USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 470 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 7 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.23! C(o=-1.2!,f=-12!) USER MOD Single : A 18 THR OG1 : rot 58:sc= 0.927 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.6!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0602 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.629 K(o=-0.63,f=-2.3!) USER MOD Single : A 58 THR OG1 : rot -156:sc= -0.968 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.96!) USER MOD Single : A 61 SER OG : rot -152:sc= -0.173 USER MOD Single : A 67 ASN : amide:sc= -0.448 K(o=-0.45,f=-3.7!) USER MOD Single : A 70 TYR OH : rot -147:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.727 -8.545 5.135 1.00 0.00 N ATOM 2 CA GLY A 1 -18.559 -8.766 3.670 1.00 0.00 C ATOM 3 C GLY A 1 -17.319 -8.015 3.180 1.00 0.00 C ATOM 4 O GLY A 1 -17.135 -6.849 3.465 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.570 -9.055 5.469 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.887 -8.897 5.638 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.841 -7.528 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.458 -9.831 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.443 -8.418 3.135 1.00 0.00 H new ATOM 8 N LYS A 2 -16.468 -8.674 2.442 1.00 0.00 N ATOM 9 CA LYS A 2 -15.242 -7.997 1.933 1.00 0.00 C ATOM 10 C LYS A 2 -15.593 -7.174 0.692 1.00 0.00 C ATOM 11 O LYS A 2 -15.000 -7.331 -0.358 1.00 0.00 O ATOM 12 CB LYS A 2 -14.195 -9.051 1.567 1.00 0.00 C ATOM 13 CG LYS A 2 -12.957 -8.874 2.451 1.00 0.00 C ATOM 14 CD LYS A 2 -13.179 -9.580 3.791 1.00 0.00 C ATOM 15 CE LYS A 2 -12.661 -8.696 4.926 1.00 0.00 C ATOM 16 NZ LYS A 2 -13.811 -8.046 5.615 1.00 0.00 N ATOM 0 H LYS A 2 -16.569 -9.652 2.170 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.842 -7.339 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.609 -10.051 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.921 -8.956 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.080 -9.286 1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.763 -7.814 2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.239 -9.788 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.662 -10.540 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.090 -9.295 5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.985 -7.938 4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.458 -7.445 6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.338 -7.462 4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.440 -8.777 6.005 1.00 0.00 H new ATOM 30 N GLU A 3 -16.556 -6.300 0.801 1.00 0.00 N ATOM 31 CA GLU A 3 -16.946 -5.470 -0.373 1.00 0.00 C ATOM 32 C GLU A 3 -16.577 -4.007 -0.117 1.00 0.00 C ATOM 33 O GLU A 3 -17.112 -3.107 -0.733 1.00 0.00 O ATOM 34 CB GLU A 3 -18.456 -5.582 -0.597 1.00 0.00 C ATOM 35 CG GLU A 3 -18.732 -6.577 -1.724 1.00 0.00 C ATOM 36 CD GLU A 3 -19.205 -5.823 -2.969 1.00 0.00 C ATOM 37 OE1 GLU A 3 -19.907 -4.839 -2.811 1.00 0.00 O ATOM 38 OE2 GLU A 3 -18.856 -6.243 -4.060 1.00 0.00 O ATOM 0 H GLU A 3 -17.089 -6.125 1.653 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.417 -5.826 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.947 -5.909 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.870 -4.606 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.830 -7.145 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.490 -7.295 -1.411 1.00 0.00 H new ATOM 45 N CYS A 4 -15.666 -3.760 0.785 1.00 0.00 N ATOM 46 CA CYS A 4 -15.271 -2.351 1.068 1.00 0.00 C ATOM 47 C CYS A 4 -13.834 -2.118 0.597 1.00 0.00 C ATOM 48 O CYS A 4 -12.903 -2.724 1.091 1.00 0.00 O ATOM 49 CB CYS A 4 -15.360 -2.084 2.573 1.00 0.00 C ATOM 50 SG CYS A 4 -16.917 -1.243 2.953 1.00 0.00 S ATOM 0 H CYS A 4 -15.181 -4.469 1.335 1.00 0.00 H new ATOM 0 HA CYS A 4 -15.943 -1.676 0.538 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -15.299 -3.023 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -14.517 -1.472 2.894 1.00 0.00 H new ATOM 55 N ASP A 5 -13.642 -1.239 -0.351 1.00 0.00 N ATOM 56 CA ASP A 5 -12.263 -0.965 -0.844 1.00 0.00 C ATOM 57 C ASP A 5 -11.696 0.250 -0.109 1.00 0.00 C ATOM 58 O ASP A 5 -10.503 0.480 -0.094 1.00 0.00 O ATOM 59 CB ASP A 5 -12.298 -0.678 -2.348 1.00 0.00 C ATOM 60 CG ASP A 5 -10.921 -0.962 -2.952 1.00 0.00 C ATOM 61 OD1 ASP A 5 -9.976 -0.296 -2.562 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.835 -1.840 -3.795 1.00 0.00 O ATOM 0 H ASP A 5 -14.380 -0.700 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.633 -1.835 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.054 -1.298 -2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.578 0.361 -2.525 1.00 0.00 H new ATOM 67 N CYS A 6 -12.544 1.032 0.503 1.00 0.00 N ATOM 68 CA CYS A 6 -12.058 2.234 1.238 1.00 0.00 C ATOM 69 C CYS A 6 -12.682 2.263 2.635 1.00 0.00 C ATOM 70 O CYS A 6 -13.605 1.530 2.927 1.00 0.00 O ATOM 71 CB CYS A 6 -12.461 3.497 0.474 1.00 0.00 C ATOM 72 SG CYS A 6 -14.266 3.612 0.407 1.00 0.00 S ATOM 0 H CYS A 6 -13.554 0.890 0.525 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.972 2.193 1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -12.048 4.379 0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.050 3.471 -0.535 1.00 0.00 H new ATOM 77 N SER A 7 -12.186 3.104 3.501 1.00 0.00 N ATOM 78 CA SER A 7 -12.755 3.176 4.877 1.00 0.00 C ATOM 79 C SER A 7 -13.543 4.479 5.040 1.00 0.00 C ATOM 80 O SER A 7 -14.044 4.781 6.105 1.00 0.00 O ATOM 81 CB SER A 7 -11.620 3.136 5.901 1.00 0.00 C ATOM 82 OG SER A 7 -10.756 4.245 5.689 1.00 0.00 O ATOM 0 H SER A 7 -11.413 3.743 3.316 1.00 0.00 H new ATOM 0 HA SER A 7 -13.421 2.328 5.038 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.026 3.165 6.912 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.063 2.204 5.808 1.00 0.00 H new ATOM 0 HG SER A 7 -10.028 4.223 6.345 1.00 0.00 H new ATOM 88 N SER A 8 -13.657 5.254 3.995 1.00 0.00 N ATOM 89 CA SER A 8 -14.414 6.533 4.100 1.00 0.00 C ATOM 90 C SER A 8 -15.530 6.553 3.046 1.00 0.00 C ATOM 91 O SER A 8 -15.296 6.231 1.898 1.00 0.00 O ATOM 92 CB SER A 8 -13.464 7.706 3.857 1.00 0.00 C ATOM 93 OG SER A 8 -12.152 7.207 3.628 1.00 0.00 O ATOM 0 H SER A 8 -13.260 5.057 3.076 1.00 0.00 H new ATOM 0 HA SER A 8 -14.851 6.618 5.095 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.799 8.289 2.999 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.466 8.375 4.717 1.00 0.00 H new ATOM 0 HG SER A 8 -11.540 7.956 3.470 1.00 0.00 H new ATOM 99 N PRO A 9 -16.715 6.928 3.466 1.00 0.00 N ATOM 100 CA PRO A 9 -17.887 6.996 2.575 1.00 0.00 C ATOM 101 C PRO A 9 -17.851 8.279 1.739 1.00 0.00 C ATOM 102 O PRO A 9 -18.525 8.395 0.734 1.00 0.00 O ATOM 103 CB PRO A 9 -19.073 7.013 3.544 1.00 0.00 C ATOM 104 CG PRO A 9 -18.524 7.522 4.898 1.00 0.00 C ATOM 105 CD PRO A 9 -16.998 7.316 4.863 1.00 0.00 C ATOM 0 HA PRO A 9 -17.933 6.171 1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.865 7.665 3.176 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.503 6.017 3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.769 8.574 5.044 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.970 6.973 5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.467 8.227 5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.685 6.541 5.563 1.00 0.00 H new ATOM 