 C ATOM 35 CG GLN A 3 -6.678 -7.372 -9.110 1.00 1.86 C ATOM 36 CD GLN A 3 -8.113 -7.310 -9.641 1.00 3.17 C ATOM 37 OE1 GLN A 3 -8.827 -8.304 -9.685 1.00 3.68 O ATOM 38 NE2 GLN A 3 -8.625 -6.162 -10.031 1.00 4.39 N ATOM 0 H GLN A 3 -4.910 -9.552 -7.323 1.00 1.50 H new ATOM 0 HA GLN A 3 -3.941 -9.308 -10.067 1.00 0.95 H new ATOM 0 HB2 GLN A 3 -5.363 -7.613 -10.793 1.00 1.35 H new ATOM 0 HB3 GLN A 3 -6.323 -9.033 -10.427 1.00 1.35 H new ATOM 0 HG2 GLN A 3 -6.692 -7.772 -8.096 1.00 1.86 H new ATOM 0 HG3 GLN A 3 -6.278 -6.360 -9.048 1.00 1.86 H new ATOM 0 HE21 GLN A 3 -8.056 -5.315 -10.007 1.00 4.39 H new ATOM 0 HE22 GLN A 3 -9.590 -6.119 -10.358 1.00 4.39 H new ATOM 47 N THR A 4 -2.289 -8.164 -8.533 1.00 0.84 N ATOM 48 CA THR A 4 -1.338 -7.492 -7.641 1.00 0.84 C ATOM 49 C THR A 4 -0.713 -6.286 -8.322 1.00 0.99 C ATOM 50 O THR A 4 -0.076 -6.378 -9.368 1.00 1.48 O ATOM 51 CB THR A 4 -0.325 -8.477 -7.034 1.00 0.90 C ATOM 52 OG1 THR A 4 0.422 -7.769 -6.089 1.00 1.08 O ATOM 53 CG2 THR A 4 0.646 -9.123 -8.024 1.00 1.22 C ATOM 0 H THR A 4 -1.864 -8.855 -9.151 1.00 0.84 H new ATOM 0 HA THR A 4 -1.884 -7.097 -6.784 1.00 0.84 H new ATOM 0 HB THR A 4 -0.905 -9.301 -6.619 1.00 0.90 H new ATOM 0 HG1 THR A 4 0.709 -8.377 -5.376 1.00 1.08 H new ATOM 0 HG21 THR A 4 1.314 -9.798 -7.490 1.00 1.22 H new ATOM 0 HG22 THR A 4 0.084 -9.684 -8.771 1.00 1.22 H new ATOM 0 HG23 THR A 4 1.232 -8.348 -8.517 1.00 1.22 H new ATOM 61 N ILE A 5 -0.913 -5.130 -7.704 1.00 0.69 N ATOM 62 CA ILE A 5 -0.313 -3.862 -8.104 1.00 0.72 C ATOM 63 C ILE A 5 1.077 -3.814 -7.477 1.00 0.56 C ATOM 64 O ILE A 5 1.196 -4.042 -6.273 1.00 0.49 O ATOM 65 CB ILE A 5 -1.187 -2.675 -7.626 1.00 0.88 C ATOM 66 CG1 ILE A 5 -2.688 -2.823 -7.976 1.00 1.22 C ATOM 67 CG2 ILE A 5 -0.630 -1.347 -8.170 1.00 0.95 C ATOM 68 CD1 ILE A 5 -3.005 -3.027 -9.464 1.00 1.33 C ATOM 0 H ILE A 5 -1.515 -5.045 -6.885 1.00 0.69 H new ATOM 0 HA ILE A 5 -0.243 -3.784 -9.189 1.00 0.72 H new ATOM 0 HB ILE A 5 -1.134 -2.676 -6.537 1.00 0.88 H new ATOM 0 HG12 ILE A 5 -3.091 -3.668 -7.418 1.00 1.22 H new ATOM 0 HG13 ILE A 5 -3.213 -1.933 -7.630 1.00 1.22 H new ATOM 0 HG21 ILE A 5 -1.254 -0.522 -7.826 1.00 0.95 H new ATOM 0 HG22 ILE A 5 0.389 -1.205 -7.810 1.00 0.95 H new ATOM 0 HG23 ILE A 5 -0.630 -1.372 -9.260 1.00 0.95 H new ATOM 0 HD11 ILE A 5 -4.083 -3.119 -9.597 1.00 1.33 H new ATOM 0 HD12 ILE A 5 -2.640 -2.173 -10.034 1.00 1.33 H new ATOM 0 HD13 ILE A 5 -2.517 -3.935 -9.819 1.00 1.33 H new ATOM 80 N ASN A 6 2.090 -3.518 -8.288 1.00 0.64 N ATOM 81 CA ASN A 6 3.449 -3.198 -7.852 1.00 0.53 C ATOM 82 C ASN A 6 3.795 -1.766 -8.288 1.00 0.47 C ATOM 83 O ASN A 6 3.605 -1.394 -9.449 1.00 0.68 O ATOM 84 CB ASN A 6 4.457 -4.231 -8.383 1.00 0.66 C ATOM 85 CG ASN A 6 4.510 -4.307 -9.904 1.00 0.94 C ATOM 86 OD1 ASN A 6 5.418 -3.791 -10.537 1.00 2.05 O ATOM 87 ND2 ASN A 6 3.538 -4.951 -10.529 1.00 1.07 N ATOM 0 H ASN A 6 1.985 -3.493 -9.302 1.00 0.64 H new ATOM 0 HA ASN A 6 3.506 -3.247 -6.765 1.00 0.53 H new ATOM 0 HB2 ASN A 6 5.449 -3.985 -8.005 1.00 0.66 H new ATOM 0 HB3 ASN A 6 4.200 -5.214 -7.987 1.00 0.66 H new ATOM 0 HD21 ASN A 6 3.543 -5.019 -11.547 1.00 1.07 H new ATOM 0 HD22 ASN A 6 2.783 -5.379 -9.993 1.00 1.07 H new ATOM 94 N LEU A 7 4.223 -0.940 -7.332 1.00 0.42 N ATOM 95 CA LEU A 7 4.300 0.514 -7.480 1.00 0.46 C ATOM 96 C LEU A 7 5.292 1.129 -6.479 1.00 0.50 C ATOM 97 O LEU A 7 5.750 0.454 -5.566 1.00 0.56 O ATOM 98 CB LEU A 7 2.864 1.098 -7.432 1.00 0.55 C ATOM 99 CG LEU A 7 2.321 1.554 -6.059 1.00 0.53 C ATOM 100 CD1 LEU A 7 0.928 2.163 -6.259 1.00 0.66 C ATOM 101 CD2 LEU A 7 2.207 0.390 -5.065 1.00 0.58 C ATOM 0 H LEU A 7 4.531 -1.269 -6.417 1.00 0.42 H new ATOM 0 HA LEU A 7 4.714 0.783 -8.452 1.00 0.46 H new ATOM 0 HB2 LEU A 7 2.826 1.952 -8.108 1.00 0.55 H new ATOM 0 HB3 LEU A 7 2.182 0.346 -7.830 1.00 0.55 H new ATOM 0 HG LEU A 7 3.021 2.281 -5.647 1.00 0.53 H new ATOM 0 HD11 LEU A 7 0.532 2.489 -5.297 1.00 0.66 H new ATOM 0 HD12 LEU A 7 0.998 3.018 -6.932 1.00 0.66 H new ATOM 0 HD13 LEU A 7 0.262 1.415 -6.690 1.00 0.66 H new ATOM 0 HD21 LEU A 7 1.821 0.759 -4.115 1.00 0.58 H new ATOM 0 HD22 LEU A 7 1.528 -0.364 -5.464 1.00 0.58 H new ATOM 0 HD23 LEU A 7 3.191 -0.053 -4.909 1.00 0.58 H new ATOM 113 N GLN A 8 5.637 2.401 -6.649 1.00 0.53 N ATOM 114 CA GLN A 8 6.488 3.182 -5.752 1.00 0.58 C ATOM 115 C GLN A 8 5.692 4.101 -4.833 1.00 0.57 C ATOM 116 O GLN A 8 4.611 4.576 -5.173 1.00 0.73 O ATOM 117 CB GLN A 8 7.565 3.943 -6.538 1.00 0.68 C ATOM 118 CG GLN A 8 8.854 3.118 -6.553 1.00 0.69 C ATOM 119 CD GLN A 8 9.916 3.756 -7.438 1.00 0.78 C ATOM 120 OE1 GLN A 8 9.889 3.655 -8.654 1.00 1.05 O ATOM 121 NE2 GLN A 8 10.878 4.458 -6.880 1.00 0.90 N ATOM 0 H GLN A 8 5.317 2.942 -7.452 1.00 0.53 H new ATOM 0 HA GLN A 8 6.994 2.473 -5.096 1.00 0.58 H new ATOM 0 HB2 GLN A 8 7.226 4.128 -7.557 1.00 0.68 H new ATOM 0 HB3 GLN A 8 7.747 4.916 -6.081 1.00 0.68 H new ATOM 0 HG2 GLN A 8 9.236 3.021 -5.537 1.00 0.69 H new ATOM 0 HG3 GLN A 8 8.638 2.111 -6.910 1.00 0.69 H new ATOM 0 HE21 GLN A 8 10.917 4.554 -5.865 1.00 0.90 H new ATOM 0 HE22 GLN A 8 11.585 4.907 -7.462 1.00 0.90 H new ATOM 130 N LEU A 9 6.249 4.321 -3.640 1.00 0.44 N ATOM 131 CA LEU A 9 5.527 4.811 -2.470 1.00 0.38 C ATOM 132 C LEU A 9 6.185 6.096 -1.948 1.00 0.52 C ATOM 133 O LEU A 9 7.271 6.093 -1.371 1.00 0.83 O ATOM 134 CB LEU A 9 5.481 3.655 -1.456 1.00 0.43 C ATOM 135 CG LEU A 9 4.390 3.799 -0.383 1.00 0.69 C ATOM 136 CD1 LEU A 9 4.000 2.394 0.093 1.00 1.85 C ATOM 137 CD2 LEU A 9 4.842 4.644 0.816 1.00 1.33 C ATOM 0 H LEU A 9 7.240 4.158 -3.459 1.00 0.44 H new ATOM 0 HA LEU A 9 4.500 5.098 -2.697 1.00 0.38 H new ATOM 0 HB2 LEU A 9 5.324 2.721 -1.995 1.00 0.43 H new ATOM 0 HB3 LEU A 9 6.451 3.580 -0.964 1.00 0.43 H new ATOM 0 HG LEU A 9 3.541 4.318 -0.828 1.00 0.69 H new ATOM 0 HD11 LEU A 9 3.226 2.470 0.856 1.00 1.85 H new ATOM 0 HD12 LEU A 9 3.622 1.816 -0.750 1.00 1.85 H new ATOM 0 HD13 LEU A 9 4.874 1.896 0.512 1.00 1.85 H new ATOM 0 HD21 LEU A 9 4.031 4.711 1.541 1.00 1.33 H new ATOM 0 HD22 LEU A 9 5.709 4.177 1.284 1.00 1.33 H new ATOM 0 HD23 LEU A 9 5.108 5.645 0.476 1.00 1.33 H new ATOM 149 N GLU A 10 5.523 7.207 -2.225 1.00 0.54 N ATOM 150 CA GLU A 10 6.093 8.539 -2.353 1.00 0.65 C ATOM 151 C GLU A 10 5.900 9.371 -1.082 1.00 0.70 C ATOM 152 O GLU A 10 4.893 9.249 -0.390 1.00 0.66 O ATOM 153 CB GLU A 10 5.401 9.164 -3.565 1.00 0.94 C ATOM 154 CG GLU A 10 5.898 10.546 -3.973 1.00 1.45 C ATOM 155 CD GLU A 10 5.374 10.806 -5.378 1.00 2.10 C ATOM 156 OE1 GLU A 10 4.201 11.226 -5.491 1.00 3.16 O ATOM 157 OE2 GLU A 10 6.125 10.443 -6.312 1.00 2.84 O ATOM 0 H GLU A 10 4.514 7.204 -2.375 1.00 0.54 H new ATOM 0 HA GLU A 10 7.173 8.499 -2.493 1.00 0.65 H new ATOM 0 HB2 GLU A 10 5.519 8.491 -4.414 1.00 0.94 H new ATOM 0 HB3 GLU A 10 4.333 9.230 -3.356 1.00 0.94 H new ATOM 0 HG2 GLU A 10 5.538 11.306 -3.280 1.00 1.45 H new ATOM 0 HG3 GLU A 10 6.987 10.586 -3.953 1.00 1.45 H new ATOM 164 N GLY A 11 6.892 10.199 -0.745 1.00 1.20 N ATOM 165 CA GLY A 11 6.937 10.938 0.523 1.00 1.50 C ATOM 166 C GLY A 11 7.485 10.110 1.690 1.00 1.37 C ATOM 167 O GLY A 11 7.894 10.696 2.693 1.00 1.66 O ATOM 0 H GLY A 11 7.694 10.378 -1.349 1.00 1.20 H new ATOM 0 HA2 GLY A 11 7.555 11.827 0.396 1.00 1.50 H new ATOM 0 HA3 GLY A 11 5.933 11.281 0.771 1.00 1.50 H new ATOM 171 N