USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 437 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 29 THR OG1 : rot -83:sc= 0.313 USER MOD Set 1.2: A 31 SER OG : rot -71:sc= 0.645 USER MOD Set 2.1: A 22 ASN : amide:sc= -1.04 K(o=-0.91,f=-10!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 169:sc= 0.129 (180deg=-0.552) USER MOD Single : A 3 GLN : amide:sc= -1.65! C(o=-1.7!,f=-7.2!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 1.04 K(o=1,f=-0.081) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -137:sc= 0.385 USER MOD Single : A 19 SER OG : rot 44:sc= 0.00409 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.068 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -5.13! (180deg=-5.39!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 56 THR OG1 : rot -150:sc= 0 USER MOD Single : A 59 THR OG1 : rot -106:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 17.699 -2.198 8.857 1.00 4.91 N ATOM 2 CA PRO A 1 16.242 -2.251 9.076 1.00 4.78 C ATOM 3 C PRO A 1 15.491 -1.532 7.958 1.00 3.86 C ATOM 4 O PRO A 1 15.077 -0.382 8.112 1.00 4.22 O ATOM 5 CB PRO A 1 15.939 -1.616 10.428 1.00 5.77 C ATOM 6 CG PRO A 1 17.287 -1.349 11.014 1.00 6.32 C ATOM 7 CD PRO A 1 18.276 -2.161 10.208 1.00 5.89 C ATOM 0 H2 PRO A 1 17.963 -1.373 8.318 1.00 4.91 H new ATOM 0 H3 PRO A 1 18.026 -3.012 8.336 1.00 4.91 H new ATOM 0 HA PRO A 1 15.908 -3.288 9.069 1.00 4.78 H new ATOM 0 HB2 PRO A 1 15.363 -0.697 10.317 1.00 5.77 H new ATOM 0 HB3 PRO A 1 15.354 -2.284 11.060 1.00 5.77 H new ATOM 0 HG2 PRO A 1 17.527 -0.287 10.966 1.00 6.32 H new ATOM 0 HG3 PRO A 1 17.316 -1.635 12.065 1.00 6.32 H new ATOM 0 HD2 PRO A 1 19.263 -1.698 10.207 1.00 5.89 H new ATOM 0 HD3 PRO A 1 18.395 -3.164 10.618 1.00 5.89 H new ATOM 17 N ALA A 2 15.316 -2.221 6.838 1.00 3.11 N ATOM 18 CA ALA A 2 14.659 -1.650 5.670 1.00 2.57 C ATOM 19 C ALA A 2 14.207 -2.755 4.725 1.00 1.86 C ATOM 20 O ALA A 2 14.842 -3.808 4.661 1.00 1.98 O ATOM 21 CB ALA A 2 15.603 -0.694 4.949 1.00 3.02 C ATOM 0 H ALA A 2 15.623 -3.186 6.714 1.00 3.11 H new ATOM 0 HA ALA A 2 13.782 -1.093 6.001 1.00 2.57 H new ATOM 0 HB1 ALA A 2 15.100 -0.274 4.078 1.00 3.02 H new ATOM 0 HB2 ALA A 2 15.891 0.111 5.625 1.00 3.02 H new ATOM 0 HB3 ALA A 2 16.493 -1.235 4.628 1.00 3.02 H new ATOM 27 N GLN A 3 13.107 -2.512 4.004 1.00 1.51 N ATOM 28 CA GLN A 3 12.584 -3.454 3.017 1.00 1.49 C ATOM 29 C GLN A 3 12.080 -4.764 3.625 1.00 1.40 C ATOM 30 O GLN A 3 11.543 -5.598 2.909 1.00 1.83 O ATOM 31 CB GLN A 3 13.654 -3.749 1.989 1.00 1.80 C ATOM 32 CG GLN A 3 13.194 -3.483 0.577 1.00 2.02 C ATOM 33 CD GLN A 3 12.390 -4.628 -0.012 1.00 2.86 C ATOM 34 OE1 GLN A 3 11.166 -4.681 0.112 1.00 3.29 O ATOM 35 NE2 GLN A 3 13.079 -5.555 -0.657 1.00 3.66 N ATOM 0 H GLN A 3 12.557 -1.657 4.090 1.00 1.51 H new ATOM 0 HA GLN A 3 11.720 -2.976 2.555 1.00 1.49 H new ATOM 0 HB2 GLN A 3 14.533 -3.141 2.201 1.00 1.80 H new ATOM 0 HB3 GLN A 3 13.959 -4.792 2.077 1.00 1.80 H new ATOM 0 HG2 GLN A 3 12.589 -2.577 0.563 1.00 2.02 H new ATOM 0 HG3 GLN A 3 14.063 -3.295 -0.053 1.00 2.02 H new ATOM 0 HE21 GLN A 3 14.093 -5.474 -0.737 1.00 3.66 H new ATOM 0 HE22 GLN A 3 12.597 -6.351 -1.074 1.00 3.66 H new ATOM 44 N ASP A 4 12.256 -4.920 4.930 1.00 1.13 N ATOM 45 CA ASP A 4 11.858 -6.124 5.662 1.00 1.09 C ATOM 46 C ASP A 4 10.532 -6.714 5.158 1.00 0.93 C ATOM 47 O ASP A 4 10.500 -7.839 4.672 1.00 1.22 O ATOM 48 CB ASP A 4 11.800 -5.823 7.170 1.00 1.25 C ATOM 49 CG ASP A 4 10.745 -4.801 7.580 1.00 1.14 C ATOM 50 OD1 ASP A 4 10.320 -4.004 6.716 1.00 1.31 O ATOM 51 OD2 ASP A 4 10.334 -4.776 8.761 1.00 1.28 O ATOM 0 H ASP A 4 12.684 -4.208 5.521 1.00 1.13 H new ATOM 0 HA ASP A 4 12.615 -6.887 5.479 1.00 1.09 H new ATOM 0 HB2 ASP A 4 11.610 -6.754 7.705 1.00 1.25 H new ATOM 0 HB3 ASP A 4 12.777 -5.464 7.492 1.00 1.25 H new ATOM 56 N TYR A 5 9.452 -5.953 5.275 1.00 0.75 N ATOM 57 CA TYR A 5 8.167 -6.321 4.687 1.00 0.60 C ATOM 58 C TYR A 5 7.398 -5.073 4.300 1.00 0.61 C ATOM 59 O TYR A 5 6.464 -5.133 3.508 1.00 0.64 O ATOM 60 CB TYR A 5 7.312 -7.163 5.637 1.00 0.61 C ATOM 61 CG TYR A 5 7.837 -8.560 5.858 1.00 0.74 C ATOM 62 CD1 TYR A 5 7.639 -9.551 4.905 1.00 0.81 C ATOM 63 CD2 TYR A 5 8.536 -8.888 7.011 1.00 1.09 C ATOM 64 CE1 TYR A 5 8.123 -10.829 5.096 1.00 1.04 C ATOM 65 CE2 TYR A 5 9.026 -10.164 7.208 1.00 1.36 C ATOM 66 CZ TYR A 5 8.816 -11.131 6.249 1.00 1.27 C ATOM 67 OH TYR A 5 9.300 -12.404 6.441 1.00 1.58 O ATOM 0 H TYR A 5 9.440 -5.066 5.778 1.00 0.75 H new ATOM 0 HA TYR A 5 8.381 -6.924 3.805 1.00 0.60 H new ATOM 0 HB2 TYR A 5 7.247 -6.654 6.599 1.00 0.61 H new ATOM 0 HB3 TYR A 5 6.299 -7.225 5.240 1.00 0.61 H new ATOM 0 HD1 TYR A 5 7.098 -9.318 4.000 1.00 0.81 H new ATOM 0 HD2 TYR A 5 8.699 -8.133 7.766 1.00 1.09 H new ATOM 0 HE1 TYR A 5 7.960 -11.589 4.346 1.00 1.04 H new ATOM 0 HE2 TYR A 5 9.571 -10.403 8.109 1.00 1.36 H new ATOM 0 HH TYR A 5 9.765 -12.451 7.302 1.00 1.58 H new ATOM 77 N ARG A 6 7.831 -3.935 4.825 1.00 0.70 N ATOM 78 CA ARG A 6 7.142 -2.665 4.616 1.00 0.76 C ATOM 79 C ARG A 6 7.216 -2.222 3.153 1.00 0.74 C ATOM 80 O ARG A 6 6.664 -1.193 2.773 1.00 0.87 O ATOM 81 CB ARG A 6 7.771 -1.616 5.521 1.00 0.92 C ATOM 82 CG ARG A 6 9.210 -1.338 5.160 1.00 0.99 C ATOM 83 CD ARG A 6 9.932 -0.571 6.252 1.00 1.23 C ATOM 84 NE ARG A 6 10.284 -1.450 7.366 1.00 1.97 N ATOM 85 CZ ARG A 6 10.805 -1.041 8.519 1.00 2.35 C ATOM 86 NH1 ARG A 6 11.008 0.251 8.747 1.00 2.13 N ATOM 87 NH2 ARG A 6 11.115 -1.935 9.450 1.00 3.18 N ATOM 0 H ARG A 6 8.666 -3.864 5.406 1.00 0.70 H new ATOM 0 HA ARG A 6 6.087 -2.788 4.862 1.00 0.76 H new ATOM 0 HB2 ARG A 6 7.197 -0.692 5.456 1.00 0.92 H new ATOM 0 HB3 ARG A 6 7.717 -1.953 6.556 1.00 0.92 H new ATOM 0 HG2 ARG A 6 9.726 -2.280 4.977 1.00 0.99 H new ATOM 0 HG3 ARG A 6 9.247 -0.768 4.231 1.00 0.99 H new ATOM 0 HD2 ARG A 6 10.834 -0.115 5.845 1.00 1.23 H new ATOM 0 HD3 ARG A 6 9.299 0.240 6.611 1.00 1.23 H new ATOM 0 HE ARG A 6 10.118 -2.450 7.250 1.00 1.97 H new ATOM 0 HH11 ARG A 6 10.764 0.939 8.035 1.00 2.13 H new ATOM 0 HH12 ARG A 6 11.408 0.556 9.634 1.00 2.13 H new ATOM 0 HH21 ARG A 6 10.953 -2.927 9.278 1.00 3.18 H new ATOM 0 HH22 ARG A 6 11.515 -1.630 10.337 1.00 3.18 H new ATOM 101 N CYS A 7 7.912 -3.005 2.348 1.00 0.64 N ATOM 102 CA CYS A 7 8.047 -2.728 0.931 1.00 0.62 C ATOM 103 C CYS A 7 7.741 -3.986 0.102 