113 N GLU A 10 -17.074 9.244 2.147 1.00 0.00 N ATOM 114 CA GLU A 10 -16.999 10.516 1.375 1.00 0.00 C ATOM 115 C GLU A 10 -15.965 10.374 0.256 1.00 0.00 C ATOM 116 O GLU A 10 -15.859 11.213 -0.615 1.00 0.00 O ATOM 117 CB GLU A 10 -16.590 11.656 2.309 1.00 0.00 C ATOM 118 CG GLU A 10 -17.769 12.020 3.215 1.00 0.00 C ATOM 119 CD GLU A 10 -17.829 13.538 3.389 1.00 0.00 C ATOM 120 OE1 GLU A 10 -17.046 14.057 4.168 1.00 0.00 O ATOM 121 OE2 GLU A 10 -18.658 14.157 2.741 1.00 0.00 O ATOM 0 H GLU A 10 -16.488 9.207 2.981 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.974 10.736 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.733 11.357 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.283 12.525 1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -18.700 11.656 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.659 11.536 4.185 1.00 0.00 H new ATOM 128 N ASN A 11 -15.203 9.315 0.272 1.00 0.00 N ATOM 129 CA ASN A 11 -14.178 9.117 -0.791 1.00 0.00 C ATOM 130 C ASN A 11 -14.881 8.799 -2.119 1.00 0.00 C ATOM 131 O ASN A 11 -15.596 7.822 -2.214 1.00 0.00 O ATOM 132 CB ASN A 11 -13.272 7.946 -0.404 1.00 0.00 C ATOM 133 CG ASN A 11 -11.971 8.015 -1.205 1.00 0.00 C ATOM 134 OD1 ASN A 11 -11.876 8.743 -2.172 1.00 0.00 O ATOM 135 ND2 ASN A 11 -10.954 7.280 -0.840 1.00 0.00 N ATOM 0 H ASN A 11 -15.246 8.578 0.976 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.581 10.022 -0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.055 7.979 0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.780 7.001 -0.597 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.082 7.318 -1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.032 6.668 -0.028 1.00 0.00 H new ATOM 142 N PRO A 12 -14.661 9.634 -3.106 1.00 0.00 N ATOM 143 CA PRO A 12 -15.270 9.458 -4.437 1.00 0.00 C ATOM 144 C PRO A 12 -14.537 8.367 -5.224 1.00 0.00 C ATOM 145 O PRO A 12 -15.026 7.873 -6.220 1.00 0.00 O ATOM 146 CB PRO A 12 -15.091 10.827 -5.099 1.00 0.00 C ATOM 147 CG PRO A 12 -13.921 11.519 -4.360 1.00 0.00 C ATOM 148 CD PRO A 12 -13.791 10.823 -2.993 1.00 0.00 C ATOM 0 HA PRO A 12 -16.313 9.146 -4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.870 10.719 -6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.003 11.418 -5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.996 11.430 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.117 12.584 -4.235 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.758 10.542 -2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.113 11.476 -2.182 1.00 0.00 H new ATOM 156 N CYS A 13 -13.370 7.985 -4.782 1.00 0.00 N ATOM 157 CA CYS A 13 -12.614 6.926 -5.504 1.00 0.00 C ATOM 158 C CYS A 13 -13.274 5.571 -5.244 1.00 0.00 C ATOM 159 O CYS A 13 -13.053 4.613 -5.959 1.00 0.00 O ATOM 160 CB CYS A 13 -11.169 6.900 -5.003 1.00 0.00 C ATOM 161 SG CYS A 13 -10.086 7.605 -6.271 1.00 0.00 S ATOM 0 H CYS A 13 -12.909 8.361 -3.953 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.620 7.134 -6.574 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -11.082 7.468 -4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.868 5.877 -4.778 1.00 0.00 H new ATOM 166 N CYS A 14 -14.087 5.485 -4.228 1.00 0.00 N ATOM 167 CA CYS A 14 -14.765 4.196 -3.923 1.00 0.00 C ATOM 168 C CYS A 14 -16.272 4.429 -3.790 1.00 0.00 C ATOM 169 O CYS A 14 -16.728 5.167 -2.940 1.00 0.00 O ATOM 170 CB CYS A 14 -14.212 3.621 -2.617 1.00 0.00 C ATOM 171 SG CYS A 14 -14.629 4.721 -1.241 1.00 0.00 S ATOM 0 H CYS A 14 -14.311 6.253 -3.595 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.581 3.489 -4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.627 2.629 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -13.130 3.506 -2.688 1.00 0.00 H new ATOM 176 N ASP A 15 -17.043 3.800 -4.629 1.00 0.00 N ATOM 177 CA ASP A 15 -18.518 3.970 -4.565 1.00 0.00 C ATOM 178 C ASP A 15 -18.999 3.754 -3.131 1.00 0.00 C ATOM 179 O ASP A 15 -18.707 2.747 -2.514 1.00 0.00 O ATOM 180 CB ASP A 15 -19.179 2.934 -5.470 1.00 0.00 C ATOM 181 CG ASP A 15 -20.462 3.514 -6.068 1.00 0.00 C ATOM 182 OD1 ASP A 15 -20.652 4.715 -5.963 1.00 0.00 O ATOM 183 OD2 ASP A 15 -21.233 2.748 -6.622 1.00 0.00 O ATOM 0 H ASP A 15 -16.712 3.171 -5.361 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.781 4.976 -4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.494 2.643 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.407 2.033 -4.901 1.00 0.00 H new ATOM 188 N ALA A 16 -19.742 4.687 -2.600 1.00 0.00 N ATOM 189 CA ALA A 16 -20.253 4.532 -1.211 1.00 0.00 C ATOM 190 C ALA A 16 -21.271 3.392 -1.179 1.00 0.00 C ATOM 191 O ALA A 16 -21.379 2.668 -0.209 1.00 0.00 O ATOM 192 CB ALA A 16 -20.923 5.834 -0.766 1.00 0.00 C ATOM 0 H ALA A 16 -20.017 5.550 -3.070 1.00 0.00 H new ATOM 0 HA ALA A 16 -19.428 4.305 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.298 5.721 0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.197 6.646 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -21.753 6.063 -1.435 1.00 0.00 H new ATOM 198 N ALA A 17 -22.016 3.222 -2.239 1.00 0.00 N ATOM 199 CA ALA A 17 -23.019 2.123 -2.275 1.00 0.00 C ATOM 200 C ALA A 17 -22.304 0.787 -2.080 1.00 0.00 C ATOM 201 O ALA A 17 -22.468 0.124 -1.075 1.00 0.00 O ATOM 202 CB ALA A 17 -23.735 2.127 -3.627 1.00 0.00 C ATOM 0 H ALA A 17 -21.972 3.797 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 17 -23.751 2.268 -1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -24.469 1.322 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -24.240 3.083 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -23.007 1.979 -4.425 1.00 0.00 H new ATOM 208 N THR A 18 -21.502 0.390 -3.030 1.00 0.00 N ATOM 209 CA THR A 18 -20.769 -0.899 -2.892 1.00 0.00 C ATOM 210 C THR A 18 -19.549 -0.694 -1.990 1.00 0.00 C ATOM 211 O THR A 18 -18.864 -1.632 -1.636 1.00 0.00 O ATOM 212 CB THR A 18 -20.316 -1.387 -4.272 1.00 0.00 C ATOM 213 OG1 THR A 18 -19.385 -2.448 -4.114 1.00 0.00 O ATOM 214 CG2 THR A 18 -19.657 -0.240 -5.036 1.00 0.00 C ATOM 0 H THR A 18 -21.323 0.902 -3.894 1.00 0.00 H new ATOM 0 HA THR A 18 -21.427 -1.646 -2.449 1.00 0.00 H new ATOM 0 HB THR A 18 -21.182 -1.740 -4.832 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.801 -3.175 -3.605 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.337 -0.592 -6.016 1.00 0.00 H new ATOM 0 HG22 THR A 18 -20.372 0.574 -5.159 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.791 0.118 -4.479 1.00 0.00 H new ATOM 222 N CYS A 19 -19.277 0.527 -1.605 1.00 0.00 N ATOM 223 CA CYS A 19 -18.108 0.784 -0.716 1.00 0.00 C ATOM 224 C CYS A 19 -16.830 0.282 -1.392 1.00 0.00 C ATOM 225 O CYS A 19 -15.874 -0.084 -0.742 1.00 0.00 O ATOM 226 CB CYS A 19 -18.318 0.036 0.605 1.00 0.00 C ATOM 227 SG CYS A 19 -16.937 0.363 1.727 1.00 0.00 S ATOM 0 H CYS A 19 -19.813 1.354 -1.868 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.015 1.853 -0.526 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -19.254 0.351 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -18.399 -1.035 0.417 1.00 0.00 H new ATOM 232 N LYS A 20 -16.800 0.259 -2.693 1.00 0.00 N ATOM 233 CA LYS A 20 -15.577 -0.231 -3.390 1.00 0.00 C ATOM 234 C LYS A 20 -15.168 0.754 -4.487 1.00 0.00 C ATOM 235 O LYS A 20 -15.837 1.732 -4.740 1.00 0.00 O ATOM 236 CB LYS A 20 -15.861 -1.600 -4.008 1.00 0.00 C ATOM 237 CG LYS A 20 -15.764 -2.679 -2.930 1.00 0.00 C ATOM 