MET A 12 7.546 8.776 1.546 1.00 1.18 N ATOM 172 CA MET A 12 8.101 7.846 2.542 1.00 1.12 C ATOM 173 C MET A 12 9.453 8.328 3.091 1.00 1.14 C ATOM 174 O MET A 12 10.298 8.785 2.315 1.00 2.05 O ATOM 175 CB MET A 12 8.124 6.404 1.991 1.00 1.45 C ATOM 176 CG MET A 12 9.376 5.999 1.196 1.00 1.97 C ATOM 177 SD MET A 12 10.799 5.563 2.238 1.00 2.88 S ATOM 178 CE MET A 12 12.028 5.170 0.976 1.00 4.12 C ATOM 0 H MET A 12 7.201 8.302 0.711 1.00 1.18 H new ATOM 0 HA MET A 12 7.439 7.831 3.408 1.00 1.12 H new ATOM 0 HB2 MET A 12 8.013 5.716 2.829 1.00 1.45 H new ATOM 0 HB3 MET A 12 7.253 6.269 1.350 1.00 1.45 H new ATOM 0 HG2 MET A 12 9.131 5.149 0.559 1.00 1.97 H new ATOM 0 HG3 MET A 12 9.658 6.821 0.538 1.00 1.97 H new ATOM 0 HE1 MET A 12 12.987 4.968 1.453 1.00 4.12 H new ATOM 0 HE2 MET A 12 11.708 4.290 0.418 1.00 4.12 H new ATOM 0 HE3 MET A 12 12.132 6.014 0.294 1.00 4.12 H new ATOM 188 N ARG A 13 9.641 8.251 4.419 1.00 1.02 N ATOM 189 CA ARG A 13 10.876 8.702 5.094 1.00 1.35 C ATOM 190 C ARG A 13 11.045 8.321 6.574 1.00 1.32 C ATOM 191 O ARG A 13 12.183 8.302 7.037 1.00 2.16 O ATOM 192 CB ARG A 13 11.054 10.234 4.931 1.00 1.96 C ATOM 193 CG ARG A 13 12.115 10.624 3.880 1.00 2.75 C ATOM 194 CD ARG A 13 11.563 11.618 2.848 1.00 3.22 C ATOM 195 NE ARG A 13 12.528 11.874 1.761 1.00 4.22 N ATOM 196 CZ ARG A 13 12.708 11.124 0.675 1.00 5.30 C ATOM 197 NH1 ARG A 13 12.086 9.977 0.492 1.00 5.88 N ATOM 198 NH2 ARG A 13 13.527 11.538 -0.270 1.00 6.41 N ATOM 0 H ARG A 13 8.941 7.874 5.058 1.00 1.02 H new ATOM 0 HA ARG A 13 11.659 8.145 4.580 1.00 1.35 H new ATOM 0 HB2 ARG A 13 10.097 10.675 4.650 1.00 1.96 H new ATOM 0 HB3 ARG A 13 11.333 10.663 5.893 1.00 1.96 H new ATOM 0 HG2 ARG A 13 12.978 11.063 4.381 1.00 2.75 H new ATOM 0 HG3 ARG A 13 12.466 9.728 3.369 1.00 2.75 H new ATOM 0 HD2 ARG A 13 10.637 11.227 2.427 1.00 3.22 H new ATOM 0 HD3 ARG A 13 11.317 12.557 3.344 1.00 3.22 H new ATOM 0 HE ARG A 13 13.113 12.705 1.850 1.00 4.22 H new ATOM 0 HH11 ARG A 13 11.436 9.631 1.198 1.00 5.88 H new ATOM 0 HH12 ARG A 13 12.254 9.435 -0.356 1.00 5.88 H new ATOM 0 HH21 ARG A 13 14.017 12.426 -0.167 1.00 6.41 H new ATOM 0 HH22 ARG A 13 13.671 10.970 -1.105 1.00 6.41 H new ATOM 212 N CYS A 14 9.985 8.043 7.349 1.00 1.31 N ATOM 213 CA CYS A 14 10.126 7.726 8.782 1.00 1.55 C ATOM 214 C CYS A 14 8.901 7.033 9.417 1.00 1.79 C ATOM 215 O CYS A 14 7.863 6.863 8.774 1.00 2.73 O ATOM 216 CB CYS A 14 10.515 9.014 9.543 1.00 2.09 C ATOM 217 SG CYS A 14 11.563 8.588 10.963 1.00 3.31 S ATOM 0 H CYS A 14 9.023 8.031 7.010 1.00 1.31 H new ATOM 0 HA CYS A 14 10.918 6.982 8.867 1.00 1.55 H new ATOM 0 HB2 CYS A 14 11.045 9.695 8.878 1.00 2.09 H new ATOM 0 HB3 CYS A 14 9.619 9.533 9.882 1.00 2.09 H new ATOM 0 HG CYS A 14 11.891 9.672 11.601 1.00 3.31 H new ATOM 223 N ALA A 15 9.057 6.672 10.697 1.00 1.90 N ATOM 224 CA ALA A 15 8.046 6.140 11.618 1.00 2.49 C ATOM 225 C ALA A 15 7.487 4.758 11.208 1.00 1.72 C ATOM 226 O ALA A 15 7.943 4.127 10.258 1.00 2.25 O ATOM 227 CB ALA A 15 6.960 7.215 11.825 1.00 3.65 C ATOM 0 H ALA A 15 9.967 6.751 11.151 1.00 1.90 H new ATOM 0 HA ALA A 15 8.522 5.931 12.576 1.00 2.49 H new ATOM 0 HB1 ALA A 15 6.199 6.837 12.508 1.00 3.65 H new ATOM 0 HB2 ALA A 15 7.412 8.113 12.247 1.00 3.65 H new ATOM 0 HB3 ALA A 15 6.500 7.457 10.867 1.00 3.65 H new ATOM 233 N ALA A 16 6.461 4.290 11.925 1.00 1.61 N ATOM 234 CA ALA A 16 5.742 3.051 11.613 1.00 1.30 C ATOM 235 C ALA A 16 4.889 3.136 10.326 1.00 0.90 C ATOM 236 O ALA A 16 4.366 2.118 9.870 1.00 1.03 O ATOM 237 CB ALA A 16 4.893 2.685 12.839 1.00 2.01 C ATOM 0 H ALA A 16 6.101 4.768 12.751 1.00 1.61 H new ATOM 0 HA ALA A 16 6.469 2.267 11.401 1.00 1.30 H new ATOM 0 HB1 ALA A 16 4.344 1.765 12.640 1.00 2.01 H new ATOM 0 HB2 ALA A 16 5.543 2.540 13.702 1.00 2.01 H new ATOM 0 HB3 ALA A 16 4.189 3.490 13.047 1.00 2.01 H new ATOM 243 N CYS A 17 4.746 4.331 9.733 1.00 0.73 N ATOM 244 CA CYS A 17 3.923 4.659 8.571 1.00 0.83 C ATOM 245 C CYS A 17 4.109 3.773 7.327 1.00 0.92 C ATOM 246 O CYS A 17 3.229 3.801 6.478 1.00 1.42 O ATOM 247 CB CYS A 17 4.185 6.136 8.235 1.00 1.16 C ATOM 248 SG CYS A 17 3.598 7.200 9.579 1.00 1.75 S ATOM 0 H CYS A 17 5.242 5.151 10.083 1.00 0.73 H new ATOM 0 HA CYS A 17 2.888 4.465 8.852 1.00 0.83 H new ATOM 0 HB2 CYS A 17 5.251 6.296 8.075 1.00 1.16 H new ATOM 0 HB3 CYS A 17 3.680 6.400 7.306 1.00 1.16 H new ATOM 0 HG CYS A 17 3.829 8.444 9.280 1.00 1.75 H new ATOM 254 N ALA A 18 5.189 2.993 7.198 1.00 0.85 N ATOM 255 CA ALA A 18 5.346 2.006 6.126 1.00 0.96 C ATOM 256 C ALA A 18 4.456 0.773 6.361 1.00 0.70 C ATOM 257 O ALA A 18 3.366 0.679 5.812 1.00 0.63 O ATOM 258 CB ALA A 18 6.835 1.664 5.986 1.00 1.26 C ATOM 0 H ALA A 18 5.982 3.030 7.838 1.00 0.85 H new ATOM 0 HA ALA A 18 5.006 2.425 5.179 1.00 0.96 H new ATOM 0 HB1 ALA A 18 6.967 0.930 5.191 1.00 1.26 H new ATOM 0 HB2 ALA A 18 7.394 2.567 5.742 1.00 1.26 H new ATOM 0 HB3 ALA A 18 7.203 1.252 6.925 1.00 1.26 H new ATOM 264 N SER A 19 4.857 -0.159 7.227 1.00 0.83 N ATOM 265 CA SER A 19 4.101 -1.418 7.435 1.00 0.87 C ATOM 266 C SER A 19 2.703 -1.211 8.067 1.00 0.77 C ATOM 267 O SER A 19 1.806 -2.040 7.936 1.00 0.80 O ATOM 268 CB SER A 19 4.947 -2.415 8.241 1.00 1.20 C ATOM 269 OG SER A 19 4.423 -3.724 8.152 1.00 2.07 O ATOM 0 H SER A 19 5.697 -0.076 7.799 1.00 0.83 H new ATOM 0 HA SER A 19 3.905 -1.834 6.447 1.00 0.87 H new ATOM 0 HB2 SER A 19 5.973 -2.406 7.872 1.00 1.20 H new ATOM 0 HB3 SER A 19 4.981 -2.105 9.285 1.00 1.20 H new ATOM 0 HG SER A 19 4.674 -4.119 7.291 1.00 2.07 H new ATOM 275 N SER A 20 2.437 -0.052 8.680 1.00 0.74 N ATOM 276 CA SER A 20 1.077 0.342 9.091 1.00 0.71 C ATOM 277 C SER A 20 0.085 0.511 7.908 1.00 0.58 C ATOM 278 O SER A 20 -1.136 0.497 8.103 1.00 0.62 O ATOM 279 CB SER A 20 1.175 1.609 9.950 1.00 0.85 C ATOM 280 OG SER A 20 0.060 1.759 10.811 1.00 1.10 O ATOM 0 H SER A 20 3.152 0.639 8.906 1.00 0.74 H new ATOM 0 HA SER A 20 0.653 -0.473 9.677 1.00 0.71 H new ATOM 0 HB2 SER A 20 2.088 1.574 10.544 1.00 0.85 H new ATOM 0 HB3 SER A 20 1.251 2.481 9.301 1.00 0.85 H new ATOM 0 HG SER A 20 0.163 2.577 11.341 1.00 1.10 H new ATOM 286 N ILE A 21 0.591 0.630 6.671 1.00 0.51 N ATOM 287 CA ILE A 21 -0.173 0.463 5.417 1.00 0.48 C ATOM 288 C ILE A 21 -0.613 -0.999 5.285 1.00 0.48 C ATOM 289 O ILE A 21 -1.808 -1.280 5.354 1.00 0.52 O ATOM 290 CB ILE A 21 0.669 0.942 4.201 1.00 0.55 C ATOM 291 CG1 ILE A 21 0.945 2.461 4.305 1.00 0.54 C ATOM 292 CG2 ILE A 21 0.002 0.576 2.865 1.00 0.65 C ATOM 293 CD1 ILE A 21 2.032 2.970 3.358 1.00 0.69 C ATOM 0 H ILE A 21 1.573 0.852 6.507 1.00 0.51 H new ATOM 0 HA ILE A 21 -1.070 1.082 5.440 1.00 0.48 H new ATOM 0 HB ILE A 21 1.625 0.419 4.225 1.00 0.55 H new ATOM 0 HG12 ILE A 21 0.020 3.001 4.101 1.00 0.54 H new ATOM 0 HG13 ILE A 21 1.233 2.697 5.330 1.00 0.54 H new ATOM 0 HG21 ILE A 21 0.622 0.928 2.040 1.00 0.65 H new ATOM 0 HG22 ILE A 21 -0.110 -0.506 2.799 1.00 0.65 H new ATOM 0 HG23 ILE A 21 -0.980 1.046 2.808 1.00 0.65 H new ATOM 0 HD11 ILE A 21 2.161 4.043 3.496 1.00 0.69 H new ATOM 0 HD12 ILE A 21 2.971 2.460 3.574 1.00 0.69 H new ATOM 0 HD13 ILE A 21 1.740 2.770 2.327 1.00 0.69 H new ATOM 305 N GLU A 22 0.341 -1.929 5.199 1.00 0.52 N ATOM 306 CA GLU A 22 0.094 -3.368 5.027 1.00 0.61 C ATOM 307 C GLU A 22 -0.864 -3.908 6.099 1.00 0.58 C ATOM 308 O GLU A 22 -1.841 -4.596 5.791 1.00 0.58 O ATOM 309 CB GLU A 22 1.418 -4.141 5.124 1.00 0.77 C ATOM 310 CG GLU A 22 2.500 -3.686 4.134 1.00 0.84 C ATOM 311 CD GLU A 22 3.834 -4.339 4.479 1.00 0.82 C ATOM 312 OE1 GLU A 22 4.289 -4.105 5.621 1.00 1.77 O ATOM 313 OE2 GLU A 22 4.393 -5.033 3.600 1.00 1.96 O ATOM 0 H GLU A 22 1.334 -1.699 5.248 1.00 0.52 H new ATOM 0 HA GLU A 22 -0.360 -3.507 4.046 1.00 0.61 H new ATOM 0 HB2 GLU A 22 1.807 -4.042 6.137 1.00 0.77 H new ATOM 0 HB3 GLU A 22 1.218 -5.200 4.961 1.00 0.77 H new ATOM 0 HG2 GLU A 22 2.209 -3.951 3.118 1.00 0.84 H new ATOM 0 HG3 GLU A 22 2.599 -2.601 4.165 1.00 0.84 H new ATOM 320 N ARG A 23 -0.623 -3.533 7.362 1.00 0.61 N ATOM 321 CA ARG A 23 -1.427 -3.941 8.513 1.00 0.67 C ATOM 322 C ARG A 23 -2.827 -3.310 8.533 1.00 0.64 C ATOM 323 O ARG A 23 -3.727 -3.837 9.193 1.00 0.71 O ATOM 324 CB ARG A 23 -0.657 -3.609 9.804 1.00 0.80 C ATOM 325 CG ARG A 23 -1.082 -4.516 10.967 1.00 1.11 C ATOM 326 CD ARG A 23 -0.435 -5.907 10.823 1.00 1.92 C ATOM 327 NE ARG A 23 -0.933 -6.893 11.803 1.00 2.35 N ATOM 328 CZ ARG A 23 -0.622 -6.979 13.093 1.00 2.42 C ATOM 329 NH1 ARG A 23 0.065 -6.051 13.723 1.00 2.94 N ATOM 330 NH2 ARG A 23 -1.001 -8.027 13.789 1.00 2.90 N ATOM 0 H ARG A 23 0.155 -2.923 7.614 1.00 0.61 H new ATOM 0 HA ARG A 23 -1.591 -5.016 8.437 1.00 0.67 H new ATOM 0 HB2 ARG A 23 0.413 -3.720 9.628 1.00 0.80 H new ATOM 0 HB3 ARG A 23 -0.830 -2.567 10.073 1.00 0.80 H new ATOM 0 HG2 ARG A 23 -0.787 -4.066 11.915 1.00 1.11 H new ATOM 0 HG3 ARG A 23 -2.168 -4.612 10.984 1.00 1.11 H new ATOM 0 HD2 ARG A 23 -0.619 -6.282 9.816 1.00 1.92 H new ATOM 0 HD3 ARG A 23 0.645 -5.810 10.934 1.00 1.92 H new ATOM 0 HE ARG A 23 -1.591 -7.588 11.450 1.00 2.35 H new ATOM 0 HH11 ARG A 23 0.383 -5.222 13.220 1.00 2.94 H new ATOM 0 HH12 ARG A 23 0.280 -6.160 14.714 1.00 2.94 H new ATOM 0 HH21 ARG A 23 -1.533 -8.773 13.340 1.00 2.90 H new ATOM 0 HH22 ARG A 23 -0.764 -8.095 14.779 1.00 2.90 H new ATOM 344 N ALA A 24 -3.039 -2.183 7.846 1.00 0.60 N ATOM 345 CA ALA A 24 -4.381 -1.657 7.616 1.00 0.64 C ATOM 346 C ALA A 24 -5.057 -2.356 6.424 1.00 0.59 C ATOM 347 O ALA A 24 -6.211 -2.758 6.544 1.00 0.67 O ATOM 348 CB ALA A 24 -4.312 -0.136 7.428 1.00 0.69 C ATOM 0 H ALA A 24 -2.293 -1.618 7.440 1.00 0.60 H new ATOM 0 HA ALA A 24 -5.000 -1.865 8.489 1.00 0.64 H new ATOM 0 HB1 ALA A 24 -5.315 0.255 7.256 1.00 0.69 H new ATOM 0 HB2 ALA A 24 -3.892 0.323 8.323 1.00 0.69 H new ATOM 0 HB3 ALA A 24 -3.680 0.096 6.571 1.00 0.69 H new ATOM 354 N ILE A 25 -4.331 -2.573 5.318 1.00 0.49 N ATOM 355 CA ILE A 25 -4.838 -3.231 4.097 1.00 0.50 C ATOM 356 C ILE A 25 -5.254 -4.670 4.387 1.00 0.50 C ATOM 357 O ILE A 25 -6.210 -5.155 3.789 1.00 0.54 O ATOM 358 CB ILE A 25 -3.798 -3.163 2.953 1.00 0.52 C ATOM 359 CG1 ILE A 25 -3.619 -1.707 2.470 1.00 0.56 C ATOM 360 CG2 ILE A 25 -4.250 -4.054 1.782 1.00 0.68 C ATOM 361 CD1 ILE A 25 -2.450 -1.518 1.495 1.00 0.98 C ATOM 0 H ILE A 25 -3.354 -2.291 5.242 1.00 0.49 H new ATOM 0 HA ILE A 25 -5.724 -2.690 3.766 1.00 0.50 H new ATOM 0 HB ILE A 25 -2.841 -3.523 3.330 1.00 0.52 H new ATOM 0 HG12 ILE A 25 -4.539 -1.378 1.987 1.00 0.56 H new ATOM 0 HG13 ILE A 25 -3.466 -1.063 3.336 1.00 0.56 H new ATOM 0 HG21 ILE A 25 -3.514 -4.002 0.980 1.00 0.68 H new ATOM 0 HG22 ILE A 25 -4.342 -5.085 2.124 1.00 0.68 H new ATOM 0 HG23 ILE A 25 -5.215 -3.707 1.412 1.00 0.68 H new ATOM 0 HD11 ILE A 25 -2.388 -0.470 1.200 1.00 0.98 H new ATOM 0 HD12 ILE A 25 -1.520 -1.814 1.980 1.00 0.98 H new ATOM 0 HD13 ILE A 25 -2.610 -2.135 0.611 1.00 0.98 H new ATOM 373 N ALA A 26 -4.630 -5.304 5.378 1.00 0.50 N ATOM 374 CA ALA A 26 -5.024 -6.607 5.916 1.00 0.53 C ATOM 375 C ALA A 26 -6.517 -6.720 6.314 1.00 0.57 C ATOM 376 O ALA A 26 -6.992 -7.822 6.560 1.00 0.69 O ATOM 377 CB ALA A 26 -4.084 -6.935 7.082 1.00 0.57 C ATOM 0 H ALA A 26 -3.811 -4.914 5.844 1.00 0.50 H new ATOM 0 HA ALA A 26 -4.924 -7.346 5.121 1.00 0.53 H new ATOM 0 HB1 ALA A 26 -4.353 -7.903 7.505 1.00 0.57 H new ATOM 0 HB2 ALA A 26 -3.056 -6.970 6.722 1.00 0.57 H new ATOM 0 HB3 ALA A 26 -4.174 -6.166 7.849 1.00 0.57 H new ATOM 383 N LYS A 27 -7.270 -5.611 6.395 1.00 0.58 N ATOM 384 CA LYS A 27 -8.725 -5.607 6.587 1.00 0.66 C ATOM 385 C LYS A 27 -9.537 -5.504 5.275 1.00 0.64 C ATOM 386 O LYS A 27 -10.756 -5.653 5.321 1.00 0.71 O ATOM 387 CB LYS A 27 -9.084 -4.430 7.509 1.00 0.77 C ATOM 388 CG LYS A 27 -8.699 -4.606 8.984 1.00 0.99 C ATOM 389 CD LYS A 27 -7.194 -4.704 9.295 1.00 1.43 C ATOM 390 CE LYS A 27 -6.903 -4.659 10.799 1.00 1.95 C ATOM 391 NZ LYS A 27 -7.323 -3.373 11.409 1.00 2.69 N ATOM 0 H LYS A 27 -6.874 -4.674 6.327 1.00 0.58 H new ATOM 0 HA LYS A 27 -8.995 -6.567 7.027 1.00 0.66 H new ATOM 0 HB2 LYS A 27 -8.597 -3.532 7.129 1.00 0.77 H new ATOM 0 HB3 LYS A 27 -10.159 -4.259 7.450 1.00 0.77 H new ATOM 0 HG2 LYS A 27 -9.109 -3.767 9.546 1.00 0.99 H new ATOM 0 HG3 LYS A 27 -9.184 -5.508 9.358 1.00 0.99 H new ATOM 0 HD2 LYS A 27 -6.800 -5.631 8.879 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -6.670 -3.885 8.802 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -7.421 -5.481 11.293 1.00 1.95 H new ATOM 0 HE3 LYS A 27 -5.836 -4.808 10.966 1.00 1.95 H new ATOM 0 HZ1 LYS A 27 -6.863 -3.261 12.335 1.00 2.69 H new ATOM 0 HZ2 LYS A 27 -7.046 -2.587 10.787 1.00 2.69 H new ATOM 0 HZ3 LYS A 27 -8.356 -3.369 11.533 1.00 2.69 H new ATOM 405 N VAL A 28 -8.916 -5.218 4.130 1.00 0.60 N ATOM 406 CA VAL A 28 -9.582 -5.106 2.820 1.00 0.63 C ATOM 407 C VAL A 28 -9.993 -6.508 2.364 1.00 0.65 C ATOM 408 O VAL A 28 -9.137 -7.391 2.367 1.00 0.59 O ATOM 409 CB VAL A 28 -8.658 -4.432 1.770 1.00 0.63 C ATOM 410 CG1 VAL A 28 -9.290 -4.377 0.369 1.00 0.92 C ATOM 411 CG2 VAL A 28 -8.325 -2.990 2.191 1.00 0.92 C ATOM 0 H VAL A 28 -7.911 -5.053 4.081 1.00 0.60 H new ATOM 0 HA VAL A 28 -10.464 -4.474 2.917 1.00 0.63 H new ATOM 0 HB VAL A 28 -7.758 -5.046 1.726 1.00 0.63 H new ATOM 0 HG11 VAL A 28 -8.599 -3.896 -0.323 1.00 0.92 H new ATOM 0 HG12 VAL A 28 -9.501 -5.390 0.025 1.00 0.92 H new ATOM 0 HG13 VAL A 28 -10.218 -3.807 0.411 1.00 0.92 H new ATOM 0 HG21 VAL A 28 -7.677 -2.533 1.443 1.00 0.92 H new ATOM 0 HG22 VAL A 28 -9.246 -2.413 2.274 1.00 0.92 H new ATOM 0 HG23 VAL A 28 -7.816 -3.001 3.155 1.00 0.92 H new ATOM 421 N PRO A 29 -11.257 -6.745 1.954 1.00 0.83 N ATOM 422 CA PRO A 29 -11.749 -8.096 1.698 1.00 1.00 C ATOM 423 C PRO A 29 -11.038 -8.788 0.527 1.00 1.06 C ATOM 424 O PRO A 29 -10.983 -10.011 0.482 1.00 2.17 O ATOM 425 CB PRO A 29 -13.256 -7.956 1.451 1.00 1.24 C ATOM 426 CG PRO A 29 -13.420 -6.504 1.004 1.00 1.24 C ATOM 427 CD PRO A 29 -12.340 -5.783 1.808 1.00 1.00 C ATOM 0 HA PRO A 29 -11.541 -8.741 2.552 1.00 1.00 H new ATOM 0 HB2 PRO A 29 -13.602 -8.651 0.686 1.00 1.24 H new ATOM 0 HB3 PRO A 29 -13.830 -8.164 2.354 1.00 1.24 H new ATOM 0 HG2 PRO A 29 -13.269 -6.391 -0.070 1.00 1.24 H new ATOM 0 HG3 PRO A 29 -14.416 -6.121 1.228 1.00 1.24 H new ATOM 0 HD2 PRO A 29 -12.000 -4.885 1.292 1.00 1.00 H new ATOM 0 HD3 PRO A 29 -12.719 -5.468 2.780 1.00 1.00 H new ATOM 435 N GLY A 30 -10.445 -8.021 -0.396 1.00 0.98 N ATOM 436 CA GLY A 30 -9.671 -8.547 -1.522 1.00 1.02 C ATOM 437 C GLY A 30 -8.175 -8.745 -1.267 1.00 0.76 C ATOM 438 O GLY A 30 -7.466 -9.078 -2.216 1.00 0.80 O ATOM 0 H GLY A 30 -10.491 -7.002 -0.379 1.00 0.98 H new ATOM 0 HA2 GLY A 30 -10.100 -9.505 -1.817 