USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 439 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 NoAdj-H: A 42 HIS HD1 : A 42 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 16 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.3!) USER MOD Single : A 20 SER OG : rot -149:sc= -0.293 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= -0.331 (180deg=-1.38!) USER MOD Single : A 36 SER OG : rot 89:sc= 1.23 USER MOD Single : A 37 THR OG1 : rot 160:sc= 0.0117 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00415) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.452 3.388 -29.030 1.00 0.00 N ATOM 2 CA GLY A 1 0.764 2.777 -27.752 1.00 0.00 C ATOM 3 C GLY A 1 -0.157 3.248 -26.644 1.00 0.00 C ATOM 4 O GLY A 1 0.182 4.159 -25.890 1.00 0.00 O ATOM 0 H1 GLY A 1 1.109 3.034 -29.754 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.523 3.148 -29.301 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.546 4.421 -28.953 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.692 1.693 -27.844 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.796 3.007 -27.485 1.00 0.00 H new ATOM 8 N SER A 2 -1.328 2.626 -26.546 1.00 0.00 N ATOM 9 CA SER A 2 -2.304 2.990 -25.526 1.00 0.00 C ATOM 10 C SER A 2 -2.926 1.745 -24.900 1.00 0.00 C ATOM 11 O SER A 2 -2.849 0.651 -25.460 1.00 0.00 O ATOM 12 CB SER A 2 -3.398 3.873 -26.129 1.00 0.00 C ATOM 13 OG SER A 2 -2.839 4.961 -26.844 1.00 0.00 O ATOM 0 H SER A 2 -1.623 1.868 -27.161 1.00 0.00 H new ATOM 0 HA SER A 2 -1.786 3.548 -24.745 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.023 3.279 -26.795 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.045 4.249 -25.336 1.00 0.00 H new ATOM 0 HG SER A 2 -3.559 5.509 -27.221 1.00 0.00 H new ATOM 19 N SER A 3 -3.543 1.921 -23.736 1.00 0.00 N ATOM 20 CA SER A 3 -4.175 0.812 -23.031 1.00 0.00 C ATOM 21 C SER A 3 -5.689 0.845 -23.214 1.00 0.00 C ATOM 22 O SER A 3 -6.293 -0.127 -23.666 1.00 0.00 O ATOM 23 CB SER A 3 -3.829 0.863 -21.542 1.00 0.00 C ATOM 24 OG SER A 3 -4.576 -0.094 -20.811 1.00 0.00 O ATOM 0 H SER A 3 -3.619 2.821 -23.261 1.00 0.00 H new ATOM 0 HA SER A 3 -3.795 -0.118 -23.453 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.763 0.678 -21.407 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.031 1.861 -21.153 1.00 0.00 H new ATOM 0 HG SER A 3 -4.335 -0.042 -19.862 1.00 0.00 H new ATOM 30 N GLY A 4 -6.298 1.973 -22.859 1.00 0.00 N ATOM 31 CA GLY A 4 -7.736 2.113 -22.990 1.00 0.00 C ATOM 32 C GLY A 4 -8.398 2.541 -21.695 1.00 0.00 C ATOM 33 O GLY A 4 -8.064 2.036 -20.623 1.00 0.00 O ATOM 0 H GLY A 4 -5.820 2.792 -22.483 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.957 2.845 -23.767 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.162 1.164 -23.316 1.00 0.00 H new ATOM 37 N SER A 5 -9.338 3.475 -21.793 1.00 0.00 N ATOM 38 CA SER A 5 -10.045 3.974 -20.620 1.00 0.00 C ATOM 39 C SER A 5 -11.097 2.973 -20.152 1.00 0.00 C ATOM 40 O SER A 5 -12.171 2.863 -20.742 1.00 0.00 O ATOM 41 CB SER A 5 -10.707 5.319 -20.930 1.00 0.00 C ATOM 42 OG SER A 5 -11.307 5.871 -19.772 1.00 0.00 O ATOM 0 H SER A 5 -9.628 3.902 -22.673 1.00 0.00 H new ATOM 0 HA SER A 5 -9.317 4.111 -19.820 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.963 