1.00 0.69 C ATOM 104 O CYS A 7 7.740 -3.951 -1.128 1.00 0.92 O ATOM 105 CB CYS A 7 9.467 -2.214 0.666 1.00 0.64 C ATOM 106 SG CYS A 7 9.817 -1.714 -1.050 1.00 0.61 S ATOM 0 H CYS A 7 8.397 -3.847 2.657 1.00 0.64 H new ATOM 0 HA CYS A 7 7.329 -1.965 0.631 1.00 0.62 H new ATOM 0 HB2 CYS A 7 9.653 -1.361 1.319 1.00 0.64 H new ATOM 0 HB3 CYS A 7 10.175 -2.993 0.950 1.00 0.64 H new ATOM 111 N GLN A 8 7.437 -5.103 0.773 1.00 0.76 N ATOM 112 CA GLN A 8 7.189 -6.353 0.056 1.00 0.92 C ATOM 113 C GLN A 8 5.907 -7.056 0.504 1.00 0.97 C ATOM 114 O GLN A 8 5.571 -8.116 -0.022 1.00 1.43 O ATOM 115 CB GLN A 8 8.386 -7.301 0.162 1.00 1.02 C ATOM 116 CG GLN A 8 8.727 -7.733 1.574 1.00 0.84 C ATOM 117 CD GLN A 8 9.957 -8.616 1.610 1.00 1.17 C ATOM 118 OE1 GLN A 8 9.864 -9.843 1.533 1.00 1.77 O ATOM 119 NE2 GLN A 8 11.118 -7.998 1.717 1.00 1.57 N ATOM 0 H GLN A 8 7.359 -5.165 1.788 1.00 0.76 H new ATOM 0 HA GLN A 8 7.050 -6.078 -0.990 1.00 0.92 H new ATOM 0 HB2 GLN A 8 8.183 -8.189 -0.436 1.00 1.02 H new ATOM 0 HB3 GLN A 8 9.258 -6.814 -0.275 1.00 1.02 H new ATOM 0 HG2 GLN A 8 8.894 -6.852 2.194 1.00 0.84 H new ATOM 0 HG3 GLN A 8 7.881 -8.270 2.004 1.00 0.84 H new ATOM 0 HE21 GLN A 8 11.150 -6.980 1.778 1.00 1.57 H new ATOM 0 HE22 GLN A 8 11.983 -8.538 1.739 1.00 1.57 H new ATOM 128 N LEU A 9 5.202 -6.483 1.478 1.00 0.85 N ATOM 129 CA LEU A 9 3.851 -6.940 1.814 1.00 0.98 C ATOM 130 C LEU A 9 2.942 -6.884 0.586 1.00 1.06 C ATOM 131 O LEU A 9 3.212 -6.151 -0.370 1.00 1.30 O ATOM 132 CB LEU A 9 3.258 -6.082 2.936 1.00 1.22 C ATOM 133 CG LEU A 9 3.870 -6.299 4.322 1.00 1.55 C ATOM 134 CD1 LEU A 9 3.319 -5.288 5.316 1.00 1.99 C ATOM 135 CD2 LEU A 9 3.602 -7.717 4.804 1.00 1.79 C ATOM 0 H LEU A 9 5.539 -5.706 2.046 1.00 0.85 H new ATOM 0 HA LEU A 9 3.919 -7.973 2.155 1.00 0.98 H new ATOM 0 HB2 LEU A 9 3.373 -5.032 2.667 1.00 1.22 H new ATOM 0 HB3 LEU A 9 2.188 -6.280 2.995 1.00 1.22 H new ATOM 0 HG LEU A 9 4.948 -6.155 4.248 1.00 1.55 H new ATOM 0 HD11 LEU A 9 3.767 -5.459 6.295 1.00 1.99 H new ATOM 0 HD12 LEU A 9 3.558 -4.279 4.979 1.00 1.99 H new ATOM 0 HD13 LEU A 9 2.237 -5.400 5.387 1.00 1.99 H new ATOM 0 HD21 LEU A 9 4.044 -7.855 5.791 1.00 1.79 H new ATOM 0 HD22 LEU A 9 2.526 -7.885 4.861 1.00 1.79 H new ATOM 0 HD23 LEU A 9 4.044 -8.428 4.106 1.00 1.79 H new ATOM 147 N SER A 10 1.876 -7.670 0.610 1.00 1.32 N ATOM 148 CA SER A 10 0.945 -7.728 -0.503 1.00 1.64 C ATOM 149 C SER A 10 -0.078 -6.597 -0.411 1.00 1.14 C ATOM 150 O SER A 10 -0.380 -6.098 0.672 1.00 1.14 O ATOM 151 CB SER A 10 0.258 -9.088 -0.532 1.00 2.35 C ATOM 152 OG SER A 10 -0.282 -9.422 0.734 1.00 2.44 O ATOM 0 H SER A 10 1.635 -8.278 1.392 1.00 1.32 H new ATOM 0 HA SER A 10 1.497 -7.599 -1.434 1.00 1.64 H new ATOM 0 HB2 SER A 10 -0.537 -9.080 -1.278 1.00 2.35 H new ATOM 0 HB3 SER A 10 0.973 -9.852 -0.837 1.00 2.35 H new ATOM 0 HG SER A 10 -0.717 -10.298 0.683 1.00 2.44 H new ATOM 158 N ARG A 11 -0.592 -6.199 -1.577 1.00 0.86 N ATOM 159 CA ARG A 11 -1.388 -4.979 -1.722 1.00 0.60 C ATOM 160 C ARG A 11 -2.672 -4.967 -0.908 1.00 1.01 C ATOM 161 O ARG A 11 -3.129 -3.906 -0.480 1.00 1.95 O ATOM 162 CB ARG A 11 -1.729 -4.730 -3.171 1.00 0.47 C ATOM 163 CG ARG A 11 -2.096 -5.965 -3.937 1.00 0.68 C ATOM 164 CD ARG A 11 -2.294 -5.640 -5.399 1.00 0.82 C ATOM 165 NE ARG A 11 -2.919 -6.740 -6.137 1.00 1.15 N ATOM 166 CZ ARG A 11 -3.042 -6.785 -7.466 1.00 1.22 C ATOM 167 NH1 ARG A 11 -2.408 -5.908 -8.233 1.00 1.36 N ATOM 168 NH2 ARG A 11 -3.768 -7.745 -8.025 1.00 1.59 N ATOM 0 H ARG A 11 -0.468 -6.715 -2.448 1.00 0.86 H new ATOM 0 HA ARG A 11 -0.754 -4.184 -1.330 1.00 0.60 H new ATOM 0 HB2 ARG A 11 -2.559 -4.025 -3.221 1.00 0.47 H new ATOM 0 HB3 ARG A 11 -0.877 -4.255 -3.657 1.00 0.47 H new ATOM 0 HG2 ARG A 11 -1.312 -6.714 -3.828 1.00 0.68 H new ATOM 0 HG3 ARG A 11 -3.009 -6.397 -3.527 1.00 0.68 H new ATOM 0 HD2 ARG A 11 -2.913 -4.748 -5.489 1.00 0.82 H new ATOM 0 HD3 ARG A 11 -1.330 -5.405 -5.850 1.00 0.82 H new ATOM 0 HE ARG A 11 -3.285 -7.525 -5.599 1.00 1.15 H new ATOM 0 HH11 ARG A 11 -1.820 -5.191 -7.809 1.00 1.36 H new ATOM 0 HH12 ARG A 11 -2.509 -5.951 -9.247 1.00 1.36 H new ATOM 0 HH21 ARG A 11 -4.228 -8.443 -7.440 1.00 1.59 H new ATOM 0 HH22 ARG A 11 -3.866 -7.785 -9.039 1.00 1.59 H new ATOM 182 N ASN A 12 -3.272 -6.131 -0.749 1.00 1.11 N ATOM 183 CA ASN A 12 -4.526 -6.263 -0.025 1.00 1.54 C ATOM 184 C ASN A 12 -4.373 -5.875 1.436 1.00 2.46 C ATOM 185 O ASN A 12 -3.267 -5.835 1.970 1.00 3.24 O ATOM 186 CB ASN A 12 -5.047 -7.690 -0.103 1.00 1.47 C ATOM 187 CG ASN A 12 -5.464 -8.109 -1.500 1.00 2.04 C ATOM 188 OD1 ASN A 12 -5.890 -7.285 -2.313 1.00 2.41 O ATOM 189 ND2 ASN A 12 -5.339 -9.395 -1.790 1.00 2.46 N ATOM 0 H ASN A 12 -2.907 -7.010 -1.116 1.00 1.11 H new ATOM 0 HA ASN A 12 -5.237 -5.585 -0.497 1.00 1.54 H new ATOM 0 HB2 ASN A 12 -4.274 -8.370 0.256 1.00 1.47 H new ATOM 0 HB3 ASN A 12 -5.900 -7.794 0.568 1.00 1.47 H new ATOM 0 HD21 ASN A 12 -5.599 -9.737 -2.715 1.00 2.46 H new ATOM 0 HD22 ASN A 12 -4.982 -10.044 -1.088 1.00 2.46 H new ATOM 196 N TYR A 13 -5.511 -5.646 2.073 1.00 2.68 N ATOM 197 CA TYR A 13 -5.572 -5.170 3.449 1.00 3.82 C ATOM 198 C TYR A 13 -6.994 -4.784 3.813 1.00 3.96 C ATOM 199 O TYR A 13 -7.585 -5.313 4.755 1.00 4.74 O ATOM 200 CB TYR A 13 -4.679 -3.951 3.627 1.00 4.60 C ATOM 201 CG TYR A 13 -4.524 -3.513 5.069 1.00 5.77 C ATOM 202 CD1 TYR A 13 -4.053 -4.392 6.037 1.00 6.23 C ATOM 203 CD2 TYR A 13 -4.865 -2.227 5.466 1.00 6.53 C ATOM 204 CE1 TYR A 13 -3.926 -4.002 7.354 1.00 7.38 C ATOM 205 CE2 TYR A 13 -4.742 -1.831 6.784 1.00 7.65 C ATOM 206 CZ TYR A 13 -4.271 -2.722 7.723 1.00 8.05 C ATOM 207 OH TYR A 13 -4.158 -2.334 9.038 1.00 9.21 O ATOM 0 H TYR A 13 -6.427 -5.786 1.647 1.00 2.68 H new ATOM 0 HA TYR A 13 -5.231 -5.976 4.099 1.00 3.82 H new ATOM 0 HB2 TYR A 13 -3.694 -4.171 3.216 1.00 4.60 H new ATOM 0 HB3 TYR A 13 -5.089 -3.124 3.048 1.00 4.60 H new ATOM 0 HD1 TYR A 13 -3.782 -5.398 5.753 1.00 6.23 H new ATOM 0 HD2 TYR A 13 -5.232 -1.525 4.732 1.00 6.53 H new ATOM 0 HE1 TYR A 13 -3.557 -4.698 8.093 1.00 7.38 H new ATOM 0 HE2 TYR A 13 -5.014 -0.828 7.077 1.00 7.65 H new ATOM 0 HH TYR A 13 -4.441 -1.400 9.129 1.00 9.21 H new ATOM 217 N GLY A 14 -7.519 -3.849 3.050 1.00 3.45 N ATOM 218 CA GLY A 14 -8.831 -3.298 3.323 1.00 3.64 C ATOM 219 C GLY A 14 -9.963 -4.221 2.921 1.00 3.52 C ATOM 