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -9.790 -7.870 -2.368 1.00 1.02 H new ATOM 442 N VAL A 31 -7.681 -8.494 -0.048 1.00 0.60 N ATOM 443 CA VAL A 31 -6.263 -8.674 0.321 1.00 0.51 C ATOM 444 C VAL A 31 -5.891 -10.151 0.164 1.00 0.58 C ATOM 445 O VAL A 31 -6.555 -11.036 0.701 1.00 0.90 O ATOM 446 CB VAL A 31 -5.958 -8.148 1.745 1.00 0.52 C ATOM 447 CG1 VAL A 31 -6.496 -9.010 2.902 1.00 0.90 C ATOM 448 CG2 VAL A 31 -4.442 -7.975 1.920 1.00 0.69 C ATOM 0 H VAL A 31 -8.258 -8.156 0.722 1.00 0.60 H new ATOM 0 HA VAL A 31 -5.646 -8.078 -0.351 1.00 0.51 H new ATOM 0 HB VAL A 31 -6.490 -7.199 1.811 1.00 0.52 H new ATOM 0 HG11 VAL A 31 -6.227 -8.551 3.853 1.00 0.90 H new ATOM 0 HG12 VAL A 31 -7.581 -9.082 2.828 1.00 0.90 H new ATOM 0 HG13 VAL A 31 -6.062 -10.008 2.845 1.00 0.90 H new ATOM 0 HG21 VAL A 31 -4.231 -7.605 2.923 1.00 0.69 H new ATOM 0 HG22 VAL A 31 -3.947 -8.936 1.776 1.00 0.69 H new ATOM 0 HG23 VAL A 31 -4.070 -7.262 1.185 1.00 0.69 H new ATOM 458 N GLN A 32 -4.842 -10.419 -0.608 1.00 0.51 N ATOM 459 CA GLN A 32 -4.299 -11.776 -0.772 1.00 0.59 C ATOM 460 C GLN A 32 -2.772 -11.841 -0.660 1.00 0.61 C ATOM 461 O GLN A 32 -2.233 -12.942 -0.577 1.00 0.85 O ATOM 462 CB GLN A 32 -4.842 -12.420 -2.066 1.00 0.91 C ATOM 463 CG GLN A 32 -4.399 -11.723 -3.366 1.00 0.94 C ATOM 464 CD GLN A 32 -3.206 -12.337 -4.110 1.00 1.26 C ATOM 465 OE1 GLN A 32 -3.103 -12.238 -5.320 1.00 1.76 O ATOM 466 NE2 GLN A 32 -2.247 -12.952 -3.459 1.00 1.42 N ATOM 0 H GLN A 32 -4.341 -9.707 -1.139 1.00 0.51 H new ATOM 0 HA GLN A 32 -4.654 -12.372 0.069 1.00 0.59 H new ATOM 0 HB2 GLN A 32 -4.521 -13.461 -2.100 1.00 0.91 H new ATOM 0 HB3 GLN A 32 -5.931 -12.424 -2.025 1.00 0.91 H new ATOM 0 HG2 GLN A 32 -5.250 -11.703 -4.047 1.00 0.94 H new ATOM 0 HG3 GLN A 32 -4.155 -10.687 -3.130 1.00 0.94 H new ATOM 0 HE21 GLN A 32 -2.302 -13.052 -2.445 1.00 1.42 H new ATOM 0 HE22 GLN A 32 -1.447 -13.330 -3.967 1.00 1.42 H new ATOM 475 N SER A 33 -2.057 -10.711 -0.655 1.00 0.56 N ATOM 476 CA SER A 33 -0.621 -10.619 -0.351 1.00 0.86 C ATOM 477 C SER A 33 -0.202 -9.154 -0.302 1.00 0.64 C ATOM 478 O SER A 33 -0.510 -8.432 -1.244 1.00 0.62 O ATOM 479 CB SER A 33 0.245 -11.324 -1.411 1.00 1.46 C ATOM 480 OG SER A 33 0.295 -12.715 -1.179 1.00 2.22 O ATOM 0 H SER A 33 -2.473 -9.805 -0.869 1.00 0.56 H new ATOM 0 HA SER A 33 -0.466 -11.110 0.610 1.00 0.86 H new ATOM 0 HB2 SER A 33 -0.161 -11.132 -2.404 1.00 1.46 H new ATOM 0 HB3 SER A 33 1.254 -10.912 -1.394 1.00 1.46 H new ATOM 0 HG SER A 33 -0.527 -13.001 -0.728 1.00 2.22 H new ATOM 486 N CYS A 34 0.519 -8.745 0.749 1.00 0.69 N ATOM 487 CA CYS A 34 1.114 -7.416 0.917 1.00 0.54 C ATOM 488 C CYS A 34 2.627 -7.557 1.131 1.00 0.56 C ATOM 489 O CYS A 34 3.025 -8.442 1.891 1.00 0.84 O ATOM 490 CB CYS A 34 0.529 -6.748 2.179 1.00 0.70 C ATOM 491 SG CYS A 34 -1.283 -6.694 2.181 1.00 1.03 S ATOM 0 H CYS A 34 0.711 -9.360 1.540 1.00 0.69 H new ATOM 0 HA CYS A 34 0.902 -6.820 0.029 1.00 0.54 H new ATOM 0 HB2 CYS A 34 0.871 -7.289 3.061 1.00 0.70 H new ATOM 0 HB3 CYS A 34 0.917 -5.732 2.258 1.00 0.70 H new ATOM 0 HG CYS A 34 -1.699 -6.122 3.272 1.00 1.03 H new ATOM 497 N GLN A 35 3.445 -6.707 0.512 1.00 0.51 N ATOM 498 CA GLN A 35 4.855 -6.476 0.842 1.00 0.46 C ATOM 499 C GLN A 35 5.248 -5.030 0.472 1.00 0.40 C ATOM 500 O GLN A 35 4.988 -4.585 -0.646 1.00 0.47 O ATOM 501 CB GLN A 35 5.782 -7.454 0.087 1.00 0.57 C ATOM 502 CG GLN A 35 5.922 -8.870 0.677 1.00 0.94 C ATOM 503 CD GLN A 35 5.264 -9.975 -0.158 1.00 1.37 C ATOM 504 OE1 GLN A 35 5.852 -10.565 -1.049 1.00 2.33 O ATOM 505 NE2 GLN A 35 4.030 -10.336 0.107 1.00 1.56 N ATOM 0 H GLN A 35 3.130 -6.133 -0.270 1.00 0.51 H new ATOM 0 HA GLN A 35 4.975 -6.640 1.913 1.00 0.46 H new ATOM 0 HB2 GLN A 35 5.418 -7.546 -0.936 1.00 0.57 H new ATOM 0 HB3 GLN A 35 6.775 -7.008 0.033 1.00 0.57 H new ATOM 0 HG2 GLN A 35 6.982 -9.100 0.790 1.00 0.94 H new ATOM 0 HG3 GLN A 35 5.486 -8.878 1.676 1.00 0.94 H new ATOM 0 HE21 GLN A 35 3.508 -9.864 0.846 1.00 1.56 H new ATOM 0 HE22 GLN A 35 3.593 -11.088 -0.426 1.00 1.56 H new ATOM 514 N VAL A 36 5.925 -4.319 1.378 1.00 0.42 N ATOM 515 CA VAL A 36 6.539 -2.990 1.200 1.00 0.38 C ATOM 516 C VAL A 36 8.041 -3.032 1.518 1.00 0.40 C ATOM 517 O VAL A 36 8.476 -3.724 2.439 1.00 0.58 O ATOM 518 CB VAL A 36 5.823 -1.920 2.066 1.00 0.60 C ATOM 519 CG1 VAL A 36 6.182 -1.962 3.565 1.00 1.64 C ATOM 520 CG2 VAL A 36 6.117 -0.495 1.573 1.00 1.18 C ATOM 0 H VAL A 36 6.071 -4.677 2.322 1.00 0.42 H new ATOM 0 HA VAL A 36 6.421 -2.708 0.154 1.00 0.38 H new ATOM 0 HB VAL A 36 4.768 -2.171 1.955 1.00 0.60 H new ATOM 0 HG11 VAL A 36 5.636 -1.180 4.092 1.00 1.64 H new ATOM 0 HG12 VAL A 36 5.911 -2.934 3.977 1.00 1.64 H new ATOM 0 HG13 VAL A 36 7.253 -1.802 3.687 1.00 1.64 H new ATOM 0 HG21 VAL A 36 5.597 0.224 2.206 1.00 1.18 H new ATOM 0 HG22 VAL A 36 7.190 -0.309 1.618 1.00 1.18 H new ATOM 0 HG23 VAL A 36 5.773 -0.388 0.544 1.00 1.18 H new ATOM 530 N ASN A 37 8.832 -2.268 0.763 1.00 0.38 N ATOM 531 CA ASN A 37 10.282 -2.175 0.908 1.00 0.44 C ATOM 532 C ASN A 37 10.684 -0.763 1.351 1.00 0.48 C ATOM 533 O ASN A 37 10.925 0.126 0.527 1.00 0.54 O ATOM 534 CB ASN A 37 10.929 -2.589 -0.419 1.00 0.57 C ATOM 535 CG ASN A 37 12.450 -2.674 -0.351 1.00 0.84 C ATOM 536 OD1 ASN A 37 13.116 -1.947 0.376 1.00 0.89 O ATOM 537 ND2 ASN A 37 13.045 -3.557 -1.124 1.00 1.45 N ATOM 0 H ASN A 37 8.469 -1.680 0.012 1.00 0.38 H new ATOM 0 HA ASN A 37 10.638 -2.851 1.686 1.00 0.44 H new ATOM 0 HB2 ASN A 37 10.532 -3.558 -0.722 1.00 0.57 H new ATOM 0 HB3 ASN A 37 10.647 -1.873 -1.191 1.00 0.57 H new ATOM 0 HD21 ASN A 37 14.062 -3.637 -1.118 1.00 1.45 H new ATOM 0 HD22 ASN A 37 12.489 -4.162 -1.729 1.00 1.45 H new ATOM 544 N PHE A 38 10.791 -0.559 2.670 1.00 0.54 N ATOM 545 CA PHE A 38 11.087 0.734 3.303 1.00 0.65 C ATOM 546 C PHE A 38 12.581 1.135 3.214 1.00 0.73 C ATOM 547 O PHE A 38 13.172 1.617 4.176 1.00 0.95 O ATOM 548 CB PHE A 38 10.513 0.697 4.734 1.00 0.79 C ATOM 549 CG PHE A 38 10.262 2.022 5.443 1.00 1.03 C ATOM 550 CD1 PHE A 38 9.905 3.191 4.737 1.00 1.98 C ATOM 551 CD2 PHE A 38 10.273 2.050 6.852 1.00 2.10 C ATOM 552 CE1 PHE A 38 9.565 4.365 5.429 1.00 2.49 C ATOM 553 CE2 PHE A 38 9.925 3.223 7.546 1.00 2.78 C ATOM 554 CZ PHE A 38 9.570 4.379 6.833 1.00 2.59 C ATOM 0 H PHE A 38 10.670 -1.312 3.348 1.00 0.54 H new ATOM 0 HA PHE A 38 10.599 1.539 2.754 1.00 0.65 H new ATOM 0 HB2 PHE A 38 9.569 0.153 4.700 1.00 0.79 H new ATOM 0 HB3 PHE A 38 11.195 0.113 5.352 1.00 0.79 H new ATOM 0 HD1 PHE A 38 9.893 3.183 3.657 1.00 1.98 H new ATOM 0 HD2 PHE A 38 10.551 1.164 7.403 1.00 2.10 H new ATOM 0 HE1 PHE A 38 9.300 5.257 4.881 1.00 2.49 H new ATOM 0 HE2 PHE A 38 9.931 3.234 8.626 1.00 2.78 H new ATOM 0 HZ PHE A 38 9.301 5.280 7.365 1.00 2.59 H new ATOM 564 N ALA A 39 13.180 0.897 2.042 1.00 0.66 N ATOM 565 CA ALA A 39 14.549 1.236 1.653 1.00 0.73 C ATOM 566 C ALA A 39 14.675 1.458 0.129 1.00 0.69 C ATOM 567 O ALA A 39 15.469 2.292 -0.293 1.00 0.82 O ATOM 568 CB ALA A 39 15.483 0.119 2.137 1.00 0.80 C ATOM 0 H ALA A 39 12.682 0.427 1.286 1.00 0.66 H new ATOM 0 HA ALA A 39 14.833 2.179 2.121 1.00 0.73 H new ATOM 0 HB1 ALA A 39 16.509 0.355 1.855 1.00 0.80 H new ATOM 0 HB2 ALA A 39 15.415 0.032 3.221 1.00 0.80 H new ATOM 0 HB3 ALA A 39 15.189 -0.825 1.679 1.00 0.80 H new ATOM 574 N LEU A 