6.012 -21.323 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.461 5.186 -21.706 1.00 0.00 H new ATOM 0 HG SER A 5 -11.721 6.730 -19.996 1.00 0.00 H new ATOM 48 N SER A 6 -10.779 2.245 -19.087 1.00 0.00 N ATOM 49 CA SER A 6 -11.694 1.249 -18.541 1.00 0.00 C ATOM 50 C SER A 6 -11.336 0.918 -17.095 1.00 0.00 C ATOM 51 O SER A 6 -10.218 0.498 -16.801 1.00 0.00 O ATOM 52 CB SER A 6 -11.663 -0.023 -19.390 1.00 0.00 C ATOM 53 OG SER A 6 -12.827 -0.804 -19.181 1.00 0.00 O ATOM 0 H SER A 6 -9.895 2.326 -18.585 1.00 0.00 H new ATOM 0 HA SER A 6 -12.701 1.666 -18.562 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.583 0.242 -20.444 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.778 -0.609 -19.141 1.00 0.00 H new ATOM 0 HG SER A 6 -12.784 -1.610 -19.736 1.00 0.00 H new ATOM 59 N GLY A 7 -12.296 1.110 -16.195 1.00 0.00 N ATOM 60 CA GLY A 7 -12.064 0.828 -14.791 1.00 0.00 C ATOM 61 C GLY A 7 -13.332 0.915 -13.965 1.00 0.00 C ATOM 62 O GLY A 7 -13.507 1.822 -13.151 1.00 0.00 O ATOM 0 H GLY A 7 -13.230 1.456 -16.414 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.636 -0.169 -14.690 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.330 1.531 -14.399 1.00 0.00 H new ATOM 66 N PRO A 8 -14.245 -0.046 -14.172 1.00 0.00 N ATOM 67 CA PRO A 8 -15.520 -0.095 -13.450 1.00 0.00 C ATOM 68 C PRO A 8 -15.339 -0.447 -11.977 1.00 0.00 C ATOM 69 O PRO A 8 -16.292 -0.410 -11.199 1.00 0.00 O ATOM 70 CB PRO A 8 -16.294 -1.200 -14.173 1.00 0.00 C ATOM 71 CG PRO A 8 -15.244 -2.071 -14.770 1.00 0.00 C ATOM 72 CD PRO A 8 -14.102 -1.159 -15.125 1.00 0.00 C ATOM 0 HA PRO A 8 -16.027 0.870 -13.451 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -16.925 -1.758 -13.482 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.949 -0.787 -14.940 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.926 -2.838 -14.064 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.621 -2.587 -15.653 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.140 -1.659 -15.017 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.168 -0.815 -16.157 1.00 0.00 H new ATOM 80 N SER A 9 -14.111 -0.790 -11.602 1.00 0.00 N ATOM 81 CA SER A 9 -13.806 -1.152 -10.223 1.00 0.00 C ATOM 82 C SER A 9 -13.624 0.094 -9.361 1.00 0.00 C ATOM 83 O SER A 9 -13.156 1.128 -9.837 1.00 0.00 O ATOM 84 CB SER A 9 -12.543 -2.014 -10.166 1.00 0.00 C ATOM 85 OG SER A 9 -12.154 -2.263 -8.827 1.00 0.00 O ATOM 0 H SER A 9 -13.311 -0.825 -12.234 1.00 0.00 H new ATOM 0 HA SER A 9 -14.646 -1.725 -9.830 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.721 -2.960 -10.678 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.733 -1.513 -10.696 1.00 0.00 H new ATOM 0 HG SER A 9 -11.346 -2.817 -8.819 1.00 0.00 H new ATOM 91 N ARG A 10 -13.997 -0.014 -8.090 1.00 0.00 N ATOM 92 CA ARG A 10 -13.876 1.104 -7.161 1.00 0.00 C ATOM 93 C ARG A 10 -12.562 1.848 -7.374 1.00 0.00 C ATOM 94 O ARG A 10 -11.556 1.275 -7.793 1.00 0.00 O ATOM 95 CB ARG A 10 -13.965 0.606 -5.717 1.00 0.00 C ATOM 96 CG ARG A 10 -15.381 0.279 -5.271 1.00 0.00 C ATOM 97 CD ARG A 10 -15.438 -0.036 -3.785 1.00 0.00 C ATOM 98 NE ARG A 10 -14.738 -1.277 -3.461 1.00 0.00 N ATOM 99 CZ ARG A 10 -14.288 -1.571 -2.246 1.00 0.00 C ATOM 100 NH1 ARG A 10 -14.465 -0.719 -1.246 