238 CD LYS A 20 -14.658 -3.671 -3.293 1.00 0.00 C ATOM 239 CE LYS A 20 -13.792 -3.941 -2.063 1.00 0.00 C ATOM 240 NZ LYS A 20 -12.775 -4.980 -2.387 1.00 0.00 N ATOM 0 H LYS A 20 -17.562 0.556 -3.302 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.763 -0.316 -2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.854 -1.609 -4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.148 -1.805 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.554 -2.223 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.717 -3.200 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.094 -4.602 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.046 -3.270 -4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.299 -3.023 -1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.415 -4.274 -1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.186 -5.163 -1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.254 -5.858 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.173 -4.646 -3.167 1.00 0.00 H new ATOM 254 N LEU A 21 -14.063 0.503 -5.134 1.00 0.00 N ATOM 255 CA LEU A 21 -13.595 1.424 -6.209 1.00 0.00 C ATOM 256 C LEU A 21 -14.606 1.454 -7.358 1.00 0.00 C ATOM 257 O LEU A 21 -14.889 0.448 -7.977 1.00 0.00 O ATOM 258 CB LEU A 21 -12.245 0.935 -6.736 1.00 0.00 C ATOM 259 CG LEU A 21 -11.122 1.529 -5.888 1.00 0.00 C ATOM 260 CD1 LEU A 21 -10.112 0.434 -5.540 1.00 0.00 C ATOM 261 CD2 LEU A 21 -10.422 2.633 -6.680 1.00 0.00 C ATOM 0 H LEU A 21 -13.462 -0.303 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.495 2.429 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.203 -0.154 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.122 1.228 -7.779 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.538 1.944 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.310 0.857 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.611 -0.356 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.694 0.020 -6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.620 3.060 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.005 2.215 -7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.141 3.413 -6.931 1.00 0.00 H new ATOM 273 N ARG A 22 -15.152 2.604 -7.649 1.00 0.00 N ATOM 274 CA ARG A 22 -16.143 2.700 -8.759 1.00 0.00 C ATOM 275 C ARG A 22 -15.428 2.936 -10.104 1.00 0.00 C ATOM 276 O ARG A 22 -15.761 2.302 -11.084 1.00 0.00 O ATOM 277 CB ARG A 22 -17.126 3.846 -8.476 1.00 0.00 C ATOM 278 CG ARG A 22 -17.840 4.256 -9.768 1.00 0.00 C ATOM 279 CD ARG A 22 -17.056 5.378 -10.449 1.00 0.00 C ATOM 280 NE ARG A 22 -18.006 6.371 -11.024 1.00 0.00 N ATOM 281 CZ ARG A 22 -17.721 6.976 -12.144 1.00 0.00 C ATOM 282 NH1 ARG A 22 -16.477 7.099 -12.520 1.00 0.00 N ATOM 283 NH2 ARG A 22 -18.677 7.456 -12.889 1.00 0.00 N ATOM 0 H ARG A 22 -14.955 3.481 -7.166 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.693 1.761 -8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.857 3.533 -7.731 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.592 4.700 -8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.925 3.399 -10.437 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.854 4.589 -9.546 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.397 5.864 -9.730 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.422 4.968 -11.235 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.880 6.578 -10.541 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.729 6.722 -11.938 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.253 7.572 -13.396 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.649 7.359 -12.596 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.453 7.929 -13.765 1.00 0.00 H new ATOM 297 N PRO A 23 -14.478 3.847 -10.125 1.00 0.00 N ATOM 298 CA PRO A 23 -13.733 4.173 -11.354 1.00 0.00 C ATOM 299 C PRO A 23 -12.647 3.128 -11.624 1.00 0.00 C ATOM 300 O PRO A 23 -12.621 2.072 -11.022 1.00 0.00 O ATOM 301 CB PRO A 23 -13.112 5.537 -11.049 1.00 0.00 C ATOM 302 CG PRO A 23 -13.052 5.654 -9.508 1.00 0.00 C ATOM 303 CD PRO A 23 -14.056 4.631 -8.945 1.00 0.00 C ATOM 0 HA PRO A 23 -14.365 4.185 -12.242 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.116 5.616 -11.484 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.711 6.341 -11.477 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.045 5.449 -9.144 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.308 6.664 -9.187 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.595 3.995 -8.189 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.904 5.125 -8.471 1.00 0.00 H new ATOM 311 N GLY A 24 -11.749 3.417 -12.527 1.00 0.00 N ATOM 312 CA GLY A 24 -10.663 2.445 -12.838 1.00 0.00 C ATOM 313 C GLY A 24 -9.484 2.682 -11.891 1.00 0.00 C ATOM 314 O GLY A 24 -8.337 2.663 -12.292 1.00 0.00 O ATOM 0 H GLY A 24 -11.721 4.285 -13.063 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.031 1.425 -12.730 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.342 2.560 -13.873 1.00 0.00 H new ATOM 318 N ALA A 25 -9.758 2.906 -10.634 1.00 0.00 N ATOM 319 CA ALA A 25 -8.657 3.147 -9.660 1.00 0.00 C ATOM 320 C ALA A 25 -8.303 1.837 -8.952 1.00 0.00 C ATOM 321 O ALA A 25 -9.168 1.071 -8.579 1.00 0.00 O ATOM 322 CB ALA A 25 -9.113 4.179 -8.626 1.00 0.00 C ATOM 0 H ALA A 25 -10.698 2.932 -10.240 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.779 3.521 -10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.309 4.358 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.365 5.112 -9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.990 3.803 -8.099 1.00 0.00 H new ATOM 328 N GLN A 26 -7.038 1.574 -8.760 1.00 0.00 N ATOM 329 CA GLN A 26 -6.636 0.314 -8.074 1.00 0.00 C ATOM 330 C GLN A 26 -6.737 0.504 -6.558 1.00 0.00 C ATOM 331 O GLN A 26 -6.544 -0.421 -5.793 1.00 0.00 O ATOM 332 CB GLN A 26 -5.194 -0.032 -8.447 1.00 0.00 C ATOM 333 CG GLN A 26 -5.115 -1.500 -8.872 1.00 0.00 C ATOM 334 CD GLN A 26 -4.901 -1.585 -10.385 1.00 0.00 C ATOM 335 OE1 GLN A 26 -5.238 -0.670 -11.110 1.00 0.00 O ATOM 336 NE2 GLN A 26 -4.353 -2.653 -10.895 1.00 0.00 N ATOM 0 H GLN A 26 -6.267 2.177 -9.048 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.297 -0.495 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.853 0.611 -9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.534 0.148 -7.598 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.297 -1.997 -8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.032 -2.019 -8.594 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.070 -3.421 -10.287 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.207 -2.720 -11.902 1.00 0.00 H new ATOM 345 N CYS A 27 -7.036 1.696 -6.116 1.00 0.00 N ATOM 346 CA CYS A 27 -7.147 1.944 -4.650 1.00 0.00 C ATOM 347 C CYS A 27 -7.733 3.338 -4.420 1.00 0.00 C ATOM 348 O CYS A 27 -7.330 4.305 -5.037 1.00 0.00 O ATOM 349 CB CYS A 27 -5.744 1.824 -4.012 1.00 0.00 C ATOM 350 SG CYS A 27 -5.541 2.969 -2.613 1.00 0.00 S ATOM 0 H CYS A 27 -7.208 2.509 -6.707 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.806 1.209 -4.188 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.586 0.801 -3.671 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.983 2.030 -4.765 1.00 0.00 H new ATOM 355 N GLY A 28 -8.668 3.449 -3.521 1.00 0.00 N ATOM 356 CA GLY A 28 -9.265 4.779 -3.228 1.00 0.00 C ATOM 357 C GLY A 28 -8.473 5.413 -2.097 1.00 0.00 C ATOM 