40 13.868 0.776 -0.704 1.00 0.61 N ATOM 575 CA LEU A 40 13.849 0.896 -2.163 1.00 0.60 C ATOM 576 C LEU A 40 12.449 1.336 -2.698 1.00 0.53 C ATOM 577 O LEU A 40 12.142 1.234 -3.882 1.00 0.61 O ATOM 578 CB LEU A 40 14.460 -0.445 -2.647 1.00 0.63 C ATOM 579 CG LEU A 40 14.109 -0.931 -4.048 1.00 0.64 C ATOM 580 CD1 LEU A 40 14.663 -0.018 -5.156 1.00 0.67 C ATOM 581 CD2 LEU A 40 14.633 -2.356 -4.281 1.00 0.70 C ATOM 0 H LEU A 40 13.186 0.100 -0.359 1.00 0.61 H new ATOM 0 HA LEU A 40 14.446 1.707 -2.580 1.00 0.60 H new ATOM 0 HB2 LEU A 40 15.545 -0.358 -2.587 1.00 0.63 H new ATOM 0 HB3 LEU A 40 14.163 -1.221 -1.941 1.00 0.63 H new ATOM 0 HG LEU A 40 13.021 -0.913 -4.104 1.00 0.64 H new ATOM 0 HD11 LEU A 40 14.380 -0.416 -6.131 1.00 0.67 H new ATOM 0 HD12 LEU A 40 14.252 0.985 -5.041 1.00 0.67 H new ATOM 0 HD13 LEU A 40 15.750 0.025 -5.083 1.00 0.67 H new ATOM 0 HD21 LEU A 40 14.370 -2.680 -5.288 1.00 0.70 H new ATOM 0 HD22 LEU A 40 15.717 -2.368 -4.167 1.00 0.70 H new ATOM 0 HD23 LEU A 40 14.184 -3.032 -3.553 1.00 0.70 H new ATOM 593 N GLU A 41 11.582 1.854 -1.822 1.00 0.52 N ATOM 594 CA GLU A 41 10.348 2.611 -2.121 1.00 0.52 C ATOM 595 C GLU A 41 9.188 1.800 -2.719 1.00 0.43 C ATOM 596 O GLU A 41 8.108 2.365 -2.890 1.00 0.46 O ATOM 597 CB GLU A 41 10.600 3.823 -3.045 1.00 0.68 C ATOM 598 CG GLU A 41 11.273 5.020 -2.372 1.00 0.92 C ATOM 599 CD GLU A 41 11.243 6.260 -3.273 1.00 1.16 C ATOM 600 OE1 GLU A 41 10.934 6.102 -4.482 1.00 1.71 O ATOM 601 OE2 GLU A 41 11.517 7.367 -2.756 1.00 2.22 O ATOM 0 H GLU A 41 11.727 1.753 -0.817 1.00 0.52 H new ATOM 0 HA GLU A 41 10.040 2.934 -1.127 1.00 0.52 H new ATOM 0 HB2 GLU A 41 11.219 3.500 -3.882 1.00 0.68 H new ATOM 0 HB3 GLU A 41 9.646 4.148 -3.461 1.00 0.68 H new ATOM 0 HG2 GLU A 41 10.769 5.240 -1.431 1.00 0.92 H new ATOM 0 HG3 GLU A 41 12.306 4.770 -2.130 1.00 0.92 H new ATOM 608 N GLN A 42 9.343 0.523 -3.086 1.00 0.40 N ATOM 609 CA GLN A 42 8.192 -0.204 -3.638 1.00 0.37 C ATOM 610 C GLN A 42 7.186 -0.637 -2.573 1.00 0.33 C ATOM 611 O GLN A 42 7.556 -0.992 -1.455 1.00 0.36 O ATOM 612 CB GLN A 42 8.544 -1.404 -4.531 1.00 0.41 C ATOM 613 CG GLN A 42 9.012 -2.708 -3.817 1.00 0.44 C ATOM 614 CD GLN A 42 10.489 -3.074 -3.995 1.00 0.60 C ATOM 615 OE1 GLN A 42 11.055 -3.846 -3.241 1.00 1.23 O ATOM 616 NE2 GLN A 42 11.211 -2.572 -4.972 1.00 1.14 N ATOM 0 H GLN A 42 10.210 -0.009 -3.017 1.00 0.40 H new ATOM 0 HA GLN A 42 7.728 0.542 -4.283 1.00 0.37 H new ATOM 0 HB2 GLN A 42 7.669 -1.644 -5.135 1.00 0.41 H new ATOM 0 HB3 GLN A 42 9.331 -1.094 -5.219 1.00 0.41 H new ATOM 0 HG2 GLN A 42 8.808 -2.609 -2.751 1.00 0.44 H new ATOM 0 HG3 GLN A 42 8.406 -3.537 -4.182 1.00 0.44 H new ATOM 0 HE21 GLN A 42 10.790 -1.920 -5.634 1.00 1.14 H new ATOM 0 HE22 GLN A 42 12.192 -2.834 -5.068 1.00 1.14 H new ATOM 625 N ALA A 43 5.932 -0.757 -3.008 1.00 0.33 N ATOM 626 CA ALA A 43 5.007 -1.766 -2.489 1.00 0.30 C ATOM 627 C ALA A 43 4.573 -2.734 -3.601 1.00 0.42 C ATOM 628 O ALA A 43 4.554 -2.370 -4.778 1.00 0.68 O ATOM 629 CB ALA A 43 3.806 -1.080 -1.821 1.00 0.43 C ATOM 0 H ALA A 43 5.529 -0.159 -3.729 1.00 0.33 H new ATOM 0 HA ALA A 43 5.516 -2.362 -1.732 1.00 0.30 H new ATOM 0 HB1 ALA A 43 3.122 -1.837 -1.437 1.00 0.43 H new ATOM 0 HB2 ALA A 43 4.155 -0.456 -0.999 1.00 0.43 H new ATOM 0 HB3 ALA A 43 3.288 -0.460 -2.553 1.00 0.43 H new ATOM 635 N VAL A 44 4.202 -3.954 -3.217 1.00 0.36 N ATOM 636 CA VAL A 44 3.417 -4.884 -4.031 1.00 0.38 C ATOM 637 C VAL A 44 2.232 -5.399 -3.217 1.00 0.40 C ATOM 638 O VAL A 44 2.419 -5.904 -2.109 1.00 0.45 O ATOM 639 CB VAL A 44 4.267 -6.031 -4.626 1.00 0.43 C ATOM 640 CG1 VAL A 44 5.035 -6.872 -3.595 1.00 0.48 C ATOM 641 CG2 VAL A 44 3.436 -6.961 -5.522 1.00 0.50 C ATOM 0 H VAL A 44 4.446 -4.336 -2.303 1.00 0.36 H new ATOM 0 HA VAL A 44 3.037 -4.340 -4.895 1.00 0.38 H new ATOM 0 HB VAL A 44 5.015 -5.510 -5.224 1.00 0.43 H new ATOM 0 HG11 VAL A 44 5.600 -7.650 -4.108 1.00 0.48 H new ATOM 0 HG12 VAL A 44 5.720 -6.231 -3.041 1.00 0.48 H new ATOM 0 HG13 VAL A 44 4.330 -7.333 -2.903 1.00 0.48 H new ATOM 0 HG21 VAL A 44 4.074 -7.751 -5.918 1.00 0.50 H new ATOM 0 HG22 VAL A 44 2.630 -7.404 -4.938 1.00 0.50 H new ATOM 0 HG23 VAL A 44 3.013 -6.389 -6.348 1.00 0.50 H new ATOM 651 N VAL A 45 1.012 -5.249 -3.746 1.00 0.49 N ATOM 652 CA VAL A 45 -0.207 -5.749 -3.089 1.00 0.47 C ATOM 653 C VAL A 45 -1.270 -6.159 -4.105 1.00 0.45 C ATOM 654 O VAL A 45 -1.634 -5.373 -4.979 1.00 0.51 O ATOM 655 CB VAL A 45 -0.856 -4.742 -2.100 1.00 0.50 C ATOM 656 CG1 VAL A 45 -1.895 -5.421 -1.208 1.00 0.73 C ATOM 657 CG2 VAL A 45 0.125 -3.989 -1.180 1.00 0.90 C ATOM 0 H VAL A 45 0.840 -4.781 -4.636 1.00 0.49 H new ATOM 0 HA VAL A 45 0.136 -6.612 -2.519 1.00 0.47 H new ATOM 0 HB VAL A 45 -1.312 -4.006 -2.762 1.00 0.50 H new ATOM 0 HG11 VAL A 45 -2.328 -4.686 -0.529 1.00 0.73 H new ATOM 0 HG12 VAL A 45 -2.682 -5.850 -1.828 1.00 0.73 H new ATOM 0 HG13 VAL A 45 -1.417 -6.212 -0.630 1.00 0.73 H new ATOM 0 HG21 VAL A 45 -0.431 -3.313 -0.531 1.00 0.90 H new ATOM 0 HG22 VAL A 45 0.676 -4.706 -0.571 1.00 0.90 H new ATOM 0 HG23 VAL A 45 0.825 -3.415 -1.787 1.00 0.90 H new ATOM 667 N SER A 46 -1.855 -7.346 -3.922 1.00 0.49 N ATOM 668 CA SER A 46 -3.196 -7.634 -4.449 1.00 0.55 C ATOM 669 C SER A 46 -4.218 -7.545 -3.318 1.00 0.51 C ATOM 670 O SER A 46 -4.126 -8.260 -2.320 1.00 0.50 O ATOM 671 CB SER A 46 -3.281 -8.985 -5.162 1.00 0.87 C ATOM 672 OG SER A 46 -4.632 -9.364 -5.391 1.00 1.65 O ATOM 0 H SER A 46 -1.426 -8.121 -3.416 1.00 0.49 H new ATOM 0 HA SER A 46 -3.420 -6.883 -5.206 1.00 0.55 H new ATOM 0 HB2 SER A 46 -2.750 -8.931 -6.112 1.00 0.87 H new ATOM 0 HB3 SER A 46 -2.784 -9.747 -4.562 1.00 0.87 H new ATOM 0 HG SER A 46 -5.152 -8.577 -5.658 1.00 1.65 H new ATOM 678 N TYR A 47 -5.204 -6.676 -3.529 1.00 0.68 N ATOM 679 CA TYR A 47 -6.131 -6.149 -2.524 1.00 0.80 C ATOM 680 C TYR A 47 -7.498 -5.764 -3.120 1.00 1.01 C ATOM 681 O TYR A 47 -8.060 -4.713 -2.832 1.00 1.55 O ATOM 682 CB TYR A 47 -5.473 -5.066 -1.638 1.00 0.92 C ATOM 683 CG TYR A 47 -4.801 -3.817 -2.227 1.00 0.96 C ATOM 684 CD1 TYR A 47 -4.090 -3.810 -3.451 1.00 1.38 C ATOM 685 CD2 TYR A 47 -4.760 -2.654 -1.429 1.00 1.78 C ATOM 686 CE1 TYR A 47 -3.377 -2.673 -3.871 1.00 1.47 C ATOM 687 CE2 TYR A 47 -4.000 -1.533 -1.815 1.00 1.91 C ATOM 688 CZ TYR A 47 -3.312 -1.537 -3.045 1.00 1.29 C ATOM 689 OH TYR A 47 -2.598 -0.451 -3.445 1.00 1.51 O ATOM 0 H TYR A 47 -5.390 -6.298 -4.458 1.00 0.68 H new ATOM 0 HA TYR A 47 -6.366 -6.962 -1.836 1.00 0.80 H new ATOM 0 HB2 TYR A 47 -6.244 -4.712 -0.953 1.00 0.92 H new ATOM 0 HB3 TYR A 47 -4.719 -5.572 -1.035 1.00 0.92 H new ATOM 0 HD1 TYR A 47 -4.095 -4.693 -4.073 1.00 1.38 H new ATOM 0 HD2 TYR A 47 -5.321 -2.623 -0.507 1.00 1.78 H new ATOM 0 HE1 TYR A 47 -2.879 -2.672 -4.829 1.00 1.47 H new ATOM 0 HE2 TYR A 47 -3.944 -0.670 -1.168 1.00 1.91 H new ATOM 0 HH TYR A 47 -3.001 0.361 -3.072 1.00 1.51 H new ATOM 699 N HIS A 48 -8.028 -6.631 -3.990 1.00 0.85 N ATOM 700 CA HIS A 48 -9.192 -6.359 -4.846 1.00 0.97 C ATOM 701 C HIS A 48 -10.141 -7.572 -4.875 1.00 1.20 C ATOM 702 O HIS A 48 -9.728 -8.676 -5.242 1.00 1.46 O ATOM 703 CB HIS A 48 -8.675 -6.020 -6.253 1.00 1.07 C ATOM 704 CG HIS A 48 -7.605 -4.961 -6.256 1.00 1.12 C ATOM 705 ND1 HIS A 48 -7.809 -3.590 -6.104 1.00 1.05 N ATOM 706 CD2 HIS A 48 -6.265 -5.203 -6.318 1.00 1.32 