220 O GLY A 14 -10.035 -4.677 1.777 1.00 3.49 O ATOM 0 H GLY A 14 -7.056 -3.453 2.232 1.00 3.45 H new ATOM 0 HA2 GLY A 14 -8.911 -3.078 4.388 1.00 3.64 H new ATOM 0 HA3 GLY A 14 -8.938 -2.351 2.793 1.00 3.64 H new ATOM 224 N LYS A 15 -10.852 -4.483 3.867 1.00 3.84 N ATOM 225 CA LYS A 15 -11.985 -5.368 3.646 1.00 4.12 C ATOM 226 C LYS A 15 -13.181 -4.619 3.089 1.00 3.84 C ATOM 227 O LYS A 15 -13.492 -4.685 1.901 1.00 4.21 O ATOM 228 CB LYS A 15 -12.397 -6.043 4.950 1.00 4.69 C ATOM 229 CG LYS A 15 -11.822 -5.375 6.180 1.00 5.33 C ATOM 230 CD LYS A 15 -12.359 -5.991 7.464 1.00 6.21 C ATOM 231 CE LYS A 15 -13.832 -5.656 7.666 1.00 7.00 C ATOM 232 NZ LYS A 15 -14.395 -6.302 8.881 1.00 7.51 N ATOM 0 H LYS A 15 -10.809 -4.089 4.807 1.00 3.84 H new ATOM 0 HA LYS A 15 -11.668 -6.116 2.920 1.00 4.12 H new ATOM 0 HB2 LYS A 15 -13.485 -6.045 5.022 1.00 4.69 H new ATOM 0 HB3 LYS A 15 -12.077 -7.085 4.928 1.00 4.69 H new ATOM 0 HG2 LYS A 15 -10.735 -5.459 6.164 1.00 5.33 H new ATOM 0 HG3 LYS A 15 -12.060 -4.312 6.160 1.00 5.33 H new ATOM 0 HD2 LYS A 15 -12.231 -7.073 7.432 1.00 6.21 H new ATOM 0 HD3 LYS A 15 -11.781 -5.627 8.314 1.00 6.21 H new ATOM 0 HE2 LYS A 15 -13.949 -4.575 7.744 1.00 7.00 H new ATOM 0 HE3 LYS A 15 -14.399 -5.976 6.791 1.00 7.00 H new ATOM 0 HZ1 LYS A 15 -15.398 -6.046 8.977 1.00 7.51 H new ATOM 0 HZ2 LYS A 15 -14.308 -7.335 8.797 1.00 7.51 H new ATOM 0 HZ3 LYS A 15 -13.873 -5.978 9.720 1.00 7.51 H new ATOM 246 N GLY A 16 -13.824 -3.897 3.977 1.00 3.49 N ATOM 247 CA GLY A 16 -15.046 -3.209 3.662 1.00 3.43 C ATOM 248 C GLY A 16 -15.384 -2.161 4.692 1.00 3.36 C ATOM 249 O GLY A 16 -15.932 -2.471 5.750 1.00 4.06 O ATOM 0 H GLY A 16 -13.510 -3.772 4.940 1.00 3.49 H new ATOM 0 HA2 GLY A 16 -14.956 -2.739 2.683 1.00 3.43 H new ATOM 0 HA3 GLY A 16 -15.861 -3.929 3.596 1.00 3.43 H new ATOM 253 N SER A 17 -15.024 -0.929 4.399 1.00 2.69 N ATOM 254 CA SER A 17 -15.329 0.187 5.283 1.00 2.83 C ATOM 255 C SER A 17 -16.217 1.201 4.592 1.00 2.40 C ATOM 256 O SER A 17 -17.360 1.435 4.992 1.00 2.85 O ATOM 257 CB SER A 17 -14.031 0.845 5.761 1.00 2.99 C ATOM 258 OG SER A 17 -13.178 1.141 4.663 1.00 2.53 O ATOM 0 H SER A 17 -14.517 -0.670 3.553 1.00 2.69 H new ATOM 0 HA SER A 17 -15.871 -0.196 6.148 1.00 2.83 H new ATOM 0 HB2 SER A 17 -14.262 1.761 6.305 1.00 2.99 H new ATOM 0 HB3 SER A 17 -13.517 0.182 6.457 1.00 2.99 H new ATOM 0 HG SER A 17 -12.255 0.906 4.893 1.00 2.53 H new ATOM 264 N GLY A 18 -15.684 1.777 3.549 1.00 1.74 N ATOM 265 CA GLY A 18 -16.385 2.774 2.800 1.00 1.70 C ATOM 266 C GLY A 18 -15.490 3.335 1.729 1.00 1.52 C ATOM 267 O GLY A 18 -14.583 4.107 2.033 1.00 2.34 O ATOM 0 H GLY A 18 -14.750 1.565 3.197 1.00 1.74 H new ATOM 0 HA2 GLY A 18 -17.278 2.341 2.350 1.00 1.70 H new ATOM 0 HA3 GLY A 18 -16.717 3.573 3.463 1.00 1.70 H new ATOM 271 N SER A 19 -15.724 2.908 0.496 1.00 1.01 N ATOM 272 CA SER A 19 -14.875 3.251 -0.643 1.00 0.80 C ATOM 273 C SER A 19 -14.339 4.680 -0.593 1.00 0.84 C ATOM 274 O SER A 19 -15.082 5.659 -0.667 1.00 1.18 O ATOM 275 CB SER A 19 -15.623 3.013 -1.946 1.00 0.86 C ATOM 276 OG SER A 19 -16.943 3.536 -1.896 1.00 1.02 O ATOM 0 H SER A 19 -16.513 2.309 0.253 1.00 1.01 H new ATOM 0 HA SER A 19 -14.006 2.595 -0.589 1.00 0.80 H new ATOM 0 HB2 SER A 19 -15.078 3.477 -2.768 1.00 0.86 H new ATOM 0 HB3 SER A 19 -15.663 1.944 -2.153 1.00 0.86 H new ATOM 0 HG SER A 19 -16.927 4.427 -1.487 1.00 1.02 H new ATOM 282 N PHE A 20 -13.029 4.761 -0.472 1.00 0.78 N ATOM 283 CA PHE A 20 -12.314 6.022 -0.377 1.00 0.93 C ATOM 284 C PHE A 20 -11.265 6.057 -1.475 1.00 0.85 C ATOM 285 O PHE A 20 -11.467 5.500 -2.550 1.00 1.66 O ATOM 286 CB PHE A 20 -11.636 6.122 0.991 1.00 1.06 C ATOM 287 CG PHE A 20 -11.901 7.411 1.718 1.00 1.51 C ATOM 288 CD1 PHE A 20 -11.108 8.525 1.495 1.00 1.83 C ATOM 289 CD2 PHE A 20 -12.940 7.504 2.628 1.00 2.13 C ATOM 290 CE1 PHE A 20 -11.348 9.707 2.167 1.00 2.48 C ATOM 291 CE2 PHE A 20 -13.185 8.684 3.304 1.00 2.78 C ATOM 292 CZ PHE A 20 -12.388 9.787 3.073 1.00 2.89 C ATOM 0 H PHE A 20 -12.421 3.943 -0.436 1.00 0.78 H new ATOM 0 HA PHE A 20 -13.003 6.859 -0.491 1.00 0.93 H new ATOM 0 HB2 PHE A 20 -11.972 5.292 1.612 1.00 1.06 H new ATOM 0 HB3 PHE A 20 -10.560 6.006 0.860 1.00 1.06 H new ATOM 0 HD1 PHE A 20 -10.294 8.468 0.788 1.00 1.83 H new ATOM 0 HD2 PHE A 20 -13.567 6.644 2.812 1.00 2.13 H new ATOM 0 HE1 PHE A 20 -10.723 10.569 1.985 1.00 2.48 H new ATOM 0 HE2 PHE A 20 -13.999 8.743 4.012 1.00 2.78 H new ATOM 0 HZ PHE A 20 -12.577 10.711 3.599 1.00 2.89 H new ATOM 302 N THR A 21 -10.156 6.712 -1.216 1.00 0.73 N ATOM 303 CA THR A 21 -9.029 6.676 -2.127 1.00 0.54 C ATOM 304 C THR A 21 -7.737 6.852 -1.361 1.00 0.43 C ATOM 305 O THR A 21 -7.397 7.947 -0.911 1.00 0.56 O ATOM 306 CB THR A 21 -9.111 7.755 -3.209 1.00 0.65 C ATOM 307 OG1 THR A 21 -10.410 7.755 -3.816 1.00 0.84 O ATOM 308 CG2 THR A 21 -8.046 7.519 -4.268 1.00 0.58 C ATOM 0 H THR A 21 -10.008 7.278 -0.381 1.00 0.73 H new ATOM 0 HA THR A 21 -9.056 5.704 -2.619 1.00 0.54 H new ATOM 0 HB THR A 21 -8.940 8.726 -2.743 1.00 0.65 H new ATOM 0 HG1 THR A 21 -10.449 8.451 -4.505 1.00 0.84 H new ATOM 0 HG21 THR A 21 -8.115 8.293 -5.032 1.00 0.58 H new ATOM 0 HG22 THR A 21 -7.059 7.552 -3.806 1.00 0.58 H new ATOM 0 HG23 THR A 21 -8.199 6.542 -4.727 1.00 0.58 H new ATOM 316 N ASN A 22 -7.051 5.755 -1.194 1.00 0.31 N ATOM 317 CA ASN A 22 -5.740 5.744 -0.590 1.00 0.25 C ATOM 318 C ASN A 22 -4.823 4.999 -1.531 1.00 0.24 C ATOM 319 O ASN A 22 -5.282 4.482 -2.546 1.00 0.28 O ATOM 320 CB ASN A 22 -5.778 5.082 0.792 1.00 0.34 C ATOM 321 CG ASN A 22 -5.900 6.090 1.929 1.00 0.51 C ATOM 322 OD1 ASN A 22 -5.474 5.825 3.053 1.00 1.01 O ATOM 323 ND2 ASN A 22 -6.470 7.255 1.653 1.00 1.12 N ATOM 0 H ASN A 22 -7.386 4.833 -1.475 1.00 0.31 H new ATOM 0 HA ASN A 22 -5.379 6.761 -0.435 1.00 0.25 H new ATOM 0 HB2 ASN A 22 -6.619 4.390 0.835 1.00 0.34 H new ATOM 0 HB3 ASN A 22 -4.872 4.492 0.932 1.00 0.34 H new ATOM 0 HD21 ASN A 22 -6.565 7.962 2.382 1.00 1.12 H new ATOM 0 HD22 ASN A 22 -6.813 7.445 0.711 1.00 1.12 H new ATOM 330 N TYR A 23 -3.554 4.945 -1.224 1.00 0.25 N ATOM 331 CA TYR A 23 -2.604 4.318 -2.115 1.00 0.25 C ATOM 332 C TYR A 23 -2.260 2.919 -1.620 1.00 0.27 C ATOM 333 O TYR A 23 -2.438 2.602 -0.443 1.00 0.26 O ATOM 334 CB TYR A 23 -1.321 5.149 -2.224 1.00 0.26 C ATOM 335 CG TYR A 