358 O GLY A 28 -8.357 6.618 -1.995 1.00 0.00 O ATOM 0 H GLY A 28 -9.045 2.674 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.236 5.413 -4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.312 4.672 -2.946 1.00 0.00 H new ATOM 362 N GLU A 29 -7.921 4.598 -1.249 1.00 0.00 N ATOM 363 CA GLU A 29 -7.124 5.125 -0.119 1.00 0.00 C ATOM 364 C GLU A 29 -6.000 4.135 0.204 1.00 0.00 C ATOM 365 O GLU A 29 -6.178 2.937 0.117 1.00 0.00 O ATOM 366 CB GLU A 29 -8.040 5.307 1.088 1.00 0.00 C ATOM 367 CG GLU A 29 -8.347 3.944 1.714 1.00 0.00 C ATOM 368 CD GLU A 29 -7.502 3.754 2.976 1.00 0.00 C ATOM 369 OE1 GLU A 29 -6.461 4.382 3.069 1.00 0.00 O ATOM 370 OE2 GLU A 29 -7.912 2.983 3.828 1.00 0.00 O ATOM 0 H GLU A 29 -7.990 3.581 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.682 6.087 -0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.564 5.956 1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.966 5.795 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.407 3.877 1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.135 3.149 0.999 1.00 0.00 H new ATOM 377 N GLY A 30 -4.847 4.621 0.570 1.00 0.00 N ATOM 378 CA GLY A 30 -3.721 3.696 0.887 1.00 0.00 C ATOM 379 C GLY A 30 -2.399 4.466 0.833 1.00 0.00 C ATOM 380 O GLY A 30 -2.324 5.553 0.297 1.00 0.00 O ATOM 0 H GLY A 30 -4.635 5.614 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.861 3.261 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.703 2.870 0.176 1.00 0.00 H new ATOM 384 N LEU A 31 -1.358 3.912 1.391 1.00 0.00 N ATOM 385 CA LEU A 31 -0.043 4.613 1.376 1.00 0.00 C ATOM 386 C LEU A 31 0.538 4.585 -0.038 1.00 0.00 C ATOM 387 O LEU A 31 1.015 5.581 -0.545 1.00 0.00 O ATOM 388 CB LEU A 31 0.920 3.912 2.335 1.00 0.00 C ATOM 389 CG LEU A 31 1.174 4.805 3.550 1.00 0.00 C ATOM 390 CD1 LEU A 31 1.611 6.194 3.079 1.00 0.00 C ATOM 391 CD2 LEU A 31 -0.112 4.928 4.371 1.00 0.00 C ATOM 0 H LEU A 31 -1.361 3.004 1.857 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.182 5.647 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.501 2.957 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.860 3.694 1.828 1.00 0.00 H new ATOM 0 HG LEU A 31 1.958 4.365 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.792 6.831 3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.526 6.108 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.826 6.633 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.069 5.565 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.896 5.368 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.426 3.939 4.706 1.00 0.00 H new ATOM 403 N CYS A 32 0.504 3.450 -0.680 1.00 0.00 N ATOM 404 CA CYS A 32 1.057 3.357 -2.058 1.00 0.00 C ATOM 405 C CYS A 32 -0.064 3.577 -3.072 1.00 0.00 C ATOM 406 O CYS A 32 -0.259 2.787 -3.974 1.00 0.00 O ATOM 407 CB CYS A 32 1.661 1.972 -2.271 1.00 0.00 C ATOM 408 SG CYS A 32 2.428 1.900 -3.908 1.00 0.00 S ATOM 0 H CYS A 32 0.116 2.583 -0.308 1.00 0.00 H new ATOM 0 HA CYS A 32 1.827 4.117 -2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.402 1.763 -1.500 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.888 1.208 -2.185 1.00 0.00 H new ATOM 413 N CYS A 33 -0.804 4.639 -2.931 1.00 0.00 N ATOM 414 CA CYS A 33 -1.913 4.897 -3.889 1.00 0.00 C ATOM 415 C CYS A 33 -1.713 6.259 -4.557 1.00 0.00 C ATOM 416 O CYS A 33 -2.166 7.274 -4.066 1.00 0.00 O ATOM 417 CB CYS A 33 -3.244 4.884 -3.139 1.00 0.00 C ATOM 418 SG CYS A 33 -3.542 3.229 -2.466 1.00 0.00 S ATOM 0 H CYS A 33 -0.690 5.338 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.918 4.121 -4.654 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.227 5.618 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.055 5.167 -3.811 1.00 0.00 H new ATOM 423 N GLU A 34 -1.049 6.288 -5.680 1.00 0.00 N ATOM 424 CA GLU A 34 -0.834 7.579 -6.388 1.00 0.00 C ATOM 425 C GLU A 34 -1.986 7.790 -7.366 1.00 0.00 C ATOM 426 O GLU A 34 -2.150 7.049 -8.314 1.00 0.00 O ATOM 427 CB GLU A 34 0.491 7.535 -7.155 1.00 0.00 C ATOM 428 CG GLU A 34 0.859 8.945 -7.620 1.00 0.00 C ATOM 429 CD GLU A 34 2.380 9.068 -7.725 1.00 0.00 C ATOM 430 OE1 GLU A 34 3.051 8.700 -6.776 1.00 0.00 O ATOM 431 OE2 GLU A 34 2.847 9.529 -8.754 1.00 0.00 O ATOM 0 H GLU A 34 -0.646 5.471 -6.138 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.797 8.397 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.279 7.134 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.405 6.869 -8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.399 9.152 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.472 9.683 -6.918 1.00 0.00 H new ATOM 438 N GLN A 35 -2.798 8.780 -7.134 1.00 0.00 N ATOM 439 CA GLN A 35 -3.950 9.016 -8.042 1.00 0.00 C ATOM 440 C GLN A 35 -4.918 7.837 -7.920 1.00 0.00 C ATOM 441 O GLN A 35 -5.549 7.435 -8.877 1.00 0.00 O ATOM 442 CB GLN A 35 -3.460 9.129 -9.488 1.00 0.00 C ATOM 443 CG GLN A 35 -2.339 10.168 -9.570 1.00 0.00 C ATOM 444 CD GLN A 35 -2.199 10.651 -11.015 1.00 0.00 C ATOM 445 OE1 GLN A 35 -2.447 9.907 -11.943 1.00 0.00 O ATOM 446 NE2 GLN A 35 -1.810 11.874 -11.247 1.00 0.00 N ATOM 0 H GLN A 35 -2.714 9.435 -6.356 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.452 9.944 -7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.099 8.162 -9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.284 9.416 -10.141 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.559 11.010 -8.913 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.400 9.734 -9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.602 12.499 -10.469 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.714 12.205 -12.207 1.00 0.00 H new ATOM 455 N CYS A 36 -5.027 7.279 -6.744 1.00 0.00 N ATOM 456 CA CYS A 36 -5.941 6.120 -6.541 1.00 0.00 C ATOM 457 C CYS A 36 -5.451 4.933 -7.374 1.00 0.00 C ATOM 458 O CYS A 36 -6.231 4.149 -7.878 1.00 0.00 O ATOM 459 CB CYS A 36 -7.361 6.499 -6.968 1.00 0.00 C ATOM 460 SG CYS A 36 -8.218 7.275 -5.576 1.00 0.00 S ATOM 0 H CYS A 36 -4.519 7.578 -5.912 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.947 5.845 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.328 7.183 -7.816 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.904 5.612 -7.295 1.00 0.00 H new ATOM 465 N LYS A 37 -4.160 4.792 -7.514 1.00 0.00 N ATOM 466 CA LYS A 37 -3.610 3.655 -8.305 1.00 0.00 C ATOM 467 C LYS A 37 -2.420 3.056 -7.552 1.00 0.00 C ATOM 468 O LYS A 37 -1.863 3.672 -6.669 1.00 0.00 O ATOM 469 CB LYS A 37 -3.148 4.159 -9.675 1.00 0.00 C ATOM 470 CG LYS A 37 -3.795 3.316 -10.777 1.00 0.00 C ATOM 471 CD LYS A 37 -2.723 2.467 -11.468 1.00 0.00 C ATOM 472 CE LYS A 37 -3.185 2.112 -12.883 1.00 0.00 C ATOM 473 NZ LYS A 37 -2.241 2.699 -13.876 1.00 0.00 N ATOM 0 H LYS A 37 -3.461 5.418 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.380 2.896 -8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.419 5.207 -9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.062 4.100 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.565 2.673 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.286 3.963 -11.504 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.781 3.014 -11.508 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.539 1.558 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.228 1.029 -13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.192 2.492 -13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.555 2.458 -14.