C ATOM 707 CE1 HIS A 48 -6.587 -3.038 -6.061 1.00 1.18 C ATOM 708 NE2 HIS A 48 -5.640 -3.982 -6.211 1.00 1.38 N ATOM 0 H HIS A 48 -7.649 -7.569 -4.123 1.00 0.85 H new ATOM 0 HA HIS A 48 -9.764 -5.519 -4.453 1.00 0.97 H new ATOM 0 HB2 HIS A 48 -8.282 -6.925 -6.716 1.00 1.07 H new ATOM 0 HB3 HIS A 48 -9.510 -5.685 -6.868 1.00 1.07 H new ATOM 0 HD2 HIS A 48 -5.787 -6.165 -6.429 1.00 1.32 H new ATOM 0 HE1 HIS A 48 -6.391 -1.985 -5.925 1.00 1.18 H new ATOM 0 HE2 HIS A 48 -4.633 -3.820 -6.240 1.00 1.38 H new ATOM 716 N GLY A 49 -11.399 -7.398 -4.463 1.00 1.54 N ATOM 717 CA GLY A 49 -12.359 -8.488 -4.246 1.00 2.08 C ATOM 718 C GLY A 49 -13.143 -8.788 -5.517 1.00 1.67 C ATOM 719 O GLY A 49 -12.575 -9.155 -6.546 1.00 2.25 O ATOM 0 H GLY A 49 -11.789 -6.476 -4.266 1.00 1.54 H new ATOM 0 HA2 GLY A 49 -11.830 -9.384 -3.921 1.00 2.08 H new ATOM 0 HA3 GLY A 49 -13.047 -8.217 -3.446 1.00 2.08 H new ATOM 723 N GLU A 50 -14.452 -8.597 -5.430 1.00 1.95 N ATOM 724 CA GLU A 50 -15.361 -8.329 -6.548 1.00 2.01 C ATOM 725 C GLU A 50 -14.839 -7.260 -7.532 1.00 2.08 C ATOM 726 O GLU A 50 -15.022 -7.420 -8.739 1.00 2.98 O ATOM 727 CB GLU A 50 -16.744 -7.930 -5.978 1.00 2.53 C ATOM 728 CG GLU A 50 -16.828 -6.599 -5.195 1.00 3.28 C ATOM 729 CD GLU A 50 -15.745 -6.482 -4.121 1.00 3.74 C ATOM 730 OE1 GLU A 50 -15.704 -7.363 -3.237 1.00 3.98 O ATOM 731 OE2 GLU A 50 -14.807 -5.685 -4.332 1.00 4.82 O ATOM 0 H GLU A 50 -14.939 -8.625 -4.534 1.00 1.95 H new ATOM 0 HA GLU A 50 -15.438 -9.243 -7.136 1.00 2.01 H new ATOM 0 HB2 GLU A 50 -17.449 -7.879 -6.807 1.00 2.53 H new ATOM 0 HB3 GLU A 50 -17.082 -8.731 -5.320 1.00 2.53 H new ATOM 0 HG2 GLU A 50 -16.736 -5.765 -5.891 1.00 3.28 H new ATOM 0 HG3 GLU A 50 -17.809 -6.518 -4.727 1.00 3.28 H new ATOM 738 N THR A 51 -14.164 -6.203 -7.049 1.00 2.02 N ATOM 739 CA THR A 51 -13.649 -5.095 -7.870 1.00 2.56 C ATOM 740 C THR A 51 -12.374 -4.476 -7.284 1.00 2.59 C ATOM 741 O THR A 51 -11.857 -4.925 -6.260 1.00 3.29 O ATOM 742 CB THR A 51 -14.773 -4.073 -8.107 1.00 3.03 C ATOM 743 OG1 THR A 51 -14.401 -3.229 -9.170 1.00 4.06 O ATOM 744 CG2 THR A 51 -15.097 -3.193 -6.897 1.00 3.45 C ATOM 0 H THR A 51 -13.957 -6.093 -6.056 1.00 2.02 H new ATOM 0 HA THR A 51 -13.341 -5.485 -8.840 1.00 2.56 H new ATOM 0 HB THR A 51 -15.669 -4.656 -8.323 1.00 3.03 H new ATOM 0 HG1 THR A 51 -15.112 -2.574 -9.331 1.00 4.06 H new ATOM 0 HG21 THR A 51 -15.900 -2.503 -7.154 1.00 3.45 H new ATOM 0 HG22 THR A 51 -15.411 -3.822 -6.064 1.00 3.45 H new ATOM 0 HG23 THR A 51 -14.210 -2.627 -6.611 1.00 3.45 H new ATOM 752 N THR A 52 -11.857 -3.440 -7.953 1.00 2.68 N ATOM 753 CA THR A 52 -10.745 -2.588 -7.512 1.00 2.77 C ATOM 754 C THR A 52 -11.324 -1.286 -6.951 1.00 1.55 C ATOM 755 O THR A 52 -11.859 -0.502 -7.733 1.00 2.09 O ATOM 756 CB THR A 52 -9.792 -2.326 -8.687 1.00 4.17 C ATOM 757 OG1 THR A 52 -8.996 -3.476 -8.819 1.00 5.22 O ATOM 758 CG2 THR A 52 -8.812 -1.174 -8.473 1.00 4.87 C ATOM 0 H THR A 52 -12.221 -3.158 -8.863 1.00 2.68 H new ATOM 0 HA THR A 52 -10.169 -3.081 -6.729 1.00 2.77 H new ATOM 0 HB THR A 52 -10.414 -2.077 -9.547 1.00 4.17 H new ATOM 0 HG1 THR A 52 -8.302 -3.475 -8.127 1.00 5.22 H new ATOM 0 HG21 THR A 52 -8.181 -1.065 -9.355 1.00 4.87 H new ATOM 0 HG22 THR A 52 -9.367 -0.250 -8.307 1.00 4.87 H new ATOM 0 HG23 THR A 52 -8.188 -1.384 -7.604 1.00 4.87 H new ATOM 766 N PRO A 53 -11.243 -1.030 -5.629 1.00 1.38 N ATOM 767 CA PRO A 53 -11.726 0.205 -5.011 1.00 1.80 C ATOM 768 C PRO A 53 -10.633 1.287 -4.945 1.00 1.34 C ATOM 769 O PRO A 53 -9.448 0.970 -4.875 1.00 1.29 O ATOM 770 CB PRO A 53 -12.146 -0.227 -3.602 1.00 3.26 C ATOM 771 CG PRO A 53 -11.121 -1.310 -3.258 1.00 3.59 C ATOM 772 CD PRO A 53 -10.879 -1.999 -4.599 1.00 2.69 C ATOM 0 HA PRO A 53 -12.538 0.654 -5.583 1.00 1.80 H new ATOM 0 HB2 PRO A 53 -12.109 0.603 -2.897 1.00 3.26 H new ATOM 0 HB3 PRO A 53 -13.165 -0.614 -3.585 1.00 3.26 H new ATOM 0 HG2 PRO A 53 -10.204 -0.882 -2.854 1.00 3.59 H new ATOM 0 HG3 PRO A 53 -11.505 -2.005 -2.511 1.00 3.59 H new ATOM 0 HD2 PRO A 53 -9.836 -2.300 -4.699 1.00 2.69 H new ATOM 0 HD3 PRO A 53 -11.481 -2.903 -4.686 1.00 2.69 H new ATOM 780 N GLN A 54 -11.027 2.566 -4.838 1.00 1.30 N ATOM 781 CA GLN A 54 -10.106 3.677 -4.517 1.00 1.19 C ATOM 782 C GLN A 54 -9.416 3.502 -3.148 1.00 0.98 C ATOM 783 O GLN A 54 -8.377 4.105 -2.899 1.00 1.01 O ATOM 784 CB GLN A 54 -10.865 5.015 -4.612 1.00 1.61 C ATOM 785 CG GLN A 54 -9.951 6.242 -4.399 1.00 2.60 C ATOM 786 CD GLN A 54 -10.628 7.579 -4.698 1.00 3.27 C ATOM 787 OE1 GLN A 54 -11.714 7.656 -5.245 1.00 3.12 O ATOM 788 NE2 GLN A 54 -10.014 8.691 -4.357 1.00 4.45 N ATOM 0 H GLN A 54 -11.994 2.863 -4.971 1.00 1.30 H new ATOM 0 HA GLN A 54 -9.300 3.673 -5.251 1.00 1.19 H new ATOM 0 HB2 GLN A 54 -11.341 5.088 -5.590 1.00 1.61 H new ATOM 0 HB3 GLN A 54 -11.662 5.028 -3.868 1.00 1.61 H new ATOM 0 HG2 GLN A 54 -9.600 6.246 -3.367 1.00 2.60 H new ATOM 0 HG3 GLN A 54 -9.071 6.142 -5.034 1.00 2.60 H new ATOM 0 HE21 GLN A 54 -9.104 8.651 -3.898 1.00 4.45 H new ATOM 0 HE22 GLN A 54 -10.448 9.593 -4.552 1.00 4.45 H new ATOM 797 N ILE A 55 -9.929 2.613 -2.288 1.00 0.96 N ATOM 798 CA ILE A 55 -9.286 2.187 -1.028 1.00 0.94 C ATOM 799 C ILE A 55 -7.845 1.685 -1.255 1.00 0.85 C ATOM 800 O ILE A 55 -7.025 1.769 -0.344 1.00 0.88 O ATOM 801 CB ILE A 55 -10.174 1.148 -0.290 1.00 1.15 C ATOM 802 CG1 ILE A 55 -11.558 1.758 0.048 1.00 1.37 C ATOM 803 CG2 ILE A 55 -9.500 0.628 0.998 1.00 1.28 C ATOM 804 CD1 ILE A 55 -12.593 0.744 0.556 1.00 2.39 C ATOM 0 H ILE A 55 -10.826 2.155 -2.449 1.00 0.96 H new ATOM 0 HA ILE A 55 -9.196 3.059 -0.380 1.00 0.94 H new ATOM 0 HB ILE A 55 -10.308 0.301 -0.963 1.00 1.15 H new ATOM 0 HG12 ILE A 55 -11.425 2.532 0.804 1.00 1.37 H new ATOM 0 HG13 ILE A 55 -11.953 2.246 -0.843 1.00 1.37 H new ATOM 0 HG21 ILE A 55 -10.154 -0.096 1.484 1.00 1.28 H new ATOM 0 HG22 ILE A 55 -8.553 0.150 0.746 1.00 1.28 H new ATOM 0 HG23 ILE A 55 -9.316 1.462 1.675 1.00 1.28 H new ATOM 0 HD11 ILE A 55 -13.531 1.257 0.768 1.00 2.39 H new ATOM 0 HD12 ILE A 55 -12.760 -0.018 -0.205 1.00 2.39 H new ATOM 0 HD13 ILE A 55 -12.224 0.272 1.467 1.00 2.39 H new ATOM 816 N LEU A 56 -7.504 1.237 -2.475 1.00 0.86 N ATOM 817 CA LEU A 56 -6.127 0.914 -2.863 1.00 0.91 C ATOM 818 C LEU A 56 -5.148 2.074 -2.612 1.00 0.81 C ATOM 819 O LEU A 56 -3.988 1.836 -2.265 1.00 0.91 O ATOM 820 CB LEU A 56 -6.102 0.397 -4.326 1.00 1.12 C ATOM 821 CG LEU A 56 -5.971 1.452 -5.457 1.00 1.15 C ATOM 822 CD1 LEU A 56 -4.508 1.833 -5.762 1.00 1.30 C ATOM 823 CD2 LEU A 56 -6.557 0.908 -6.766 1.00 1.48 C ATOM 0 H LEU A 56 -8.183 1.089 -3.222 1.00 0.86 H new ATOM 0 HA LEU A 56 -5.768 0.112 -2.218 1.00 0.91 H new ATOM 0 HB2 LEU A 56 -5.272 -0.303 -4.421 1.00 1.12 H new ATOM 0 HB3 LEU A 56 -7.017 -0.169 -4.498 1.00 1.12 H new ATOM 0 HG LEU A 56 -6.508 2.330 -5.098 1.00 1.15 H new ATOM 0 HD11 LEU A 56 -4.484 2.574 -6.561 1.00 1.30 H new ATOM 0 HD12 LEU A 56 -4.046 2.250 -4.867 1.00 1.30 H new ATOM 0 HD13 LEU A 56 -3.958 0.945 -6.074 1.00 1.30 H new ATOM 0 HD21 LEU A 56 -6.458 1.660 -7.549 1.00 1.48 H new ATOM 0 HD22 LEU A 56 -6.019 0.006 -7.058 1.00 1.48 H new ATOM 0 HD23 LEU A 56 -7.611 0.671 -6.622 1.00 1.48 H new ATOM 835 N THR A 57 -5.622 3.307 -2.825 1.00 0.72 N ATOM 836 CA THR A 57 -4.888 4.570 -2.673 1.00 0.73 C ATOM 837 C THR A 57 -5.067 5.123 -1.271 1.00 