23 -1.510 6.516 -2.847 1.00 0.32 C ATOM 336 CD1 TYR A 23 -2.225 7.504 -2.191 1.00 0.38 C ATOM 337 CD2 TYR A 23 -0.955 6.823 -4.083 1.00 0.41 C ATOM 338 CE1 TYR A 23 -2.385 8.761 -2.743 1.00 0.50 C ATOM 339 CE2 TYR A 23 -1.113 8.076 -4.645 1.00 0.52 C ATOM 340 CZ TYR A 23 -1.827 9.041 -3.970 1.00 0.56 C ATOM 341 OH TYR A 23 -1.978 10.292 -4.522 1.00 0.69 O ATOM 0 H TYR A 23 -3.152 5.325 -0.367 1.00 0.25 H new ATOM 0 HA TYR A 23 -3.064 4.253 -3.101 1.00 0.25 H new ATOM 0 HB2 TYR A 23 -0.898 5.273 -1.227 1.00 0.26 H new ATOM 0 HB3 TYR A 23 -0.592 4.593 -2.813 1.00 0.26 H new ATOM 0 HD1 TYR A 23 -2.666 7.288 -1.229 1.00 0.38 H new ATOM 0 HD2 TYR A 23 -0.391 6.070 -4.614 1.00 0.41 H new ATOM 0 HE1 TYR A 23 -2.944 9.519 -2.215 1.00 0.50 H new ATOM 0 HE2 TYR A 23 -0.679 8.297 -5.609 1.00 0.52 H new ATOM 0 HH TYR A 23 -1.523 10.324 -5.389 1.00 0.69 H new ATOM 351 N TYR A 24 -1.773 2.091 -2.521 1.00 0.31 N ATOM 352 CA TYR A 24 -1.283 0.775 -2.166 1.00 0.35 C ATOM 353 C TYR A 24 -0.114 0.430 -3.073 1.00 0.37 C ATOM 354 O TYR A 24 -0.116 0.781 -4.256 1.00 0.38 O ATOM 355 CB TYR A 24 -2.389 -0.281 -2.294 1.00 0.38 C ATOM 356 CG TYR A 24 -2.702 -0.690 -3.721 1.00 0.37 C ATOM 357 CD1 TYR A 24 -3.560 0.057 -4.519 1.00 0.37 C ATOM 358 CD2 TYR A 24 -2.135 -1.833 -4.268 1.00 0.39 C ATOM 359 CE1 TYR A 24 -3.839 -0.329 -5.819 1.00 0.40 C ATOM 360 CE2 TYR A 24 -2.405 -2.223 -5.552 1.00 0.41 C ATOM 361 CZ TYR A 24 -3.260 -1.471 -6.330 1.00 0.42 C ATOM 362 OH TYR A 24 -3.536 -1.860 -7.619 1.00 0.47 O ATOM 0 H TYR A 24 -1.706 2.310 -3.515 1.00 0.31 H new ATOM 0 HA TYR A 24 -0.957 0.783 -1.126 1.00 0.35 H new ATOM 0 HB2 TYR A 24 -2.096 -1.167 -1.731 1.00 0.38 H new ATOM 0 HB3 TYR A 24 -3.298 0.104 -1.832 1.00 0.38 H new ATOM 0 HD1 TYR A 24 -4.016 0.951 -4.120 1.00 0.37 H new ATOM 0 HD2 TYR A 24 -1.465 -2.429 -3.666 1.00 0.39 H new ATOM 0 HE1 TYR A 24 -4.506 0.261 -6.429 1.00 0.40 H new ATOM 0 HE2 TYR A 24 -1.950 -3.116 -5.954 1.00 0.41 H new ATOM 0 HH TYR A 24 -3.047 -2.684 -7.824 1.00 0.47 H new ATOM 372 N TYR A 25 0.891 -0.227 -2.527 1.00 0.39 N ATOM 373 CA TYR A 25 2.068 -0.560 -3.303 1.00 0.39 C ATOM 374 C TYR A 25 1.874 -1.881 -4.017 1.00 0.39 C ATOM 375 O TYR A 25 1.716 -2.930 -3.391 1.00 0.50 O ATOM 376 CB TYR A 25 3.309 -0.607 -2.413 1.00 0.44 C ATOM 377 CG TYR A 25 4.587 -0.958 -3.148 1.00 1.03 C ATOM 378 CD1 TYR A 25 5.374 0.031 -3.718 1.00 1.53 C ATOM 379 CD2 TYR A 25 5.002 -2.276 -3.272 1.00 1.31 C ATOM 380 CE1 TYR A 25 6.540 -0.283 -4.392 1.00 2.23 C ATOM 381 CE2 TYR A 25 6.165 -2.598 -3.943 1.00 1.98 C ATOM 382 CZ TYR A 25 6.931 -1.601 -4.501 1.00 2.45 C ATOM 383 OH TYR A 25 8.092 -1.926 -5.173 1.00 3.15 O ATOM 0 H TYR A 25 0.916 -0.539 -1.556 1.00 0.39 H new ATOM 0 HA TYR A 25 2.217 0.219 -4.051 1.00 0.39 H new ATOM 0 HB2 TYR A 25 3.434 0.363 -1.932 1.00 0.44 H new ATOM 0 HB3 TYR A 25 3.147 -1.337 -1.620 1.00 0.44 H new ATOM 0 HD1 TYR A 25 5.071 1.064 -3.634 1.00 1.53 H new ATOM 0 HD2 TYR A 25 4.405 -3.064 -2.836 1.00 1.31 H new ATOM 0 HE1 TYR A 25 7.141 0.500 -4.831 1.00 2.23 H new ATOM 0 HE2 TYR A 25 6.472 -3.630 -4.029 1.00 1.98 H new ATOM 0 HH TYR A 25 8.219 -2.898 -5.155 1.00 3.15 H new ATOM 393 N ASP A 26 1.878 -1.817 -5.331 1.00 0.36 N ATOM 394 CA ASP A 26 1.738 -3.001 -6.150 1.00 0.38 C ATOM 395 C ASP A 26 3.099 -3.414 -6.687 1.00 0.35 C ATOM 396 O ASP A 26 3.810 -2.605 -7.288 1.00 0.37 O ATOM 397 CB ASP A 26 0.770 -2.743 -7.297 1.00 0.48 C ATOM 398 CG ASP A 26 0.665 -3.932 -8.220 1.00 0.56 C ATOM 399 OD1 ASP A 26 -0.003 -4.913 -7.846 1.00 0.83 O ATOM 400 OD2 ASP A 26 1.229 -3.876 -9.329 1.00 0.59 O ATOM 0 H ASP A 26 1.978 -0.950 -5.858 1.00 0.36 H new ATOM 0 HA ASP A 26 1.336 -3.810 -5.540 1.00 0.38 H new ATOM 0 HB2 ASP A 26 -0.215 -2.507 -6.895 1.00 0.48 H new ATOM 0 HB3 ASP A 26 1.101 -1.872 -7.863 1.00 0.48 H new ATOM 405 N LYS A 27 3.471 -4.663 -6.457 1.00 0.47 N ATOM 406 CA LYS A 27 4.789 -5.143 -6.853 1.00 0.60 C ATOM 407 C LYS A 27 4.826 -5.591 -8.308 1.00 0.61 C ATOM 408 O LYS A 27 5.851 -6.068 -8.785 1.00 0.76 O ATOM 409 CB LYS A 27 5.260 -6.264 -5.929 1.00 0.82 C ATOM 410 CG LYS A 27 4.174 -6.737 -4.997 1.00 0.81 C ATOM 411 CD LYS A 27 4.719 -7.200 -3.657 1.00 0.99 C ATOM 412 CE LYS A 27 5.311 -6.041 -2.869 1.00 1.01 C ATOM 413 NZ LYS A 27 6.745 -5.796 -3.198 1.00 1.10 N ATOM 0 H LYS A 27 2.884 -5.361 -6.001 1.00 0.47 H new ATOM 0 HA LYS A 27 5.476 -4.302 -6.758 1.00 0.60 H new ATOM 0 HB2 LYS A 27 5.610 -7.103 -6.530 1.00 0.82 H new ATOM 0 HB3 LYS A 27 6.111 -5.915 -5.343 1.00 0.82 H new ATOM 0 HG2 LYS A 27 3.460 -5.929 -4.836 1.00 0.81 H new ATOM 0 HG3 LYS A 27 3.628 -7.556 -5.466 1.00 0.81 H new ATOM 0 HD2 LYS A 27 3.921 -7.665 -3.079 1.00 0.99 H new ATOM 0 HD3 LYS A 27 5.482 -7.961 -3.816 1.00 0.99 H new ATOM 0 HE2 LYS A 27 4.736 -5.137 -3.072 1.00 1.01 H new ATOM 0 HE3 LYS A 27 5.217 -6.246 -1.803 1.00 1.01 H new ATOM 0 HZ1 LYS A 27 7.163 -5.169 -2.481 1.00 1.10 H new ATOM 0 HZ2 LYS A 27 7.258 -6.701 -3.209 1.00 1.10 H new ATOM 0 HZ3 LYS A 27 6.815 -5.347 -4.134 1.00 1.10 H new ATOM 427 N ALA A 28 3.719 -5.418 -9.018 1.00 0.58 N ATOM 428 CA ALA A 28 3.698 -5.692 -10.446 1.00 0.72 C ATOM 429 C ALA A 28 4.033 -4.418 -11.206 1.00 0.87 C ATOM 430 O ALA A 28 4.378 -4.449 -12.388 1.00 1.06 O ATOM 431 CB ALA A 28 2.347 -6.248 -10.878 1.00 0.79 C ATOM 0 H ALA A 28 2.833 -5.092 -8.632 1.00 0.58 H new ATOM 0 HA ALA A 28 4.446 -6.451 -10.674 1.00 0.72 H new ATOM 0 HB1 ALA A 28 2.360 -6.444 -11.950 1.00 0.79 H new ATOM 0 HB2 ALA A 28 2.147 -7.176 -10.342 1.00 0.79 H new ATOM 0 HB3 ALA A 28 1.566 -5.523 -10.651 1.00 0.79 H new ATOM 437 N THR A 29 3.932 -3.296 -10.507 1.00 0.85 N ATOM 438 CA THR A 29 4.307 -2.007 -11.063 1.00 1.03 C ATOM 439 C THR A 29 5.511 -1.438 -10.315 1.00 0.92 C ATOM 440 O THR A 29 6.110 -0.444 -10.732 1.00 1.06 O ATOM 441 CB THR A 29 3.129 -1.002 -11.014 1.00 1.12 C ATOM 442 OG1 THR A 29 3.530 0.277 -11.529 1.00 1.33 O ATOM 443 CG2 THR A 29 2.607 -0.839 -9.595 1.00 0.89 C ATOM 0 H THR A 29 3.591 -3.255 -9.547 1.00 0.85 H new ATOM 0 HA THR A 29 4.573 -2.162 -12.109 1.00 1.03 H new ATOM 0 HB THR A 29 2.330 -1.403 -11.637 1.00 1.12 H new ATOM 0 HG1 THR A 29 3.977 0.789 -10.823 1.00 1.33 H new ATOM 0 HG21 THR A 29 1.781 -0.128 -9.591 1.00 0.89 H new ATOM 0 HG22 THR A 29 2.259 -1.802 -9.223 1.00 0.89 H new ATOM 0 HG23 THR A 29 3.407 -0.470 -8.953 1.00 0.89 H new ATOM 451 N SER A 30 5.857 -2.101 -9.210 1.00 0.76 N ATOM 452 CA SER A 30 6.980 -1.714 -8.365 1.00 0.84 C ATOM 453 C SER A 30 6.828 -0.282 -7.856 1.00 0.70 C ATOM 454 O SER A 30 7.807 0.455 -7.726 1.00 0.89 O ATOM 455 CB SER A 30 8.284 -1.890 -9.131 1.00 1.21 C ATOM 456 OG SER A 30 8.424 -3.232 -9.573 1.00 1.99 O ATOM 0 H SER A 30 5.360 -2.927 -8.877 1.00 0.76 H new ATOM 0 HA SER A 30 6.996 -2.364 -7.490 1.00 0.84 H new ATOM 0 HB2 SER A 30 8.304 -1.215 -9.987 1.00 1.21 H new ATOM 0 HB3 SER A 30 9.126 -1.621 -8.493 1.00 1.21 H new ATOM 0 HG SER A 30 9.266 -3.328 -10.065 1.00 1.99 H new ATOM 462 N SER A 31 5.592 0.094 -7.556 1.00 0.45 N ATOM 463 CA SER A 31 5.285 1.423 -7.055 1.00 0.40 C ATOM 464 C SER A 31 3.871 1.458 -6.490 1.00 0.33 C ATOM 465 O SER A 31 3.178 0.438 -6.469 1.00 0.31 O ATOM 466 CB SER A 31 5.453 2.462 -8.163 1.00 0.47 C ATOM 467 OG SER A 31 4.951 1.978 -9.401 1.00 1.05 O ATOM 0 H SER A 31 4.778 -0.513 -7.653 1.00 0.45 H new ATOM 0 HA SER A 31 5.982 1.666 -6.253 1.00 0.40 H new ATOM 0 HB2 SER A 31 4.930 3.378 -7.889 1.00 0.47 H new ATOM 0 HB3 SER A 31 6.507 2.717 -8.270 1.00 0.47 H new ATOM 0 HG SER A 31 5.544 1.277 -9.743 1.00 1.05 H new ATOM 473 N CYS A 32 3.446 2.621 -6.029 1.00 0.37 N ATOM 474 CA CYS A 32 2.157 2.738 -5.371 1.00 0.35 C ATOM 475 C CYS A 32 1.077 3.287 -6.296 1.00 0.32 C ATOM 476 O CYS A 32 1.239 4.334 -6.926 1.00 0.36 O ATOM 477 CB CYS A 32 2.252 3.607 -4.124 1.00 0.48 C ATOM 478 SG CYS A 32 2.278 2.633 -2.588 1.00 1.22 S ATOM 0 H CYS A 32 3.971 3.493 -6.097 1.00 0.37 H new ATOM 0 HA CYS A 32 1.870 1.726 -5.084 1.00 0.35 H new ATOM 0 HB2 CYS A 32 3.155 4.216 -4.178 1.00 0.48 H new ATOM 0 HB3 CYS A 32 1.406 4.293 -4.099 1.00 0.48 H new ATOM 483 N LYS A 33 -0.025 2.562 -6.344 1.00 0.33 N ATOM 484 CA LYS A 33 -1.220 2.973 -7.063 1.00 0.38 C ATOM 485 C LYS A 33 -2.266 3.356 -6.021 1.00 0.30 C ATOM 486 O LYS A 33 -1.946 3.427 -4.842 1.00 0.37 O ATOM 487 CB LYS A 33 -1.705 1.817 -7.964 1.00 0.56 C ATOM 488 CG LYS A 33 -2.953 2.081 -8.809 1.00 0.77 C ATOM 489 CD LYS A 33 -2.734 3.126 -9.900 1.00 0.76 C ATOM 490 CE LYS A 33 -2.681 4.534 -9.343 1.00 1.31 C ATOM 491 NZ LYS A 33 -2.907 5.563 -10.389 1.00 2.22 N ATOM 0 H LYS A 33 -0.118 1.659 -5.879 1.00 0.33 H new ATOM 0 HA LYS A 33 -1.025 3.826 -7.713 1.00 0.38 H new ATOM 0 HB2 LYS A 33 -0.891 1.545 -8.636 1.00 0.56 H new ATOM 0 HB3 LYS A 33 -1.900 0.951 -7.331 1.00 0.56 H new ATOM 0 HG2 LYS A 33 -3.276 1.147 -9.270 1.00 0.77 H new ATOM 0 HG3 LYS A 33 -3.762 2.411 -8.157 1.00 0.77 H new ATOM 0 HD2 LYS A 33 -1.804 2.910 -10.426 1.00 0.76 H new ATOM 0 HD3 LYS A 33 -3.538 3.057 -10.633 1.00 0.76 H new ATOM 0 HE2 LYS A 33 -3.434 4.642 -8.562 1.00 1.31 H new ATOM 0 HE3 LYS A 33 -1.710 4.701 -8.876 1.00 1.31 H new ATOM 0 HZ1 LYS A 33 -2.862 6.509 -9.960 1.00 2.22 H new ATOM 0 HZ2 LYS A 33 -2.174 5.479 -11.122 1.00 2.22 H new ATOM 0 HZ3 LYS A 33 -3.844 5.422 -10.818 1.00 2.22 H new ATOM 505 N THR A 34 -3.488 3.601 -6.433 1.00 0.43 N ATOM 506 CA THR A 34 -4.531 3.972 -5.494 1.00 0.36 C ATOM 507 C THR A 34 -5.681 2.988 -5.519 1.00 0.38 C ATOM 508 O THR A 34 -5.824 2.204 -6.461 1.00 0.44 O ATOM 509 CB THR A 34 -5.074 5.383 -5.740 1.00 0.36 C ATOM 510 OG1 THR A 34 -5.170 5.649 -7.148 1.00 0.42 O ATOM 511 CG2 THR A 34 -4.198 6.416 -5.070 1.00 0.36 C ATOM 0 H THR A 34 -3.788 3.552 -7.407 1.00 0.43 H new ATOM 0 HA THR A 34 -4.059 3.953 -4.512 1.00 0.36 H new ATOM 0 HB THR A 34 -6.072 5.443 -5.307 1.00 0.36 H new ATOM 0 HG1 THR A 34 -5.520 6.554 -7.287 1.00 0.42 H new ATOM 0 HG21 THR A 34 -4.601 7.411 -5.257 1.00 0.36 H new ATOM 0 HG22 THR A 34 -4.173 6.230 -3.996 1.00 0.36 H new ATOM 0 HG23 THR A 34 -3.187 6.352 -5.473 1.00 0.36 H new ATOM 519 N PHE A 35 -6.502 3.045 -4.483 1.00 0.37 N ATOM 520 CA PHE A 35 -7.599 2.120 -4.326 1.00 0.41 C ATOM 521 C PHE A 35 -8.551 2.644 -3.281 1.00 0.36 C ATOM 522 O PHE A 35 -8.215 3.521 -2.480 1.00 0.32 O ATOM 523 CB PHE A 35 -7.083 0.711 -3.970 1.00 0.47 C ATOM 524 CG PHE A 35 -6.602 0.507 -2.548 1.00 0.45 C ATOM 525 CD1 PHE A 35 -5.928 1.500 -1.846 1.00 0.36 C ATOM 526 CD2 PHE A 35 -6.826 -0.710 -1.922 1.00 0.60 C ATOM 527 CE1 PHE A 35 -5.495 1.275 -0.552 1.00 0.41 C ATOM 528 CE2 PHE A 35 -6.395 -0.935 -0.629 1.00 0.67 C ATOM 529 CZ PHE A 35 -5.729 0.059 0.056 1.00 0.57 C ATOM 0 H PHE A 35 -6.423 3.732 -3.734 1.00 0.37 H new ATOM 0 HA PHE A 35 -8.136 2.033 -5.271 1.00 0.41 H new ATOM 0 HB2 PHE A 35 -7.882 -0.004 -4.166 1.00 0.47 H new ATOM 0 HB3 PHE A 35 -6.263 0.467 -4.646 1.00 0.47 H new ATOM 0 HD1 PHE A 35 -5.741 2.455 -2.315 1.00 0.36 H new ATOM 0 HD2 PHE A 35 -7.345 -1.494 -2.453 1.00 0.60 H new ATOM 0 HE1 PHE A 35 -4.972 2.053 -0.016 1.00 0.41 H new ATOM 0 HE2 PHE A 35 -6.579 -1.888 -0.155 1.00 0.67 H new ATOM 0 HZ PHE A 35 -5.391 -0.114 1.067 1.00 0.57 H new ATOM 539 N ARG A 36 -9.747 2.116 -3.326 1.00 0.43 N ATOM 540 CA ARG A 36 -10.821 2.523 -2.459 1.00 0.41 C ATOM 541 C ARG A 36 -10.548 2.109 -1.023 1.00 0.38 C ATOM 542 O ARG A 36 -11.201 2.589 -0.096 1.00 0.40 O ATOM 543 CB ARG A 36 -12.075 1.826 -2.940 1.00 0.50 C ATOM 544 CG ARG A 36 -12.560 2.274 -4.309 1.00 0.60 C ATOM 545 CD ARG A 36 -12.982 3.730 -4.300 1.00 0.67 C ATOM 546 NE ARG A 36 -13.529 4.153 -5.586 1.00 0.83 N ATOM 547 CZ ARG A 36 -14.266 5.249 -5.759 1.00 1.12 C ATOM 548 NH1 ARG A 36 -14.523 6.050 -4.731 1.00 1.37 N ATOM 549 NH2 ARG A 36 -14.739 5.545 -6.963 1.00 1.28 N ATOM 0 H ARG A 36 -10.006 1.377 -3.979 1.00 0.43 H new ATOM 0 HA ARG A 36 -10.925 3.608 -2.486 1.00 0.41 H new ATOM 0 HB2 ARG A 36 -11.891 0.752 -2.967 1.00 0.50 H new ATOM 0 HB3 ARG A 36 -12.870 1.994 -2.214 1.00 0.50 H new ATOM 0 HG2 ARG A 36 -11.767 2.128 -5.043 1.00 0.60 H new ATOM 0 HG3 ARG A 36 -13.400 1.653 -4.620 1.00 0.60 H new ATOM 0 HD2 ARG A 36 -13.728 3.886 -3.521 1.00 0.67 H new ATOM 0 HD3 ARG A 36 -12.124 4.354 -4.049 1.00 0.67 H new ATOM 0 HE ARG A 36 -13.335 3.573 -6.402 1.00 0.83 H new ATOM 0 HH11 ARG A 36 -14.156 5.827 -3.806 1.00 1.37 H new ATOM 0 HH12 ARG A 36 -15.088 6.889 -4.867 1.00 1.37 H new ATOM 0 HH21 ARG A 36 -14.538 4.934 -7.754 1.00 1.28 H new ATOM 0 HH22 ARG A 36 -15.304 6.384 -7.097 1.00 1.28 H new ATOM 563 N TYR A 37 -9.608 1.177 -0.882 1.00 0.41 N ATOM 564 CA TYR A 37 -9.265 0.535 0.388 1.00 0.50 C ATOM 565 C TYR A 37 -10.328 -0.501 0.766 1.00 0.70 C ATOM 