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.221 3.733 -13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.287 2.316 -13.717 1.00 0.00 H new ATOM 487 N PHE A 38 -2.023 1.859 -7.891 1.00 0.00 N ATOM 488 CA PHE A 38 -0.871 1.234 -7.180 1.00 0.00 C ATOM 489 C PHE A 38 0.436 1.824 -7.700 1.00 0.00 C ATOM 490 O PHE A 38 0.868 1.526 -8.797 1.00 0.00 O ATOM 491 CB PHE A 38 -0.854 -0.275 -7.437 1.00 0.00 C ATOM 492 CG PHE A 38 -1.976 -0.961 -6.687 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.762 -0.251 -5.768 1.00 0.00 C ATOM 494 CD2 PHE A 38 -2.224 -2.321 -6.910 1.00 0.00 C ATOM 495 CE1 PHE A 38 -3.791 -0.902 -5.078 1.00 0.00 C ATOM 496 CE2 PHE A 38 -3.253 -2.970 -6.218 1.00 0.00 C ATOM 497 CZ PHE A 38 -4.037 -2.262 -5.302 1.00 0.00 C ATOM 0 H PHE A 38 -2.444 1.290 -8.625 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.974 1.429 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.954 -0.468 -8.505 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.105 -0.691 -7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.573 0.798 -5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.620 -2.870 -7.617 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.397 -0.354 -4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.442 -4.019 -6.392 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.831 -2.763 -4.768 1.00 0.00 H new ATOM 507 N SER A 39 1.086 2.643 -6.921 1.00 0.00 N ATOM 508 CA SER A 39 2.374 3.220 -7.384 1.00 0.00 C ATOM 509 C SER A 39 3.346 2.070 -7.651 1.00 0.00 C ATOM 510 O SER A 39 2.968 0.916 -7.631 1.00 0.00 O ATOM 511 CB SER A 39 2.947 4.140 -6.306 1.00 0.00 C ATOM 512 OG SER A 39 1.879 4.704 -5.557 1.00 0.00 O ATOM 0 H SER A 39 0.783 2.935 -5.992 1.00 0.00 H new ATOM 0 HA SER A 39 2.219 3.801 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.612 3.580 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.543 4.930 -6.764 1.00 0.00 H new ATOM 0 HG SER A 39 2.242 5.294 -4.863 1.00 0.00 H new ATOM 518 N ARG A 40 4.589 2.360 -7.905 1.00 0.00 N ATOM 519 CA ARG A 40 5.557 1.261 -8.173 1.00 0.00 C ATOM 520 C ARG A 40 6.149 0.763 -6.852 1.00 0.00 C ATOM 521 O ARG A 40 6.117 1.446 -5.850 1.00 0.00 O ATOM 522 CB ARG A 40 6.682 1.777 -9.074 1.00 0.00 C ATOM 523 CG ARG A 40 6.171 1.901 -10.511 1.00 0.00 C ATOM 524 CD ARG A 40 7.054 2.881 -11.285 1.00 0.00 C ATOM 525 NE ARG A 40 7.431 2.283 -12.597 1.00 0.00 N ATOM 526 CZ ARG A 40 7.961 3.031 -13.526 1.00 0.00 C ATOM 527 NH1 ARG A 40 7.501 4.234 -13.735 1.00 0.00 N ATOM 528 NH2 ARG A 40 8.950 2.577 -14.245 1.00 0.00 N ATOM 0 H ARG A 40 4.976 3.303 -7.939 1.00 0.00 H new ATOM 0 HA ARG A 40 5.041 0.440 -8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.033 2.745 -8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.533 1.096 -9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.180 0.925 -10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.138 2.248 -10.512 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.523 3.820 -11.441 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.950 3.113 -10.709 1.00 0.00 H new ATOM 0 HE ARG A 40 7.275 1.290 -12.769 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.728 4.589 -13.173 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.915 4.819 -14.461 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.310 1.637 -14.081 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.364 3.162 -14.971 1.00 0.00 H new ATOM 542 N ALA A 41 6.692 -0.426 -6.847 1.00 0.00 N ATOM 543 CA ALA A 41 7.288 -0.972 -5.594 1.00 0.00 C ATOM 544 C ALA A 41 8.561 -0.201 -5.264 1.00 0.00 C ATOM 545 O ALA A 41 9.067 0.554 -6.069 1.00 0.00 O ATOM 546 CB ALA A 41 7.631 -2.450 -5.787 1.00 0.00 C ATOM 0 H ALA A 41 6.748 -1.042 -7.658 1.00 0.00 H new ATOM 0 HA ALA A 41 6.571 -0.869 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.066 -2.845 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.724 -3.006 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.347 -2.554 -6.602 1.00 0.00 H new ATOM 552 N GLY A 42 9.077 -0.373 -4.080 1.00 0.00 N ATOM 553 CA GLY A 42 10.308 0.367 -3.706 1.00 0.00 C ATOM 554 C GLY A 42 9.944 1.840 -3.569 1.00 0.00 C ATOM 555 O GLY A 42 10.780 2.713 -3.687 1.00 0.00 O ATOM 0 H GLY A 42 8.701 -0.990 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.713 -0.015 -2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.079 0.233 -4.465 1.00 0.00 H new ATOM 559 N LYS A 43 8.692 2.120 -3.328 1.00 0.00 N ATOM 560 CA LYS A 43 8.270 3.550 -3.193 1.00 0.00 C ATOM 561 C LYS A 43 8.080 3.887 -1.713 1.00 0.00 C ATOM 562 O LYS A 43 7.464 3.151 -0.975 1.00 0.00 O ATOM 563 CB LYS A 43 6.961 3.776 -3.962 1.00 0.00 C ATOM 564 CG LYS A 43 6.287 5.071 -3.496 1.00 0.00 C ATOM 565 CD LYS A 43 6.075 5.996 -4.696 1.00 0.00 C ATOM 566 CE LYS A 43 7.057 7.166 -4.618 1.00 0.00 C ATOM 567 NZ LYS A 43 7.384 7.631 -5.995 1.00 0.00 N ATOM 0 H LYS A 43 7.948 1.431 -3.219 1.00 0.00 H new ATOM 0 HA LYS A 43 9.039 4.200 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.164 3.828 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.289 2.932 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.331 4.846 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.905 5.566 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.223 5.444 -5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.050 6.367 -4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.622 7.982 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.966 6.858 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.052 8.427 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.815 6.851 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.514 7.940 -6.473 1.00 0.00 H new ATOM 581 N ILE A 44 8.603 4.997 -1.270 1.00 0.00 N ATOM 582 CA ILE A 44 8.453 5.360 0.165 1.00 0.00 C ATOM 583 C ILE A 44 6.968 5.434 0.517 1.00 0.00 C ATOM 584 O ILE A 44 6.205 6.175 -0.071 1.00 0.00 O ATOM 585 CB ILE A 44 9.145 6.711 0.428 1.00 0.00 C ATOM 586 CG1 ILE A 44 10.570 6.449 0.915 1.00 0.00 C ATOM 587 CG2 ILE A 44 8.396 7.511 1.503 1.00 0.00 C ATOM 588 CD1 ILE A 44 10.518 5.577 2.171 1.00 0.00 C ATOM 0 H ILE A 44 9.125 5.665 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 44 8.922 4.602 0.792 1.00 0.00 H new ATOM 0 HB ILE A 44 9.150 7.286 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.148 5.952 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.072 7.392 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.905 8.460 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.375 7.700 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.376 6.942 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.532 5.386 2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.954 6.092 2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.031 4.630 1.937 1.00 0.00 H new ATOM 600 N CYS A 45 6.567 4.666 1.488 1.00 0.00 N ATOM 601 CA CYS A 45 5.145 4.671 1.915 1.00 0.00 C ATOM 602 C CYS A 45 5.063 5.226 3.332 1.00 0.00 C ATOM 603 O CYS A 45 4.039 5.714 3.763 1.00 0.00 O ATOM 604 CB CYS A 45 4.592 3.244 1.890 1.00 0.00 C ATOM 605 SG CYS A 45 5.869 2.079 2.431 1.00 0.00 S ATOM 0 H CYS A 45 7.170 4.029 2.008 1.00 0.00 H new ATOM 0 HA CYS A 45 4.557 5.290 1.237 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.721 3.171 2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.259 2.991 0.883 1.00 