0.65 C ATOM 838 O THR A 57 -4.070 5.441 -0.630 1.00 0.65 O ATOM 839 CB THR A 57 -5.376 5.593 -3.708 1.00 0.98 C ATOM 840 OG1 THR A 57 -5.381 5.001 -4.987 1.00 1.53 O ATOM 841 CG2 THR A 57 -4.465 6.821 -3.762 1.00 1.61 C ATOM 0 H THR A 57 -6.585 3.460 -3.126 1.00 0.72 H new ATOM 0 HA THR A 57 -3.828 4.376 -2.838 1.00 0.73 H new ATOM 0 HB THR A 57 -6.378 5.906 -3.412 1.00 0.98 H new ATOM 0 HG1 THR A 57 -5.694 5.653 -5.648 1.00 1.53 H new ATOM 0 HG21 THR A 57 -4.843 7.522 -4.506 1.00 1.61 H new ATOM 0 HG22 THR A 57 -4.447 7.304 -2.785 1.00 1.61 H new ATOM 0 HG23 THR A 57 -3.455 6.513 -4.034 1.00 1.61 H new ATOM 849 N ASP A 58 -6.309 5.188 -0.781 1.00 0.66 N ATOM 850 CA ASP A 58 -6.653 5.702 0.560 1.00 0.71 C ATOM 851 C ASP A 58 -5.736 5.127 1.653 1.00 0.62 C ATOM 852 O ASP A 58 -5.187 5.857 2.481 1.00 0.63 O ATOM 853 CB ASP A 58 -8.115 5.339 0.853 1.00 0.82 C ATOM 854 CG ASP A 58 -8.639 5.936 2.163 1.00 1.38 C ATOM 855 OD1 ASP A 58 -9.007 7.130 2.140 1.00 2.29 O ATOM 856 OD2 ASP A 58 -8.705 5.168 3.151 1.00 2.12 O ATOM 0 H ASP A 58 -7.124 4.880 -1.312 1.00 0.66 H new ATOM 0 HA ASP A 58 -6.514 6.783 0.567 1.00 0.71 H new ATOM 0 HB2 ASP A 58 -8.740 5.685 0.029 1.00 0.82 H new ATOM 0 HB3 ASP A 58 -8.211 4.254 0.893 1.00 0.82 H new ATOM 861 N ALA A 59 -5.460 3.821 1.571 1.00 0.59 N ATOM 862 CA ALA A 59 -4.580 3.115 2.493 1.00 0.60 C ATOM 863 C ALA A 59 -3.075 3.428 2.386 1.00 0.63 C ATOM 864 O ALA A 59 -2.316 2.944 3.225 1.00 0.85 O ATOM 865 CB ALA A 59 -4.877 1.619 2.375 1.00 0.71 C ATOM 0 H ALA A 59 -5.852 3.219 0.847 1.00 0.59 H new ATOM 0 HA ALA A 59 -4.809 3.487 3.492 1.00 0.60 H new ATOM 0 HB1 ALA A 59 -4.231 1.065 3.056 1.00 0.71 H new ATOM 0 HB2 ALA A 59 -5.920 1.434 2.633 1.00 0.71 H new ATOM 0 HB3 ALA A 59 -4.692 1.291 1.352 1.00 0.71 H new ATOM 871 N VAL A 60 -2.648 4.249 1.426 1.00 0.53 N ATOM 872 CA VAL A 60 -1.343 4.949 1.411 1.00 0.52 C ATOM 873 C VAL A 60 -1.485 6.390 1.926 1.00 0.50 C ATOM 874 O VAL A 60 -0.629 6.840 2.687 1.00 0.54 O ATOM 875 CB VAL A 60 -0.700 4.960 -0.001 1.00 0.60 C ATOM 876 CG1 VAL A 60 0.817 5.208 0.080 1.00 1.69 C ATOM 877 CG2 VAL A 60 -0.893 3.635 -0.765 1.00 1.76 C ATOM 0 H VAL A 60 -3.214 4.459 0.604 1.00 0.53 H new ATOM 0 HA VAL A 60 -0.684 4.392 2.077 1.00 0.52 H new ATOM 0 HB VAL A 60 -1.208 5.764 -0.533 1.00 0.60 H new ATOM 0 HG11 VAL A 60 1.239 5.210 -0.925 1.00 1.69 H new ATOM 0 HG12 VAL A 60 1.003 6.172 0.554 1.00 1.69 H new ATOM 0 HG13 VAL A 60 1.284 4.418 0.668 1.00 1.69 H new ATOM 0 HG21 VAL A 60 -0.421 3.708 -1.745 1.00 1.76 H new ATOM 0 HG22 VAL A 60 -0.437 2.821 -0.202 1.00 1.76 H new ATOM 0 HG23 VAL A 60 -1.958 3.439 -0.890 1.00 1.76 H new ATOM 887 N GLU A 61 -2.588 7.085 1.614 1.00 0.49 N ATOM 888 CA GLU A 61 -2.830 8.478 2.034 1.00 0.56 C ATOM 889 C GLU A 61 -2.829 8.583 3.571 1.00 0.61 C ATOM 890 O GLU A 61 -2.155 9.446 4.133 1.00 0.80 O ATOM 891 CB GLU A 61 -4.162 9.016 1.470 1.00 0.65 C ATOM 892 CG GLU A 61 -4.323 8.958 -0.060 1.00 1.38 C ATOM 893 CD GLU A 61 -3.426 9.921 -0.834 1.00 1.24 C ATOM 894 OE1 GLU A 61 -3.521 11.155 -0.627 1.00 1.75 O ATOM 895 OE2 GLU A 61 -2.644 9.441 -1.684 1.00 2.19 O ATOM 0 H GLU A 61 -3.347 6.694 1.057 1.00 0.49 H new ATOM 0 HA GLU A 61 -2.022 9.089 1.632 1.00 0.56 H new ATOM 0 HB2 GLU A 61 -4.978 8.453 1.922 1.00 0.65 H new ATOM 0 HB3 GLU A 61 -4.275 10.052 1.788 1.00 0.65 H new ATOM 0 HG2 GLU A 61 -4.116 7.942 -0.395 1.00 1.38 H new ATOM 0 HG3 GLU A 61 -5.362 9.171 -0.310 1.00 1.38 H new ATOM 902 N ARG A 62 -3.450 7.606 4.256 1.00 0.57 N ATOM 903 CA ARG A 62 -3.422 7.382 5.718 1.00 0.65 C ATOM 904 C ARG A 62 -2.038 7.433 6.378 1.00 0.62 C ATOM 905 O ARG A 62 -1.956 7.384 7.608 1.00 0.76 O ATOM 906 CB ARG A 62 -4.060 6.009 6.032 1.00 0.72 C ATOM 907 CG ARG A 62 -3.279 4.795 5.487 1.00 1.40 C ATOM 908 CD ARG A 62 -2.015 4.282 6.217 1.00 1.26 C ATOM 909 NE ARG A 62 -2.306 3.365 7.320 1.00 1.58 N ATOM 910 CZ ARG A 62 -2.385 3.664 8.605 1.00 1.28 C ATOM 911 NH1 ARG A 62 -2.356 4.898 9.077 1.00 1.64 N ATOM 912 NH2 ARG A 62 -2.469 2.658 9.441 1.00 1.99 N ATOM 0 H ARG A 62 -4.020 6.908 3.778 1.00 0.57 H new ATOM 0 HA ARG A 62 -3.981 8.217 6.140 1.00 0.65 H new ATOM 0 HB2 ARG A 62 -4.155 5.907 7.113 1.00 0.72 H new ATOM 0 HB3 ARG A 62 -5.069 5.990 5.620 1.00 0.72 H new ATOM 0 HG2 ARG A 62 -3.979 3.961 5.431 1.00 1.40 H new ATOM 0 HG3 ARG A 62 -2.985 5.034 4.465 1.00 1.40 H new ATOM 0 HD2 ARG A 62 -1.370 3.778 5.497 1.00 1.26 H new ATOM 0 HD3 ARG A 62 -1.457 5.135 6.603 1.00 1.26 H new ATOM 0 HE ARG A 62 -2.465 2.389 7.070 1.00 1.58 H new ATOM 0 HH11 ARG A 62 -2.268 5.687 8.437 1.00 1.64 H new ATOM 0 HH12 ARG A 62 -2.421 5.061 10.082 1.00 1.64 H new ATOM 0 HH21 ARG A 62 -2.471 1.701 9.089 1.00 1.99 H new ATOM 0 HH22 ARG A 62 -2.532 2.832 10.444 1.00 1.99 H new ATOM 926 N ALA A 63 -0.957 7.303 5.603 1.00 0.56 N ATOM 927 CA ALA A 63 0.429 7.288 6.085 1.00 0.71 C ATOM 928 C ALA A 63 1.128 8.655 5.966 1.00 0.81 C ATOM 929 O ALA A 63 2.219 8.820 6.512 1.00 0.97 O ATOM 930 CB ALA A 63 1.188 6.212 5.297 1.00 0.76 C ATOM 0 H ALA A 63 -1.024 7.202 4.590 1.00 0.56 H new ATOM 0 HA ALA A 63 0.424 7.060 7.151 1.00 0.71 H new ATOM 0 HB1 ALA A 63 2.224 6.177 5.634 1.00 0.76 H new ATOM 0 HB2 ALA A 63 0.720 5.242 5.462 1.00 0.76 H new ATOM 0 HB3 ALA A 63 1.160 6.452 4.234 1.00 0.76 H new ATOM 936 N GLY A 64 0.514 9.605 5.247 1.00 0.79 N ATOM 937 CA GLY A 64 1.141 10.840 4.776 1.00 0.93 C ATOM 938 C GLY A 64 1.834 10.636 3.430 1.00 0.88 C ATOM 939 O GLY A 64 2.548 11.527 2.975 1.00 1.01 O ATOM 0 H GLY A 64 -0.465 9.529 4.970 1.00 0.79 H new ATOM 0 HA2 GLY A 64 0.386 11.621 4.683 1.00 0.93 H new ATOM 0 HA3 GLY A 64 1.867 11.185 5.512 1.00 0.93 H new ATOM 943 N TYR A 65 1.665 9.461 2.806 1.00 0.75 N ATOM 944 CA TYR A 65 2.443 9.027 1.650 1.00 0.75 C ATOM 945 C TYR A 65 1.542 8.799 0.418 1.00 0.72 C ATOM 946 O TYR A 65 0.346 8.554 0.550 1.00 0.97 O ATOM 947 CB TYR A 65 3.252 7.775 2.047 1.00 0.80 C ATOM 948 CG TYR A 65 4.195 7.904 3.247 1.00 0.91 C ATOM 949 CD1 TYR A 65 4.830 9.125 3.563 1.00 1.88 C ATOM 950 CD2 TYR A 65 4.478 6.769 4.037 1.00 1.88 C ATOM 951 CE1 TYR A 65 5.704 9.219 4.663 1.00 2.05 C ATOM 952 CE2 TYR A 65 5.374 6.848 5.125 1.00 1.98 C ATOM 953 CZ TYR A 65 5.987 8.081 5.447 1.00 1.36 C ATOM 954 OH TYR A 65 6.907 8.170 6.452 1.00 1.65 O ATOM 0 H TYR A 65 0.969 8.777 3.101 1.00 0.75 H new ATOM 0 HA TYR A 65 3.143 9.809 1.354 1.00 0.75 H new ATOM 0 HB2 TYR A 65 2.548 6.970 2.255 1.00 0.80 H new ATOM 0 HB3 TYR A 65 3.843 7.467 1.184 1.00 0.80 H new ATOM 0 HD1 TYR A 65 4.643 9.997 2.954 1.00 1.88 H new ATOM 0 HD2 TYR A 65 4.003 5.827 3.806 1.00 1.88 H new ATOM 0 HE1 TYR A 65 6.160 10.167 4.908 1.00 2.05 H new ATOM 0 HE2 TYR A 65 5.591 5.967 5.711 1.00 1.98 H new ATOM 0 HH TYR A 65 6.819 7.395 7.045 1.00 1.65 H new ATOM 964 N HIS A 66 2.092 8.922 -0.794 1.00 0.64 N ATOM 965 CA HIS A 66 1.353 8.861 -2.064 1.00 0.59 C ATOM 966 C HIS A 66 1.726 7.634 -2.885 1.00 0.56 C ATOM 967 O HIS A 66 2.847 7.143 -2.831 1.00 0.70 O ATOM 968 CB HIS A 66 1.585 10.159 -2.870 1.00 0.70 C ATOM 969 CG HIS A 66 0.532 11.213 -2.632 1.00 0.81 C ATOM 970 ND1 HIS A 66 0.045 12.082 -3.590 1.00 2.10 N ATOM 971 CD2 HIS A 66 -0.304 11.285 -1.552 1.00 1.27 C ATOM 972 CE1 HIS A 66 -1.103 12.616 -3.120 1.00 2.20 C ATOM 973 NE2 HIS A 66 -1.326 12.147 -1.876 1.00 1.33 N ATOM 0 H HIS A 