566 O TYR A 37 -10.133 -1.326 1.650 1.00 0.88 O ATOM 567 CB TYR A 37 -9.060 1.560 1.517 1.00 0.49 C ATOM 568 CG TYR A 37 -8.915 0.939 2.890 1.00 0.66 C ATOM 569 CD1 TYR A 37 -7.758 0.263 3.250 1.00 0.62 C ATOM 570 CD2 TYR A 37 -9.942 1.022 3.819 1.00 1.01 C ATOM 571 CE1 TYR A 37 -7.630 -0.315 4.498 1.00 0.81 C ATOM 572 CE2 TYR A 37 -9.822 0.449 5.069 1.00 1.21 C ATOM 573 CZ TYR A 37 -8.664 -0.219 5.404 1.00 1.10 C ATOM 574 OH TYR A 37 -8.546 -0.799 6.645 1.00 1.31 O ATOM 0 H TYR A 37 -9.050 0.838 -1.665 1.00 0.41 H new ATOM 0 HA TYR A 37 -8.313 0.022 0.253 1.00 0.50 H new ATOM 0 HB2 TYR A 37 -8.170 2.151 1.301 1.00 0.49 H new ATOM 0 HB3 TYR A 37 -9.905 2.248 1.528 1.00 0.49 H new ATOM 0 HD1 TYR A 37 -6.945 0.188 2.543 1.00 0.62 H new ATOM 0 HD2 TYR A 37 -10.851 1.544 3.560 1.00 1.01 H new ATOM 0 HE1 TYR A 37 -6.724 -0.840 4.763 1.00 0.81 H new ATOM 0 HE2 TYR A 37 -10.631 0.524 5.781 1.00 1.21 H new ATOM 0 HH TYR A 37 -9.363 -0.637 7.161 1.00 1.31 H new ATOM 584 N ARG A 38 -11.433 -0.472 0.055 1.00 0.77 N ATOM 585 CA ARG A 38 -12.531 -1.384 0.295 1.00 1.00 C ATOM 586 C ARG A 38 -12.581 -2.386 -0.852 1.00 2.00 C ATOM 587 O ARG A 38 -13.427 -2.302 -1.743 1.00 2.42 O ATOM 588 CB ARG A 38 -13.846 -0.603 0.420 1.00 1.51 C ATOM 589 CG ARG A 38 -14.971 -1.367 1.111 1.00 2.19 C ATOM 590 CD ARG A 38 -15.613 -2.399 0.196 1.00 3.08 C ATOM 591 NE ARG A 38 -16.722 -3.097 0.841 1.00 3.58 N ATOM 592 CZ ARG A 38 -16.938 -4.405 0.734 1.00 4.27 C ATOM 593 NH1 ARG A 38 -16.079 -5.168 0.070 1.00 4.56 N ATOM 594 NH2 ARG A 38 -18.003 -4.951 1.306 1.00 4.98 N ATOM 0 H ARG A 38 -11.597 0.185 -0.707 1.00 0.77 H new ATOM 0 HA ARG A 38 -12.384 -1.923 1.231 1.00 1.00 H new ATOM 0 HB2 ARG A 38 -13.656 0.318 0.972 1.00 1.51 H new ATOM 0 HB3 ARG A 38 -14.179 -0.314 -0.577 1.00 1.51 H new ATOM 0 HG2 ARG A 38 -14.578 -1.865 1.998 1.00 2.19 H new ATOM 0 HG3 ARG A 38 -15.731 -0.663 1.451 1.00 2.19 H new ATOM 0 HD2 ARG A 38 -15.973 -1.907 -0.708 1.00 3.08 H new ATOM 0 HD3 ARG A 38 -14.861 -3.124 -0.114 1.00 3.08 H new ATOM 0 HE ARG A 38 -17.369 -2.549 1.407 1.00 3.58 H new ATOM 0 HH11 ARG A 38 -15.252 -4.751 -0.359 1.00 4.56 H new ATOM 0 HH12 ARG A 38 -16.245 -6.171 -0.012 1.00 4.56 H new ATOM 0 HH21 ARG A 38 -18.657 -4.368 1.828 1.00 4.98 H new ATOM 0 HH22 ARG A 38 -18.168 -5.954 1.224 1.00 4.98 H new ATOM 608 N GLY A 39 -11.623 -3.293 -0.852 1.00 2.76 N ATOM 609 CA GLY A 39 -11.565 -4.313 -1.873 1.00 4.10 C ATOM 610 C GLY A 39 -12.148 -5.627 -1.403 1.00 4.55 C ATOM 611 O GLY A 39 -13.365 -5.761 -1.249 1.00 5.07 O ATOM 0 H GLY A 39 -10.878 -3.342 -0.157 1.00 2.76 H new ATOM 0 HA2 GLY A 39 -12.107 -3.972 -2.755 1.00 4.10 H new ATOM 0 HA3 GLY A 39 -10.528 -4.465 -2.174 1.00 4.10 H new ATOM 615 N SER A 40 -11.284 -6.601 -1.176 1.00 4.61 N ATOM 616 CA SER A 40 -11.715 -7.917 -0.781 1.00 5.12 C ATOM 617 C SER A 40 -10.961 -8.407 0.444 1.00 4.53 C ATOM 618 O SER A 40 -10.760 -9.607 0.630 1.00 4.80 O ATOM 619 CB SER A 40 -11.505 -8.871 -1.946 1.00 6.17 C ATOM 620 OG SER A 40 -12.172 -8.413 -3.116 1.00 6.84 O ATOM 0 H SER A 40 -10.273 -6.497 -1.261 1.00 4.61 H new ATOM 0 HA SER A 40 -12.771 -7.876 -0.516 1.00 5.12 H new ATOM 0 HB2 SER A 40 -10.439 -8.972 -2.149 1.00 6.17 H new ATOM 0 HB3 SER A 40 -11.874 -9.861 -1.679 1.00 6.17 H new ATOM 0 HG SER A 40 -12.018 -9.045 -3.849 1.00 6.84 H new ATOM 626 N GLY A 41 -10.545 -7.478 1.278 1.00 3.96 N ATOM 627 CA GLY A 41 -9.889 -7.843 2.505 1.00 3.59 C ATOM 628 C GLY A 41 -8.400 -8.047 2.322 1.00 3.07 C ATOM 629 O GLY A 41 -7.746 -7.280 1.612 1.00 3.44 O ATOM 0 H GLY A 41 -10.650 -6.475 1.127 1.00 3.96 H new ATOM 0 HA2 GLY A 41 -10.058 -7.065 3.250 1.00 3.59 H new ATOM 0 HA3 GLY A 41 -10.334 -8.759 2.894 1.00 3.59 H new ATOM 633 N GLY A 42 -7.870 -9.084 2.952 1.00 2.79 N ATOM 634 CA GLY A 42 -6.457 -9.381 2.838 1.00 2.71 C ATOM 635 C GLY A 42 -5.669 -8.827 4.005 1.00 2.08 C ATOM 636 O GLY A 42 -6.245 -8.470 5.035 1.00 2.24 O ATOM 0 H GLY A 42 -8.396 -9.728 3.543 1.00 2.79 H new ATOM 0 HA2 GLY A 42 -6.316 -10.460 2.784 1.00 2.71 H new ATOM 0 HA3 GLY A 42 -6.072 -8.963 1.908 1.00 2.71 H new ATOM 640 N ASN A 43 -4.357 -8.749 3.849 1.00 1.76 N ATOM 641 CA ASN A 43 -3.497 -8.213 4.896 1.00 1.73 C ATOM 642 C ASN A 43 -2.225 -7.638 4.298 1.00 1.55 C ATOM 643 O ASN A 43 -1.498 -8.329 3.584 1.00 2.22 O ATOM 644 CB ASN A 43 -3.142 -9.294 5.915 1.00 2.77 C ATOM 645 CG ASN A 43 -2.366 -8.738 7.095 1.00 3.55 C ATOM 646 OD1 ASN A 43 -2.551 -7.583 7.484 1.00 3.98 O ATOM 647 ND2 ASN A 43 -1.500 -9.553 7.675 1.00 4.26 N ATOM 0 H ASN A 43 -3.863 -9.049 3.009 1.00 1.76 H new ATOM 0 HA ASN A 43 -4.044 -7.418 5.404 1.00 1.73 H new ATOM 0 HB2 ASN A 43 -4.056 -9.767 6.274 1.00 2.77 H new ATOM 0 HB3 ASN A 43 -2.552 -10.070 5.428 1.00 2.77 H new ATOM 0 HD21 ASN A 43 -0.955 -9.232 8.476 1.00 4.26 H new ATOM 0 HD22 ASN A 43 -1.377 -10.502 7.322 1.00 4.26 H new ATOM 654 N GLY A 44 -1.967 -6.379 4.609 1.00 1.34 N ATOM 655 CA GLY A 44 -0.816 -5.685 4.075 1.00 1.54 C ATOM 656 C GLY A 44 -0.652 -4.327 4.720 1.00 1.22 C ATOM 657 O GLY A 44 -0.342 -4.238 5.909 1.00 1.94 O ATOM 0 H GLY A 44 -2.546 -5.817 5.233 1.00 1.34 H new ATOM 0 HA2 GLY A 44 0.081 -6.281 4.241 1.00 1.54 H new ATOM 0 HA3 GLY A 44 -0.926 -5.568 2.997 1.00 1.54 H new ATOM 661 N ASN A 45 -0.890 -3.267 3.957 1.00 0.77 N ATOM 662 CA ASN A 45 -0.778 -1.912 4.485 1.00 0.80 C ATOM 663 C ASN A 45 -1.515 -0.921 3.591 1.00 0.86 C ATOM 664 O ASN A 45 -1.479 -1.030 2.367 1.00 1.81 O ATOM 665 CB ASN A 45 0.695 -1.505 4.607 1.00 1.26 C ATOM 666 CG ASN A 45 0.886 -0.199 5.361 1.00 1.73 C ATOM 667 OD1 ASN A 45 0.869 0.882 4.776 1.00 2.35 O ATOM 668 ND2 ASN A 45 1.079 -0.295 6.666 1.00 2.14 N ATOM 0 H ASN A 45 -1.161 -3.318 2.975 1.00 0.77 H new ATOM 0 HA ASN A 45 -1.234 -1.897 5.475 1.00 0.80 H new ATOM 0 HB2 ASN A 45 1.245 -2.297 5.116 1.00 1.26 H new ATOM 0 HB3 ASN A 45 1.124 -1.409 3.610 1.00 1.26 H new ATOM 0 HD21 ASN A 45 1.221 0.547 7.224 1.00 2.14 H new ATOM 0 HD22 ASN A 45 1.086 -1.211 7.114 1.00 2.14 H new ATOM 675 N ARG A 46 -2.194 0.033 4.214 1.00 0.61 N ATOM 676 CA ARG A 46 -2.861 1.102 3.486 1.00 0.45 C ATOM 677 C ARG A 46 -1.984 2.348 3.478 1.00 0.38 C ATOM 678 O ARG A 46 -1.612 2.862 4.533 1.00 0.47 O ATOM 679 CB ARG A 46 -4.223 1.419 4.117 1.00 0.45 C ATOM 680 CG ARG A 46 -4.844 2.712 3.610 1.00 0.45 C ATOM 681 CD ARG A 46 -6.116 3.061 4.364 1.00 0.67 C ATOM 682 NE ARG A 46 -5.886 3.212 5.801 1.00 1.26 N ATOM 683 CZ ARG A 46 -6.828 3.562 6.675 1.00 1.65 C ATOM 684 NH1 ARG A 46 -8.052 3.857 6.258 1.00 1.74 N ATOM 685 NH2 ARG A 46 -6.536 3.633 7.968 1.00 2.59 N ATOM 0 H ARG A 46 -2.297 0.087 5.227 1.00 0.61 H new ATOM 0 HA ARG A 46 -3.026 0.774 2.460 1.00 0.45 H new ATOM 0 HB2 ARG A 46 -4.907 0.594 3.917 1.00 0.45 H new ATOM 0 HB3 ARG A 46 -4.107 1.482 5.199 1.00 0.45 H new ATOM 0 HG2 ARG A 46 -4.126 3.525 3.713 1.00 0.45 H new ATOM 0 HG3 ARG A 46 -5.066 2.616 2.547 1.00 0.45 H new ATOM 0 HD2 ARG A 46 -6.530 3.987 3.965 1.00 0.67 H new ATOM 0 HD3 ARG A 46 -6.860 2.282 4.197 1.00 0.67 H new ATOM 0 HE ARG A 46 -4.946 3.038 6.156 1.00 1.26 H new ATOM 0 HH11 ARG A 46 -8.276 3.816 5.264 1.00 1.74 H new ATOM 0 HH12 ARG A 46 -8.770 4.124 6.932 1.00 1.74 H new ATOM 0 HH21 ARG A 46 -5.592 3.420 8.290 1.00 2.59 H new ATOM 0 HH22 ARG A 46 -7.256 3.901 8.639 1.00 2.59 H new ATOM 699 N PHE A 47 -1.665 2.836 2.295 1.00 0.30 N ATOM 700 CA PHE A 47 -0.802 4.000 2.166 1.00 0.26 C ATOM 701 C PHE A 47 -1.646 5.245 1.936 1.00 0.26 C ATOM 702 O PHE A 47 -2.594 5.226 1.164 1.00 0.40 O ATOM 703 CB PHE A 47 0.187 3.799 1.015 1.00 0.28 C ATOM 704 CG PHE A 47 1.174 2.707 1.284 1.00 0.39 C ATOM 705 CD1 PHE A 47 2.150 2.880 2.246 1.00 0.45 C ATOM 706 CD2 PHE A 47 1.127 1.514 0.586 1.00 0.52 C ATOM 707 CE1 PHE A 47 3.064 1.887 2.511 1.00 0.59 C ATOM 708 CE2 PHE A 47 2.042 0.511 0.845 1.00 0.65 C ATOM 709 CZ PHE A 47 3.013 0.698 1.810 1.00 0.68 C ATOM 0 H PHE A 47 -1.988 2.447 1.409 1.00 0.30 H new ATOM 0 HA PHE A 47 -0.234 4.128 3.088 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -0.365 3.568 0.104 1.00 0.28 H new ATOM 0 HB3 PHE A 47 0.723 4.731 0.835 1.00 0.28 H new ATOM 0 HD1 PHE A 47 2.196 3.807 2.797 1.00 0.45 H new ATOM 0 HD2 PHE A 47 0.369 1.365 -0.168 1.00 0.52 H new ATOM 0 HE1 PHE A 47 3.821 2.037 3.267 1.00 0.59 H new ATOM 0 HE2 PHE A 47 1.998 -0.417 0.294 1.00 0.65 H new ATOM 0 HZ PHE A 47 3.730 -0.083 2.016 1.00 0.68 H new ATOM 719 N LYS A 48 -1.319 6.324 2.626 1.00 0.30 N ATOM 720 CA LYS A 48 -2.071 7.569 2.481 1.00 0.34 C ATOM 721 C LYS A 48 -1.626 8.323 1.248 1.00 0.35 C ATOM 722 O LYS A 48 -2.439 8.915 0.543 1.00 0.41 O ATOM 723 CB LYS A 48 -1.910 8.459 3.710 1.00 0.47 C ATOM 724 CG LYS A 48 -2.955 8.222 4.787 1.00 0.85 C ATOM 725 CD LYS A 48 -3.151 6.745 5.084 1.00 0.84 C ATOM 726 CE LYS A 48 -4.213 6.534 6.148 1.00 1.33 C ATOM 727 NZ LYS A 48 -5.484 7.224 5.802 1.00 2.50 N ATOM 0 H LYS A 48 -0.545 6.369 3.289 1.00 0.30 H new ATOM 0 HA LYS A 48 -3.123 7.304 2.378 1.00 0.34 H new ATOM 0 HB2 LYS A 48 -0.920 8.296 4.137 1.00 0.47 H new ATOM 0 HB3 LYS A 48 -1.955 9.503 3.398 1.00 0.47 H new ATOM 0 HG2 LYS A 48 -2.656 8.738 5.700 1.00 0.85 H new ATOM 0 HG3 LYS A 48 -3.904 8.656 4.472 1.00 0.85 H new ATOM 0 HD2 LYS A 48 -3.439 6.223 4.171 1.00 0.84 H new ATOM 0 HD3 LYS A 48 -2.208 6.310 5.416 1.00 0.84 H new ATOM 0 HE2 LYS A 48 -4.400 5.467 6.269 1.00 1.33 H new ATOM 0 HE3 LYS A 48 -3.847 6.904 7.106 1.00 1.33 H new ATOM 0 HZ1 LYS A 48 -6.237 6.910 6.447 1.00 2.50 H new ATOM 0 HZ2 LYS A 48 -5.357 8.252 5.893 1.00 2.50 H new ATOM 0 HZ3 LYS A 48 -5.749 6.993 4.823 1.00 2.50 H new ATOM 741 N THR A 49 -0.328 8.314 1.008 1.00 0.36 N ATOM 742 CA THR A 49 0.240 8.952 -0.161 1.00 0.42 C ATOM 743 C THR A 49 1.301 8.043 -0.764 1.00 0.37 C ATOM 744 O THR A 49 1.911 7.237 -0.056 1.00 0.36 O ATOM 745 CB THR A 49 0.863 10.316 0.196 1.00 0.53 C ATOM 746 OG1 THR A 49 1.880 10.144 1.190 1.00 0.52 O ATOM 747 CG2 THR A 49 -0.192 11.279 0.717 1.00 0.67 C ATOM 0 H THR A 49 0.358 7.866 1.616 1.00 0.36 H new ATOM 0 HA THR A 49 -0.557 9.124 -0.884 1.00 0.42 H new ATOM 0 HB THR A 49 1.300 10.735 -0.711 1.00 0.53 H new ATOM 0 HG1 THR A 49 2.272 11.014 1.411 1.00 0.52 H new ATOM 0 HG21 THR A 49 0.275 12.233 0.961 1.00 0.67 H new ATOM 0 HG22 THR A 49 -0.954 11.433 -0.048 1.00 0.67 H new ATOM 0 HG23 THR A 49 -0.655 10.862 1.612 1.00 0.67 H new ATOM 755 N LEU A 50 1.520 8.158 -2.068 1.00 0.36 N ATOM 756 CA LEU A 50 2.526 7.350 -2.731 1.00 0.32 C ATOM 757 C LEU A 50 3.901 7.845 -2.325 1.00 0.27 C ATOM 758 O LEU A 50 4.854 7.092 -2.308 1.00 0.24 O ATOM 759 CB LEU A 50 2.264 7.339 -4.266 1.00 0.37 C ATOM 760 CG LEU A 50 3.450 7.415 -5.255 1.00 0.47 C ATOM 761 CD1 LEU A 50 4.109 8.783 -5.204 1.00 0.55 C ATOM 762 CD2 LEU A 50 4.468 6.293 -5.039 1.00 0.49 C ATOM 0 H LEU A 50 1.016 8.799 -2.681 1.00 0.36 H new ATOM 0 HA LEU A 50 2.473 6.307 -2.420 1.00 0.32 H new ATOM 0 HB2 LEU A 50 1.711 6.428 -4.493 1.00 0.37 H new ATOM 0 HB3 LEU A 50 1.603 8.177 -4.488 1.00 0.37 H new ATOM 0 HG LEU A 50 3.042 7.270 -6.255 1.00 0.47 H new ATOM 0 HD11 LEU A 50 4.941 8.813 -5.908 1.00 0.55 H new ATOM 0 HD12 LEU A 50 3.380 9.548 -5.471 1.00 0.55 H new ATOM 0 HD13 LEU A 50 4.480 8.971 -4.196 1.00 0.55 H new ATOM 0 HD21 LEU A 50 5.279 6.394 -5.760 1.00 0.49 H new ATOM 0 HD22 LEU A 50 4.871 6.357 -4.028 1.00 0.49 H new ATOM 0 HD23 LEU A 50 3.980 5.328 -5.175 1.00 0.49 H new ATOM 774 N GLU A 51 3.979 9.102 -1.931 1.00 0.29 N ATOM 775 CA GLU A 51 5.245 9.676 -1.500 1.00 0.27 C ATOM 776 C GLU A 51 5.661 9.113 -0.140 1.00 0.24 C ATOM 777 O GLU A 51 6.845 8.983 0.151 1.00 0.25 O ATOM 778 CB GLU A 51 5.159 11.201 -1.447 1.00 0.33 C ATOM 779 CG GLU A 51 4.092 11.717 -0.498 1.00 0.44 C ATOM 780 CD GLU A 51 4.067 13.227 -0.417 1.00 0.61 C ATOM 781 OE1 GLU A 51 4.928 13.802 0.283 1.00 0.76 O ATOM 782 OE2 GLU A 51 3.185 13.843 -1.050 1.00 0.87 O ATOM 0 H GLU A 51 3.187 9.744 -1.899 1.00 0.29 H new ATOM 0 HA GLU A 51 6.006 9.402 -2.230 1.00 0.27 H new ATOM 0 HB2 GLU A 51 6.127 11.601 -1.144 1.00 0.33 H new ATOM 0 HB3 GLU A 51 4.957 11.580 -2.449 1.00 0.33 H new ATOM 0 HG2 GLU A 51 3.116 11.358 -0.825 1.00 0.44 H new ATOM 0 HG3 GLU A 51 4.266 11.306 0.497 1.00 0.44 H new ATOM 789 N ASP A 52 4.677 8.796 0.687 1.00 0.27 N ATOM 790 CA ASP A 52 4.914 8.105 1.958 1.00 0.29 C ATOM 791 C ASP A 52 5.347 6.683 1.668 1.00 0.27 C ATOM 792 O ASP A 52 6.351 6.180 2.187 1.00 0.29 O ATOM 793 CB ASP A 52 3.619 8.078 2.777 1.00 0.34 C ATOM 794 CG ASP A 52 3.759 7.357 4.106 1.00 0.44 C ATOM 795 OD1 ASP A 52 3.751 6.108 4.118 1.00 0.63 O ATOM 796 OD2 ASP A 52 3.919 8.037 5.141 1.00 0.51 O ATOM 0 H ASP A 52 3.696 9.006 0.504 1.00 0.27 H new ATOM 0 HA ASP A 52 5.688 8.626 2.521 