0.00 H new ATOM 610 N ARG A 46 6.143 5.161 4.059 1.00 0.00 N ATOM 611 CA ARG A 46 6.133 5.694 5.446 1.00 0.00 C ATOM 612 C ARG A 46 7.566 5.951 5.911 1.00 0.00 C ATOM 613 O ARG A 46 8.515 5.447 5.345 1.00 0.00 O ATOM 614 CB ARG A 46 5.463 4.684 6.380 1.00 0.00 C ATOM 615 CG ARG A 46 4.257 5.339 7.057 1.00 0.00 C ATOM 616 CD ARG A 46 3.092 4.348 7.101 1.00 0.00 C ATOM 617 NE ARG A 46 3.517 3.113 7.820 1.00 0.00 N ATOM 618 CZ ARG A 46 2.619 2.293 8.295 1.00 0.00 C ATOM 619 NH1 ARG A 46 1.469 2.164 7.690 1.00 0.00 N ATOM 620 NH2 ARG A 46 2.870 1.601 9.371 1.00 0.00 N ATOM 0 H ARG A 46 7.030 4.762 3.752 1.00 0.00 H new ATOM 0 HA ARG A 46 5.575 6.630 5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.145 3.806 5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.174 4.340 7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.520 5.652 8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.964 6.236 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.236 4.798 7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.773 4.101 6.089 1.00 0.00 H new ATOM 0 HE ARG A 46 4.509 2.909 7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.273 2.704 6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.767 1.524 8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.769 1.700 9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.167 0.961 9.741 1.00 0.00 H new ATOM 634 N ILE A 47 7.727 6.735 6.942 1.00 0.00 N ATOM 635 CA ILE A 47 9.094 7.029 7.451 1.00 0.00 C ATOM 636 C ILE A 47 9.527 5.919 8.411 1.00 0.00 C ATOM 637 O ILE A 47 8.710 5.200 8.952 1.00 0.00 O ATOM 638 CB ILE A 47 9.086 8.375 8.181 1.00 0.00 C ATOM 639 CG1 ILE A 47 10.524 8.864 8.358 1.00 0.00 C ATOM 640 CG2 ILE A 47 8.427 8.219 9.555 1.00 0.00 C ATOM 641 CD1 ILE A 47 10.604 10.347 7.994 1.00 0.00 C ATOM 0 H ILE A 47 6.968 7.185 7.454 1.00 0.00 H new ATOM 0 HA ILE A 47 9.795 7.077 6.618 1.00 0.00 H new ATOM 0 HB ILE A 47 8.521 9.099 7.594 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.847 8.713 9.388 1.00 0.00 H new ATOM 0 HG13 ILE A 47 11.197 8.286 7.725 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.425 9.180 10.069 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.401 7.872 9.429 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.985 7.493 10.146 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.628 10.698 8.120 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.298 10.484 6.957 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.943 10.918 8.646 1.00 0.00 H new ATOM 653 N ALA A 48 10.805 5.770 8.626 1.00 0.00 N ATOM 654 CA ALA A 48 11.283 4.703 9.549 1.00 0.00 C ATOM 655 C ALA A 48 11.883 5.344 10.802 1.00 0.00 C ATOM 656 O ALA A 48 12.376 6.453 10.769 1.00 0.00 O ATOM 657 CB ALA A 48 12.350 3.861 8.848 1.00 0.00 C ATOM 0 H ALA A 48 11.538 6.340 8.203 1.00 0.00 H new ATOM 0 HA ALA A 48 10.445 4.066 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.699 3.080 9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.924 3.404 7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.188 4.498 8.565 1.00 0.00 H new ATOM 663 N ARG A 49 11.847 4.651 11.906 1.00 0.00 N ATOM 664 CA ARG A 49 12.418 5.216 13.161 1.00 0.00 C ATOM 665 C ARG A 49 13.945 5.147 13.098 1.00 0.00 C ATOM 666 O ARG A 49 14.521 4.102 12.889 1.00 0.00 O ATOM 667 CB ARG A 49 11.918 4.409 14.358 1.00 0.00 C ATOM 668 CG ARG A 49 10.472 4.799 14.672 1.00 0.00 C ATOM 669 CD ARG A 49 10.396 5.387 16.082 1.00 0.00 C ATOM 670 NE ARG A 49 9.975 6.814 16.001 1.00 0.00 N ATOM 671 CZ ARG A 49 10.512 7.698 16.796 1.00 0.00 C ATOM 672 NH1 ARG A 49 10.588 7.463 18.079 1.00 0.00 N ATOM 673 NH2 ARG A 49 10.977 8.817 16.311 1.00 0.00 N ATOM 0 H ARG A 49 11.447 3.717 11.994 1.00 0.00 H new ATOM 0 HA ARG A 49 12.104 6.254 13.270 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.979 3.342 14.141 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.552 4.595 15.225 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.114 5.527 13.943 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.824 3.926 14.595 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.687 4.821 16.686 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.366 5.310 16.573 1.00 0.00 H new ATOM 0 HE ARG A 49 9.267 7.100 15.324 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.227 6.588 18.459 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.008 8.155 18.700 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.921 9.001 15.309 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.397 9.507 16.934 1.00 0.00 H new ATOM 687 N GLY A 50 14.604 6.253 13.268 1.00 0.00 N ATOM 688 CA GLY A 50 16.094 6.253 13.211 1.00 0.00 C ATOM 689 C GLY A 50 16.534 6.567 11.783 1.00 0.00 C ATOM 690 O GLY A 50 17.617 7.063 11.548 1.00 0.00 O ATOM 0 H GLY A 50 14.177 7.162 13.445 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.498 6.994 13.901 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.483 5.283 13.521 1.00 0.00 H new ATOM 694 N ASP A 51 15.690 6.274 10.835 1.00 0.00 N ATOM 695 CA ASP A 51 16.022 6.546 9.406 1.00 0.00 C ATOM 696 C ASP A 51 16.903 5.421 8.864 1.00 0.00 C ATOM 697 O ASP A 51 18.076 5.606 8.609 1.00 0.00 O ATOM 698 CB ASP A 51 16.756 7.884 9.285 1.00 0.00 C ATOM 699 CG ASP A 51 16.087 8.738 8.207 1.00 0.00 C ATOM 700 OD1 ASP A 51 15.241 8.213 7.503 1.00 0.00 O ATOM 701 OD2 ASP A 51 16.432 9.904 8.105 1.00 0.00 O ATOM 0 H ASP A 51 14.774 5.853 10.989 1.00 0.00 H new ATOM 0 HA ASP A 51 15.100 6.595 8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 51 16.739 8.408 10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 51 17.803 7.715 9.032 1.00 0.00 H new ATOM 706 N TRP A 52 16.343 4.258 8.682 1.00 0.00 N ATOM 707 CA TRP A 52 17.144 3.121 8.150 1.00 0.00 C ATOM 708 C TRP A 52 16.394 2.468 6.979 1.00 0.00 C ATOM 709 O TRP A 52 16.226 3.070 5.937 1.00 0.00 O ATOM 710 CB TRP A 52 17.396 2.102 9.267 1.00 0.00 C ATOM 711 CG TRP A 52 16.177 1.960 10.130 1.00 0.00 C ATOM 712 CD1 TRP A 52 14.897 1.892 9.687 1.00 0.00 C ATOM 713 CD2 TRP A 52 16.108 1.858 11.581 1.00 0.00 C ATOM 714 NE1 TRP A 52 14.054 1.760 10.776 1.00 0.00 N ATOM 715 CE2 TRP A 52 14.753 1.728 11.963 1.00 0.00 C ATOM 716 CE3 TRP A 52 17.082 1.866 12.593 1.00 0.00 C ATOM 717 CZ2 TRP A 52 14.377 1.606 13.302 1.00 0.00 C ATOM 718 CZ3 TRP A 52 16.708 1.747 13.941 1.00 0.00 C ATOM 719 CH2 TRP A 52 15.358 1.616 14.293 1.00 0.00 C ATOM 0 H TRP A 52 15.365 4.046 8.879 1.00 0.00 H new ATOM 0 HA TRP A 52 18.106 3.485 7.789 1.00 0.00 H new ATOM 0 HB2 TRP A 52 17.658 1.136 8.835 1.00 0.00 H new ATOM 0 HB3 TRP A 52 18.244 2.420 9.874 1.00 0.00 H new ATOM 0 HD1 TRP A 52 14.587 1.934 8.653 1.00 0.00 H new ATOM 0 HE1 TRP A 52 13.038 1.694 10.708 1.00 0.00 H new ATOM 0 HE3 TRP A 52 18.125 1.964 12.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 13.335 1.505 13.