66 3.093 9.071 -0.925 1.00 0.64 H new ATOM 0 HA HIS A 66 0.292 8.772 -1.831 1.00 0.59 H new ATOM 0 HB2 HIS A 66 2.562 10.568 -2.611 1.00 0.70 H new ATOM 0 HB3 HIS A 66 1.612 9.917 -3.933 1.00 0.70 H new ATOM 0 HD2 HIS A 66 -0.184 10.761 -0.615 1.00 1.27 H new ATOM 0 HE1 HIS A 66 -1.739 13.307 -3.654 1.00 2.20 H new ATOM 0 HE2 HIS A 66 -2.116 12.389 -1.278 1.00 1.33 H new ATOM 982 N ALA A 67 0.787 7.161 -3.695 1.00 0.61 N ATOM 983 CA ALA A 67 1.007 6.073 -4.646 1.00 0.72 C ATOM 984 C ALA A 67 1.524 6.620 -5.992 1.00 0.93 C ATOM 985 O ALA A 67 0.918 7.537 -6.544 1.00 1.21 O ATOM 986 CB ALA A 67 -0.342 5.358 -4.812 1.00 0.92 C ATOM 0 H ALA A 67 -0.165 7.527 -3.712 1.00 0.61 H new ATOM 0 HA ALA A 67 1.766 5.380 -4.284 1.00 0.72 H new ATOM 0 HB1 ALA A 67 -0.232 4.533 -5.516 1.00 0.92 H new ATOM 0 HB2 ALA A 67 -0.670 4.971 -3.847 1.00 0.92 H new ATOM 0 HB3 ALA A 67 -1.083 6.062 -5.191 1.00 0.92 H new ATOM 992 N ARG A 68 2.583 6.028 -6.559 1.00 1.01 N ATOM 993 CA ARG A 68 3.037 6.312 -7.929 1.00 1.45 C ATOM 994 C ARG A 68 3.444 5.042 -8.666 1.00 1.16 C ATOM 995 O ARG A 68 3.858 4.069 -8.048 1.00 1.09 O ATOM 996 CB ARG A 68 4.173 7.354 -7.940 1.00 1.92 C ATOM 997 CG ARG A 68 5.604 6.868 -7.658 1.00 1.54 C ATOM 998 CD ARG A 68 6.610 7.831 -8.307 1.00 1.94 C ATOM 999 NE ARG A 68 7.991 7.455 -7.985 1.00 2.05 N ATOM 1000 CZ ARG A 68 8.633 7.745 -6.861 1.00 2.62 C ATOM 1001 NH1 ARG A 68 8.157 8.560 -5.947 1.00 2.97 N ATOM 1002 NH2 ARG A 68 9.798 7.185 -6.651 1.00 3.79 N ATOM 0 H ARG A 68 3.154 5.333 -6.077 1.00 1.01 H new ATOM 0 HA ARG A 68 2.190 6.739 -8.466 1.00 1.45 H new ATOM 0 HB2 ARG A 68 4.172 7.838 -8.916 1.00 1.92 H new ATOM 0 HB3 ARG A 68 3.930 8.120 -7.204 1.00 1.92 H new ATOM 0 HG2 ARG A 68 5.776 6.816 -6.583 1.00 1.54 H new ATOM 0 HG3 ARG A 68 5.742 5.861 -8.052 1.00 1.54 H new ATOM 0 HD2 ARG A 68 6.473 7.829 -9.388 1.00 1.94 H new ATOM 0 HD3 ARG A 68 6.418 8.847 -7.963 1.00 1.94 H new ATOM 0 HE ARG A 68 8.503 6.923 -8.688 1.00 2.05 H new ATOM 0 HH11 ARG A 68 7.250 9.006 -6.084 1.00 2.97 H new ATOM 0 HH12 ARG A 68 8.695 8.747 -5.101 1.00 2.97 H new ATOM 0 HH21 ARG A 68 10.188 6.545 -7.343 1.00 3.79 H new ATOM 0 HH22 ARG A 68 10.315 7.389 -5.796 1.00 3.79 H new ATOM 1016 N VAL A 69 3.423 5.055 -9.994 1.00 1.18 N ATOM 1017 CA VAL A 69 3.970 3.984 -10.809 1.00 1.07 C ATOM 1018 C VAL A 69 5.496 3.984 -10.776 1.00 1.08 C ATOM 1019 O VAL A 69 6.146 5.020 -10.920 1.00 1.28 O ATOM 1020 CB VAL A 69 3.435 4.085 -12.249 1.00 1.56 C ATOM 1021 CG1 VAL A 69 1.958 3.664 -12.301 1.00 1.59 C ATOM 1022 CG2 VAL A 69 3.595 5.473 -12.900 1.00 2.48 C ATOM 0 H VAL A 69 3.021 5.819 -10.538 1.00 1.18 H new ATOM 0 HA VAL A 69 3.643 3.032 -10.391 1.00 1.07 H new ATOM 0 HB VAL A 69 4.055 3.403 -12.831 1.00 1.56 H new ATOM 0 HG11 VAL A 69 1.594 3.741 -13.325 1.00 1.59 H new ATOM 0 HG12 VAL A 69 1.861 2.634 -11.957 1.00 1.59 H new ATOM 0 HG13 VAL A 69 1.370 4.318 -11.657 1.00 1.59 H new ATOM 0 HG21 VAL A 69 3.191 5.449 -13.912 1.00 2.48 H new ATOM 0 HG22 VAL A 69 3.056 6.215 -12.311 1.00 2.48 H new ATOM 0 HG23 VAL A 69 4.652 5.738 -12.938 1.00 2.48 H new ATOM 1032 N LEU A 70 6.034 2.780 -10.583 1.00 1.15 N ATOM 1033 CA LEU A 70 7.419 2.441 -10.874 1.00 1.38 C ATOM 1034 C LEU A 70 7.480 2.040 -12.347 1.00 1.39 C ATOM 1035 O LEU A 70 6.572 1.363 -12.831 1.00 1.62 O ATOM 1036 CB LEU A 70 7.892 1.366 -9.875 1.00 1.51 C ATOM 1037 CG LEU A 70 7.444 -0.105 -10.061 1.00 1.37 C ATOM 1038 CD1 LEU A 70 8.292 -0.874 -11.092 1.00 1.46 C ATOM 1039 CD2 LEU A 70 7.595 -0.851 -8.725 1.00 1.68 C ATOM 0 H LEU A 70 5.500 1.995 -10.210 1.00 1.15 H new ATOM 0 HA LEU A 70 8.111 3.272 -10.741 1.00 1.38 H new ATOM 0 HB2 LEU A 70 8.982 1.377 -9.877 1.00 1.51 H new ATOM 0 HB3 LEU A 70 7.572 1.681 -8.882 1.00 1.51 H new ATOM 0 HG LEU A 70 6.413 -0.067 -10.413 1.00 1.37 H new ATOM 0 HD11 LEU A 70 7.925 -1.897 -11.174 1.00 1.46 H new ATOM 0 HD12 LEU A 70 8.218 -0.383 -12.062 1.00 1.46 H new ATOM 0 HD13 LEU A 70 9.333 -0.886 -10.770 1.00 1.46 H new ATOM 0 HD21 LEU A 70 7.281 -1.887 -8.849 1.00 1.68 H new ATOM 0 HD22 LEU A 70 8.638 -0.823 -8.409 1.00 1.68 H new ATOM 0 HD23 LEU A 70 6.973 -0.372 -7.969 1.00 1.68 H new ATOM 1051 N LYS A 71 8.481 2.496 -13.109 1.00 1.70 N ATOM 1052 CA LYS A 71 8.433 2.339 -14.572 1.00 1.77 C ATOM 1053 C LYS A 71 9.748 2.644 -15.307 1.00 2.38 C ATOM 1054 O LYS A 71 10.443 3.606 -14.998 1.00 3.29 O ATOM 1055 CB LYS A 71 7.309 3.232 -15.156 1.00 2.52 C ATOM 1056 CG LYS A 71 6.662 2.617 -16.406 1.00 3.20 C ATOM 1057 CD LYS A 71 5.961 3.699 -17.239 1.00 4.33 C ATOM 1058 CE LYS A 71 5.222 3.151 -18.469 1.00 4.93 C ATOM 1059 NZ LYS A 71 6.083 2.308 -19.334 1.00 5.51 N ATOM 0 H LYS A 71 9.314 2.965 -12.752 1.00 1.70 H new ATOM 0 HA LYS A 71 8.237 1.280 -14.739 1.00 1.77 H new ATOM 0 HB2 LYS A 71 6.544 3.392 -14.396 1.00 2.52 H new ATOM 0 HB3 LYS A 71 7.719 4.210 -15.407 1.00 2.52 H new ATOM 0 HG2 LYS A 71 7.423 2.122 -17.009 1.00 3.20 H new ATOM 0 HG3 LYS A 71 5.942 1.854 -16.111 1.00 3.20 H new ATOM 0 HD2 LYS A 71 5.250 4.229 -16.605 1.00 4.33 H new ATOM 0 HD3 LYS A 71 6.701 4.429 -17.567 1.00 4.33 H new ATOM 0 HE2 LYS A 71 4.364 2.566 -18.139 1.00 4.93 H new ATOM 0 HE3 LYS A 71 4.834 3.985 -19.054 1.00 4.93 H new ATOM 0 HZ1 LYS A 71 5.938 2.570 -20.330 1.00 5.51 H new ATOM 0 HZ2 LYS A 71 7.081 2.455 -19.079 1.00 5.51 H new ATOM 0 HZ3 LYS A 71 5.835 1.307 -19.200 1.00 5.51 H new ATOM 1073 N GLN A 72 9.993 1.897 -16.384 1.00 2.47 N ATOM 1074 CA GLN A 72 10.753 2.310 -17.570 1.00 3.36 C ATOM 1075 C GLN A 72 10.011 1.679 -18.769 1.00 3.23 C ATOM 1076 O GLN A 72 8.960 2.209 -19.146 1.00 3.49 O ATOM 1077 CB GLN A 72 12.275 2.013 -17.456 1.00 4.40 C ATOM 1078 CG GLN A 72 12.784 1.188 -16.253 1.00 5.00 C ATOM 1079 CD GLN A 72 12.258 -0.247 -16.168 1.00 5.49 C ATOM 1080 OE1 GLN A 72 11.418 -0.688 -16.935 1.00 5.64 O ATOM 1081 NE2 GLN A 72 12.711 -1.026 -15.214 1.00 6.44 N ATOM 0 H GLN A 72 9.651 0.939 -16.459 1.00 2.47 H new ATOM 0 HA GLN A 72 10.777 3.392 -17.699 1.00 3.36 H new ATOM 0 HB2 GLN A 72 12.579 1.493 -18.365 1.00 4.40 H new ATOM 0 HB3 GLN A 72 12.798 2.969 -17.445 1.00 4.40 H new ATOM 0 HG2 GLN A 72 13.873 1.156 -16.292 1.00 5.00 H new ATOM 0 HG3 GLN A 72 12.513 1.711 -15.336 1.00 5.00 H new ATOM 0 HE21 GLN A 72 13.414 -0.678 -14.562 1.00 6.44 H new ATOM 0 HE22 GLN A 72 12.361 -1.980 -15.125 1.00 6.44 H new ATOM 1090 N GLN A 73 10.458 0.509 -19.255 1.00 3.70 N ATOM 1091 CA GLN A 73 9.667 -0.657 -19.694 1.00 4.03 C ATOM 1092 C GLN A 73 10.081 -1.202 -21.072 1.00 4.69 C ATOM 1093 O GLN A 73 11.010 -1.992 -21.097 1.00 5.53 O ATOM 1094 CB GLN A 73 8.153 -0.491 -19.478 1.00 4.48 C ATOM 1095 CG GLN A 73 7.363 -1.803 -19.435 1.00 5.35 C ATOM 1096 CD GLN A 73 5.865 -1.527 -19.294 1.00 6.52 C ATOM 1097 OE1 GLN A 73 5.420 -0.385 -19.235 1.00 6.79 O ATOM 1098 NE2 GLN A 73 5.036 -2.542 -19.234 1.00 7.81 N ATOM 0 H GLN A 73 11.458 0.339 -19.360 1.00 3.70 H new ATOM 0 HA GLN A 73 9.933 -1.466 -19.013 1.00 4.03 H new ATOM 0 HB2 GLN A 73 7.990 0.046 -18.543 1.00 4.48 H new ATOM 0 HB3 GLN A 73 7.752 0.132 -20.277 1.00 4.48 H new ATOM 0 HG2 GLN A 73 7.549 -2.375 -20.344 1.00 5.35 H new ATOM 0 HG3 GLN A 73 7.706 -2.413 -18.599 1.00 5.35 H new ATOM 0 HE21 GLN A 73 5.394 -3.496 -19.282 1.00 7.81 H new ATOM 0 HE22 GLN A 73 4.034 -2.377 -19.139 1.00 7.81 H new TER 1107 GLN A 73