1.00 0.29 H new ATOM 0 HB2 ASP A 52 3.293 9.102 2.960 1.00 0.34 H new ATOM 0 HB3 ASP A 52 2.837 7.595 2.191 1.00 0.34 H new ATOM 801 N CYS A 53 4.550 6.058 0.829 1.00 0.25 N ATOM 802 CA CYS A 53 4.796 4.718 0.336 1.00 0.25 C ATOM 803 C CYS A 53 6.187 4.580 -0.285 1.00 0.25 C ATOM 804 O CYS A 53 6.982 3.735 0.131 1.00 0.31 O ATOM 805 CB CYS A 53 3.725 4.399 -0.695 1.00 0.24 C ATOM 806 SG CYS A 53 4.090 2.988 -1.769 1.00 0.29 S ATOM 0 H CYS A 53 3.695 6.475 0.462 1.00 0.25 H new ATOM 0 HA CYS A 53 4.757 4.017 1.170 1.00 0.25 H new ATOM 0 HB2 CYS A 53 2.787 4.206 -0.174 1.00 0.24 H new ATOM 0 HB3 CYS A 53 3.569 5.279 -1.318 1.00 0.24 H new ATOM 811 N GLU A 54 6.481 5.420 -1.272 1.00 0.22 N ATOM 812 CA GLU A 54 7.746 5.347 -1.981 1.00 0.26 C ATOM 813 C GLU A 54 8.877 5.730 -1.066 1.00 0.28 C ATOM 814 O GLU A 54 10.011 5.307 -1.266 1.00 0.32 O ATOM 815 CB GLU A 54 7.771 6.261 -3.208 1.00 0.27 C ATOM 816 CG GLU A 54 7.900 7.743 -2.885 1.00 0.25 C ATOM 817 CD GLU A 54 8.163 8.588 -4.116 1.00 0.32 C ATOM 818 OE1 GLU A 54 9.343 8.723 -4.507 1.00 0.52 O ATOM 819 OE2 GLU A 54 7.202 9.117 -4.707 1.00 0.44 O ATOM 0 H GLU A 54 5.857 6.159 -1.597 1.00 0.22 H new ATOM 0 HA GLU A 54 7.864 4.317 -2.317 1.00 0.26 H new ATOM 0 HB2 GLU A 54 8.603 5.967 -3.848 1.00 0.27 H new ATOM 0 HB3 GLU A 54 6.857 6.105 -3.781 1.00 0.27 H new ATOM 0 HG2 GLU A 54 6.985 8.087 -2.402 1.00 0.25 H new ATOM 0 HG3 GLU A 54 8.711 7.886 -2.171 1.00 0.25 H new ATOM 826 N ALA A 55 8.570 6.535 -0.067 1.00 0.29 N ATOM 827 CA ALA A 55 9.578 6.952 0.865 1.00 0.33 C ATOM 828 C ALA A 55 10.218 5.725 1.483 1.00 0.36 C ATOM 829 O ALA A 55 11.372 5.425 1.216 1.00 0.42 O ATOM 830 CB ALA A 55 8.999 7.873 1.932 1.00 0.35 C ATOM 0 H ALA A 55 7.637 6.906 0.112 1.00 0.29 H new ATOM 0 HA ALA A 55 10.340 7.524 0.336 1.00 0.33 H new ATOM 0 HB1 ALA A 55 9.788 8.171 2.622 1.00 0.35 H new ATOM 0 HB2 ALA A 55 8.578 8.759 1.458 1.00 0.35 H new ATOM 0 HB3 ALA A 55 8.217 7.348 2.480 1.00 0.35 H new ATOM 836 N THR A 56 9.437 4.971 2.228 1.00 0.34 N ATOM 837 CA THR A 56 9.966 3.809 2.925 1.00 0.37 C ATOM 838 C THR A 56 10.327 2.677 1.956 1.00 0.34 C ATOM 839 O THR A 56 11.403 2.086 2.053 1.00 0.41 O ATOM 840 CB THR A 56 8.987 3.304 4.013 1.00 0.38 C ATOM 841 OG1 THR A 56 9.521 2.148 4.668 1.00 0.41 O ATOM 842 CG2 THR A 56 7.617 2.980 3.431 1.00 0.36 C ATOM 0 H THR A 56 8.440 5.137 2.368 1.00 0.34 H new ATOM 0 HA THR A 56 10.884 4.130 3.418 1.00 0.37 H new ATOM 0 HB THR A 56 8.864 4.107 4.739 1.00 0.38 H new ATOM 0 HG1 THR A 56 8.786 1.575 4.971 1.00 0.41 H new ATOM 0 HG21 THR A 56 6.958 2.629 4.225 1.00 0.36 H new ATOM 0 HG22 THR A 56 7.193 3.876 2.977 1.00 0.36 H new ATOM 0 HG23 THR A 56 7.718 2.203 2.673 1.00 0.36 H new ATOM 850 N CYS A 57 9.460 2.418 0.990 1.00 0.30 N ATOM 851 CA CYS A 57 9.613 1.258 0.119 1.00 0.33 C ATOM 852 C CYS A 57 10.632 1.525 -0.986 1.00 0.43 C ATOM 853 O CYS A 57 11.595 0.773 -1.146 1.00 0.61 O ATOM 854 CB CYS A 57 8.249 0.879 -0.467 1.00 0.34 C ATOM 855 SG CYS A 57 8.238 -0.558 -1.594 1.00 0.56 S ATOM 0 H CYS A 57 8.643 2.994 0.787 1.00 0.30 H new ATOM 0 HA CYS A 57 9.992 0.422 0.708 1.00 0.33 H new ATOM 0 HB2 CYS A 57 7.565 0.676 0.357 1.00 0.34 H new ATOM 0 HB3 CYS A 57 7.854 1.741 -1.004 1.00 0.34 H new ATOM 860 N VAL A 58 10.450 2.610 -1.720 1.00 0.37 N ATOM 861 CA VAL A 58 11.305 2.896 -2.862 1.00 0.46 C ATOM 862 C VAL A 58 12.746 3.207 -2.431 1.00 0.54 C ATOM 863 O VAL A 58 13.686 2.843 -3.139 1.00 0.62 O ATOM 864 CB VAL A 58 10.721 4.027 -3.753 1.00 0.46 C ATOM 865 CG1 VAL A 58 11.788 4.625 -4.661 1.00 0.58 C ATOM 866 CG2 VAL A 58 9.562 3.492 -4.594 1.00 0.47 C ATOM 0 H VAL A 58 9.723 3.304 -1.548 1.00 0.37 H new ATOM 0 HA VAL A 58 11.336 1.991 -3.469 1.00 0.46 H new ATOM 0 HB VAL A 58 10.355 4.815 -3.095 1.00 0.46 H new ATOM 0 HG11 VAL A 58 11.347 5.413 -5.271 1.00 0.58 H new ATOM 0 HG12 VAL A 58 12.590 5.043 -4.053 1.00 0.58 H new ATOM 0 HG13 VAL A 58 12.191 3.847 -5.309 1.00 0.58 H new ATOM 0 HG21 VAL A 58 9.162 4.294 -5.214 1.00 0.47 H new ATOM 0 HG22 VAL A 58 9.918 2.684 -5.232 1.00 0.47 H new ATOM 0 HG23 VAL A 58 8.778 3.116 -3.936 1.00 0.47 H new ATOM 876 N THR A 59 12.948 3.846 -1.273 1.00 0.56 N ATOM 877 CA THR A 59 14.314 4.058 -0.802 1.00 0.70 C ATOM 878 C THR A 59 14.956 2.740 -0.407 1.00 0.78 C ATOM 879 O THR A 59 16.127 2.490 -0.689 1.00 0.95 O ATOM 880 CB THR A 59 14.410 5.009 0.394 1.00 0.91 C ATOM 881 OG1 THR A 59 13.659 4.502 1.507 1.00 1.11 O ATOM 882 CG2 THR A 59 13.935 6.403 0.016 1.00 0.99 C ATOM 0 H THR A 59 12.213 4.211 -0.668 1.00 0.56 H new ATOM 0 HA THR A 59 14.839 4.515 -1.641 1.00 0.70 H new ATOM 0 HB THR A 59 15.457 5.076 0.690 1.00 0.91 H new ATOM 0 HG1 THR A 59 12.839 5.028 1.615 1.00 1.11 H new ATOM 0 HG21 THR A 59 14.012 7.061 0.882 1.00 0.99 H new ATOM 0 HG22 THR A 59 14.555 6.792 -0.792 1.00 0.99 H new ATOM 0 HG23 THR A 59 12.897 6.357 -0.313 1.00 0.99 H new ATOM 890 N ALA A 60 14.174 1.911 0.264 1.00 0.74 N ATOM 891 CA ALA A 60 14.613 0.581 0.677 1.00 0.91 C ATOM 892 C ALA A 60 14.973 -0.297 -0.519 1.00 0.96 C ATOM 893 O ALA A 60 15.707 -1.277 -0.370 1.00 1.14 O ATOM 894 CB ALA A 60 13.541 -0.089 1.515 1.00 1.09 C ATOM 0 H ALA A 60 13.218 2.137 0.539 1.00 0.74 H new ATOM 0 HA ALA A 60 15.514 0.705 1.277 1.00 0.91 H new ATOM 0 HB1 ALA A 60 13.881 -1.080 1.816 1.00 1.09 H new ATOM 0 HB2 ALA A 60 13.344 0.512 2.402 1.00 1.09 H new ATOM 0 HB3 ALA A 60 12.626 -0.182 0.929 1.00 1.09 H new ATOM 900 N GLU A 61 14.462 0.074 -1.694 1.00 0.97 N ATOM 901 CA GLU A 61 14.751 -0.618 -2.944 1.00 1.21 C ATOM 902 C GLU A 61 14.173 -2.031 -2.954 1.00 1.48 C ATOM 903 O GLU A 61 14.906 -2.986 -2.624 1.00 2.04 O ATOM 904 CB GLU A 61 16.255 -0.643 -3.181 1.00 1.34 C ATOM 905 CG GLU A 61 16.867 0.743 -3.269 1.00 1.55 C ATOM 906 CD GLU A 61 18.372 0.706 -3.418 1.00 2.21 C ATOM 907 OE1 GLU A 61 18.854 0.361 -4.519 1.00 2.51 O ATOM 908 OE2 GLU A 61 19.082 1.038 -2.447 1.00 2.69 O ATOM 909 OXT GLU A 61 12.983 -2.176 -3.313 1.00 1.82 O ATOM 0 H GLU A 61 13.832 0.869 -1.802 1.00 0.97 H new ATOM 0 HA GLU A 61 14.271 -0.072 -3.756 1.00 1.21 H new ATOM 0 HB2 GLU A 61 16.735 -1.195 -2.373 1.00 1.34 H new ATOM 0 HB3 GLU A 61 16.462 -1.185 -4.104 1.00 1.34 H new ATOM 0 HG2 GLU A 61 16.435 1.274 -4.117 1.00 1.55 H new ATOM 0 HG3 GLU A 61 16.608 1.308 -2.374 1.00 1.55 H new TER 916 GLU A 61