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 17.465 1.756 14.711 1.00 0.00 H new ATOM 0 HH2 TRP A 52 15.077 1.523 15.332 1.00 0.00 H new ATOM 730 N ASN A 53 15.940 1.248 7.128 1.00 0.00 N ATOM 731 CA ASN A 53 15.206 0.590 6.011 1.00 0.00 C ATOM 732 C ASN A 53 13.783 1.145 5.943 1.00 0.00 C ATOM 733 O ASN A 53 12.842 0.520 6.391 1.00 0.00 O ATOM 734 CB ASN A 53 15.152 -0.919 6.256 1.00 0.00 C ATOM 735 CG ASN A 53 16.277 -1.607 5.480 1.00 0.00 C ATOM 736 OD1 ASN A 53 16.961 -2.461 6.010 1.00 0.00 O ATOM 737 ND2 ASN A 53 16.500 -1.270 4.240 1.00 0.00 N ATOM 0 H ASN A 53 16.047 0.684 7.971 1.00 0.00 H new ATOM 0 HA ASN A 53 15.720 0.788 5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.251 -1.128 7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 53 14.186 -1.314 5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 53 17.248 -1.723 3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 53 15.926 -0.554 3.795 1.00 0.00 H new ATOM 744 N ASP A 54 13.616 2.314 5.387 1.00 0.00 N ATOM 745 CA ASP A 54 12.251 2.906 5.293 1.00 0.00 C ATOM 746 C ASP A 54 11.331 1.950 4.530 1.00 0.00 C ATOM 747 O ASP A 54 11.768 1.194 3.687 1.00 0.00 O ATOM 748 CB ASP A 54 12.327 4.242 4.550 1.00 0.00 C ATOM 749 CG ASP A 54 12.838 5.326 5.499 1.00 0.00 C ATOM 750 OD1 ASP A 54 13.735 5.033 6.272 1.00 0.00 O ATOM 751 OD2 ASP A 54 12.325 6.431 5.437 1.00 0.00 O ATOM 0 H ASP A 54 14.365 2.884 4.994 1.00 0.00 H new ATOM 0 HA ASP A 54 11.855 3.068 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.991 4.154 3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.343 4.514 4.167 1.00 0.00 H new ATOM 756 N ASP A 55 10.060 1.979 4.823 1.00 0.00 N ATOM 757 CA ASP A 55 9.111 1.073 4.116 1.00 0.00 C ATOM 758 C ASP A 55 9.006 1.493 2.649 1.00 0.00 C ATOM 759 O ASP A 55 9.082 2.662 2.322 1.00 0.00 O ATOM 760 CB ASP A 55 7.735 1.166 4.778 1.00 0.00 C ATOM 761 CG ASP A 55 7.885 0.958 6.287 1.00 0.00 C ATOM 762 OD1 ASP A 55 8.725 0.162 6.675 1.00 0.00 O ATOM 763 OD2 ASP A 55 7.158 1.598 7.028 1.00 0.00 O ATOM 0 H ASP A 55 9.638 2.591 5.521 1.00 0.00 H new ATOM 0 HA ASP A 55 9.472 0.046 4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.287 2.139 4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.066 0.414 4.360 1.00 0.00 H new ATOM 768 N ARG A 56 8.836 0.552 1.760 1.00 0.00 N ATOM 769 CA ARG A 56 8.733 0.906 0.316 1.00 0.00 C ATOM 770 C ARG A 56 7.534 0.195 -0.316 1.00 0.00 C ATOM 771 O ARG A 56 7.242 -0.944 -0.011 1.00 0.00 O ATOM 772 CB ARG A 56 10.014 0.485 -0.406 1.00 0.00 C ATOM 773 CG ARG A 56 11.230 0.860 0.444 1.00 0.00 C ATOM 774 CD ARG A 56 12.208 1.680 -0.400 1.00 0.00 C ATOM 775 NE ARG A 56 13.427 1.979 0.403 1.00 0.00 N ATOM 776 CZ ARG A 56 14.553 1.382 0.127 1.00 0.00 C ATOM 777 NH1 ARG A 56 14.561 0.109 -0.159 1.00 0.00 N ATOM 778 NH2 ARG A 56 15.669 2.058 0.135 1.00 0.00 N ATOM 0 H ARG A 56 8.764 -0.443 1.971 1.00 0.00 H new ATOM 0 HA ARG A 56 8.597 1.984 0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.004 -0.589 -0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.073 0.974 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.915 1.434 1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.719 -0.040 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.479 1.129 -1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.736 2.608 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 56 13.381 2.651 1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.687 -0.418 -0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.441 -0.360 -0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.661 3.053 0.357 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.550 1.591 -0.081 1.00 0.00 H new ATOM 792 N CYS A 57 6.842 0.862 -1.205 1.00 0.00 N ATOM 793 CA CYS A 57 5.670 0.228 -1.867 1.00 0.00 C ATOM 794 C CYS A 57 6.090 -1.134 -2.392 1.00 0.00 C ATOM 795 O CYS A 57 7.204 -1.301 -2.851 1.00 0.00 O ATOM 796 CB CYS A 57 5.209 1.083 -3.044 1.00 0.00 C ATOM 797 SG CYS A 57 3.721 0.357 -3.773 1.00 0.00 S ATOM 0 H CYS A 57 7.041 1.818 -1.499 1.00 0.00 H new ATOM 0 HA CYS A 57 4.856 0.132 -1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.004 2.100 -2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.999 1.147 -3.792 1.00 0.00 H new ATOM 802 N THR A 58 5.203 -2.099 -2.327 1.00 0.00 N ATOM 803 CA THR A 58 5.524 -3.471 -2.817 1.00 0.00 C ATOM 804 C THR A 58 5.441 -3.516 -4.344 1.00 0.00 C ATOM 805 O THR A 58 6.081 -4.327 -4.985 1.00 0.00 O ATOM 806 CB THR A 58 4.522 -4.466 -2.225 1.00 0.00 C ATOM 807 OG1 THR A 58 3.645 -3.783 -1.340 1.00 0.00 O ATOM 808 CG2 THR A 58 5.273 -5.557 -1.461 1.00 0.00 C ATOM 0 H THR A 58 4.261 -1.990 -1.951 1.00 0.00 H new ATOM 0 HA THR A 58 6.535 -3.734 -2.507 1.00 0.00 H new ATOM 0 HB THR A 58 3.945 -4.922 -3.029 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.275 -4.418 -0.692 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.558 -6.264 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.945 -6.081 -2.141 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.852 -5.105 -0.656 1.00 0.00 H new ATOM 816 N GLY A 59 4.656 -2.659 -4.934 1.00 0.00 N ATOM 817 CA GLY A 59 4.537 -2.659 -6.419 1.00 0.00 C ATOM 818 C GLY A 59 3.083 -2.918 -6.815 1.00 0.00 C ATOM 819 O GLY A 59 2.592 -2.381 -7.789 1.00 0.00 O ATOM 0 H GLY A 59 4.092 -1.959 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.869 -1.702 -6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.183 -3.426 -6.846 1.00 0.00 H new ATOM 823 N GLN A 60 2.391 -3.736 -6.073 1.00 0.00 N ATOM 824 CA GLN A 60 0.972 -4.029 -6.416 1.00 0.00 C ATOM 825 C GLN A 60 0.104 -3.931 -5.161 1.00 0.00 C ATOM 826 O GLN A 60 -1.092 -4.142 -5.209 1.00 0.00 O ATOM 827 CB GLN A 60 0.869 -5.442 -6.995 1.00 0.00 C ATOM 828 CG GLN A 60 1.845 -5.587 -8.165 1.00 0.00 C ATOM 829 CD GLN A 60 1.960 -7.062 -8.554 1.00 0.00 C ATOM 830 OE1 GLN A 60 1.092 -7.853 -8.244 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.002 -7.467 -9.226 1.00 0.00 N ATOM 0 H GLN A 60 2.746 -4.214 -5.245 1.00 0.00 H new ATOM 0 HA GLN A 60 0.624 -3.304 -7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.096 -6.179 -6.225 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.150 -5.635 -7.331 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.498 -5.001 -9.016 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.824 -5.196 -7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.731 -6.803 -9.486 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.088 -8.448 -9.491 1.00 0.00 H new ATOM 840 N SER A 61 0.688 -3.624 -4.034 1.00 0.00 N ATOM 841 CA SER A 61 -0.125 -3.527 -2.789 1.00 0.00 C ATOM 842 C SER A 61 -0.255 -2.062 -2.361 1.00 0.00 C ATOM 843 O SER A 61 0.717 -1.418 -2.018 1.00 0.00 O ATOM 844 CB SER A 61 0.556 -4.326 -1.675 1.00 0.00 C ATOM 845 OG SER A 61 0.430 -3.625 -0.445 1.00 0.00 O ATOM 0 H SER A 61 1.685 -3.438 -3.922 1.00 0.00 H new ATOM 0 HA SER A 61 -1.119 -3.932 -2.977 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.102 -5.313 -1.591 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.609 -4.478 -1.913 1.00 0.00 H new ATOM 0 HG SER A 61 1.182 -3.854 0.140 1.00 0.00 H new ATOM 851 N ALA A 62 -1.450 -1.533 -2.367 1.00 0.00 N ATOM 852 CA ALA A 62 -1.636 -0.115 -1.948 1.00 0.00 C ATOM 853 C ALA A 62 -1.294 0.009 -0.466 1.00 0.00 C ATOM 854 O ALA A 62 -0.745 0.999 -0.025 1.00 0.00 O ATOM 855 CB ALA A 62 -3.089 0.307 -2.166 1.00 0.00 C ATOM 0 H ALA A 62 -2.302 -2.021 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.985 0.528 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.217 1.345 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.342 0.209 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.746 -0.331 -1.575 1.00 0.00 H new ATOM 861 N ASP A 63 -1.606 -0.996 0.304 1.00 0.00 N ATOM 862 CA ASP A 63 -1.291 -0.943 1.757 1.00 0.00 C ATOM 863 C ASP A 63 0.190 -1.264 1.944 1.00 0.00 C ATOM 864 O ASP A 63 0.598 -2.407 1.924 1.00 0.00 O ATOM 865 CB ASP A 63 -2.143 -1.969 2.506 1.00 0.00 C ATOM 866 CG ASP A 63 -3.590 -1.477 2.572 1.00 0.00 C ATOM 867 OD1 ASP A 63 -4.062 -0.952 1.577 1.00 0.00 O ATOM 868 OD2 ASP A 63 -4.201 -1.632 3.616 1.00 0.00 O ATOM 0 H ASP A 63 -2.065 -1.851 -0.011 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.509 0.049 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.098 -2.934 2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.752 -2.118 3.512 1.00 0.00 H new ATOM 873 N CYS A 64 0.997 -0.256 2.113 1.00 0.00 N ATOM 874 CA CYS A 64 2.455 -0.484 2.284 1.00 0.00 C ATOM 875 C CYS A 64 2.693 -1.556 3.341 1.00 0.00 C ATOM 876 O CYS A 64 2.108 -1.525 4.405 1.00 0.00 O ATOM 877 CB CYS A 64 3.123 0.824 2.704 1.00 0.00 C ATOM 878 SG CYS A 64 4.842 0.503 3.169 1.00 0.00 S ATOM 0 H CYS A 64 0.706 0.721 2.140 1.00 0.00 H new ATOM 0 HA CYS A 64 2.884 -0.823 1.341 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.085 1.543 1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.585 1.266 3.542 1.00 0.00 H new ATOM 883 N PRO A 65 3.549 -2.486 3.001 1.00 0.00 N ATOM 884 CA PRO A 65 3.894 -3.604 3.883 1.00 0.00 C ATOM 885 C PRO A 65 4.886 -3.154 4.961 1.00 0.00 C ATOM 886 O PRO A 65 5.245 -1.997 5.045 1.00 0.00 O ATOM 887 CB PRO A 65 4.543 -4.611 2.935 1.00 0.00 C ATOM 888 CG PRO A 65 5.037 -3.821 1.707 1.00 0.00 C ATOM 889 CD PRO A 65 4.254 -2.505 1.698 1.00 0.00 C ATOM 0 HA PRO A 65 3.035 -4.012 4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.372 -5.122 3.424 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.827 -5.378 2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.109 -3.635 1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.864 -4.382 0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.919 -1.648 1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.551 -2.466 0.866 1.00 0.00 H new ATOM 897 N ARG A 66 5.329 -4.065 5.784 1.00 0.00 N ATOM 898 CA ARG A 66 6.297 -3.696 6.855 1.00 0.00 C ATOM 899 C ARG A 66 7.707 -4.115 6.430 1.00 0.00 C ATOM 900 O ARG A 66 8.029 -5.285 6.386 1.00 0.00 O ATOM 901 CB ARG A 66 5.917 -4.417 8.151 1.00 0.00 C ATOM 902 CG ARG A 66 6.934 -4.078 9.242 1.00 0.00 C ATOM 903 CD ARG A 66 6.215 -3.432 10.427 1.00 0.00 C ATOM 904 NE ARG A 66 7.197 -2.668 11.248 1.00 0.00 N ATOM 905 CZ ARG A 66 7.829 -1.652 10.730 1.00 0.00 C ATOM 906 NH1 ARG A 66 8.938 -1.841 10.066 1.00 0.00 N ATOM 907 NH2 ARG A 66 7.355 -0.445 10.874 1.00 0.00 N ATOM 0 H ARG A 66 5.062 -5.049 5.761 1.00 0.00 H new ATOM 0 HA ARG A 66 6.272 -2.619 7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.917 -4.118 8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.891 -5.494 7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.451 -4.981 9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.692 -3.400 8.849 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.428 -2.767 10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.734 -4.198 11.036 1.00 0.00 H new ATOM 0 HE ARG A 66 7.375 -2.940 12.215 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.310 -2.784 9.952 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.432 -1.046 9.661 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.489 -0.296 11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.850 0.349 10.468 1.00 0.00 H new ATOM 921 N ASN A 67 8.551 -3.168 6.116 1.00 0.00 N ATOM 922 CA ASN A 67 9.938 -3.517 5.695 1.00 0.00 C ATOM 923 C ASN A 67 10.938 -2.964 6.713 1.00 0.00 C ATOM 924 O ASN A 67 11.862 -2.254 6.366 1.00 0.00 O ATOM 925 CB ASN A 67 10.221 -2.906 4.319 1.00 0.00 C ATOM 926 CG ASN A 67 10.538 -4.022 3.321 1.00 0.00 C ATOM 927 OD1 ASN A 67 10.387 -5.188 3.626 1.00 0.00 O ATOM 928 ND2 ASN A 67 10.973 -3.711 2.131 1.00 0.00 N ATOM 0 H ASN A 67 8.340 -2.170 6.133 1.00 0.00 H new ATOM 0 HA ASN A 67 10.038 -4.601 5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.358 -2.334 3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.059 -2.212 4.383 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.186 -4.447 1.457 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.100 -2.732 1.874 1.00 0.00 H new ATOM 935 N GLY A 68 10.763 -3.286 7.964 1.00 0.00 N ATOM 936 CA GLY A 68 11.706 -2.780 9.003 1.00 0.00 C ATOM 937 C GLY A 68 12.934 -3.693 9.068 1.00 0.00 C ATOM 938 O GLY A 68 13.063 -4.631 8.308 1.00 0.00 O ATOM 0 H GLY A 68 10.009 -3.877 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.010 -1.760 8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.211 -2.749 9.974 1.00 0.00 H new ATOM 942 N LEU A 69 13.834 -3.425 9.975 1.00 0.00 N ATOM 943 CA LEU A 69 15.051 -4.278 10.092 1.00 0.00 C ATOM 944 C LEU A 69 14.788 -5.400 11.098 1.00 0.00 C ATOM 945 O LEU A 69 15.699 -5.946 11.687 1.00 0.00 O ATOM 946 CB LEU A 69 16.227 -3.427 10.578 1.00 0.00 C ATOM 947 CG LEU A 69 16.781 -2.604 9.414 1.00 0.00 C ATOM 948 CD1 LEU A 69 16.664 -1.116 9.743 1.00 0.00 C ATOM 949 CD2 LEU A 69 18.252 -2.962 9.192 1.00 0.00 C ATOM 0 H LEU A 69 13.779 -2.653 10.639 1.00 0.00 H new ATOM 0 HA LEU A 69 15.290 -4.706 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.903 -2.766 11.382 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.008 -4.068 10.987 1.00 0.00 H new ATOM 0 HG LEU A 69 16.213 -2.823 8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 69 17.058 -0.528 8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.617 -0.860 9.903 1.00 0.00 H new ATOM 0 HD13 LEU A 69 17.233 -0.897 10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 69 18.648 -2.376 8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 69 18.820 -2.742 10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 69 18.337 -4.023 8.959 1.00 0.00 H new ATOM 961 N TYR A 70 13.546 -5.744 11.302 1.00 0.00 N ATOM 962 CA TYR A 70 13.221 -6.828 12.273 1.00 0.00 C ATOM 963 C TYR A 70 11.804 -7.343 12.009 1.00 0.00 C ATOM 964 O TYR A 70 11.175 -6.984 11.033 1.00 0.00 O ATOM 965 CB TYR A 70 13.313 -6.290 13.708 1.00 0.00 C ATOM 966 CG TYR A 70 13.129 -4.788 13.716 1.00 0.00 C ATOM 967 CD1 TYR A 70 11.869 -4.234 13.461 1.00 0.00 C ATOM 968 CD2 TYR A 70 14.222 -3.950 13.977 1.00 0.00 C ATOM 969 CE1 TYR A 70 11.700 -2.843 13.469 1.00 0.00 C ATOM 970 CE2 TYR A 70 14.052 -2.561 13.984 1.00 0.00 C ATOM 971 CZ TYR A 70 12.792 -2.007 13.731 1.00 0.00 C ATOM 972 OH TYR A 70 12.625 -0.637 13.737 1.00 0.00 O ATOM 0 H TYR A 70 12.742 -5.321 10.838 1.00 0.00 H new ATOM 0 HA TYR A 70 13.934 -7.643 12.151 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.551 -6.760 14.330 1.00 0.00 H new ATOM 0 HB3 TYR A 70 14.280 -6.547 14.139 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.027 -4.879 13.258 1.00 0.00 H new ATOM 0 HD2 TYR A 70 15.195 -4.376 14.173 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.728 -2.416 13.273 1.00 0.00 H new ATOM 0 HE2 TYR A 70 14.894 -1.916 14.185 1.00 0.00 H new ATOM 0 HH TYR A 70 13.445 -0.206 13.416 1.00 0.00 H new ATOM 982 N GLY A 71 11.297 -8.183 12.870 1.00 0.00 N ATOM 983 CA GLY A 71 9.922 -8.720 12.666 1.00 0.00 C ATOM 984 C GLY A 71 8.905 -7.770 13.301 1.00 0.00 C ATOM 985 O GLY A 71 7.774 -8.186 13.491 1.00 0.00 O ATOM 986 OXT GLY A 71 9.275 -6.642 13.584 1.00 0.00 O ATOM 0 H GLY A 71 11.775 -8.520 13.705 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.717 -8.830 11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.837 -9.711 13.111 1.00 0.00 H new TER 990 GLY A 71