1.00 0.00 N ATOM 101 NH2 ARG A 10 -13.661 -2.720 -2.030 1.00 0.00 N ATOM 0 H ARG A 10 -14.385 -0.863 -7.680 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.698 1.793 -7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.345 -0.284 -5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.551 1.365 -5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.037 1.122 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.755 -0.573 -5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.996 0.787 -3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.479 -0.114 -3.471 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.587 -1.954 -4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.948 0.165 -1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.119 -0.947 -0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.524 -3.378 -2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.316 -2.945 -1.097 1.00 0.00 H new ATOM 115 N PRO A 11 -12.568 3.157 -7.080 1.00 0.00 N ATOM 116 CA PRO A 11 -11.385 4.008 -7.232 1.00 0.00 C ATOM 117 C PRO A 11 -10.302 3.684 -6.208 1.00 0.00 C ATOM 118 O PRO A 11 -10.329 2.628 -5.575 1.00 0.00 O ATOM 119 CB PRO A 11 -11.931 5.420 -7.004 1.00 0.00 C ATOM 120 CG PRO A 11 -13.142 5.225 -6.158 1.00 0.00 C ATOM 121 CD PRO A 11 -13.732 3.906 -6.577 1.00 0.00 C ATOM 0 HA PRO A 11 -10.908 3.872 -8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.197 6.053 -6.505 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.181 5.905 -7.948 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.882 5.217 -5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.855 6.036 -6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.208 3.395 -5.740 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.492 4.032 -7.348 1.00 0.00 H new ATOM 129 N VAL A 12 -9.351 4.598 -6.050 1.00 0.00 N ATOM 130 CA VAL A 12 -8.260 4.410 -5.101 1.00 0.00 C ATOM 131 C VAL A 12 -8.688 4.791 -3.688 1.00 0.00 C ATOM 132 O VAL A 12 -7.916 5.383 -2.933 1.00 0.00 O ATOM 133 CB VAL A 12 -7.025 5.242 -5.494 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.529 4.844 -6.875 1.00 0.00 C ATOM 135 CG2 VAL A 12 -7.345 6.728 -5.441 1.00 0.00 C ATOM 0 H VAL A 12 -9.314 5.477 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.999 3.352 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.229 5.039 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.656 5.443 -7.135 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.257 3.788 -6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.317 5.015 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.461 7.301 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.157 6.950 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.647 6.999 -4.429 1.00 0.00 H new ATOM 145 N ARG A 13 -9.923 4.448 -3.337 1.00 0.00 N ATOM 146 CA ARG A 13 -10.454 4.755 -2.015 1.00 0.00 C ATOM 147 C ARG A 13 -9.768 3.912 -0.944 1.00 0.00 C ATOM 148 O ARG A 13 -9.142 4.429 -0.019 1.00 0.00 O ATOM 149 CB ARG A 13 -11.964 4.512 -1.980 1.00 0.00 C ATOM 150 CG ARG A 13 -12.788 5.757 -2.268 1.00 0.00 C ATOM 151 CD ARG A 13 -13.097 6.527 -0.994 1.00 0.00 C ATOM 152 NE ARG A 13 -12.082 7.538 -0.706 1.00 0.00 N ATOM 153 CZ ARG A 13 -12.287 8.578 0.095 1.00 0.00 C ATOM 154 NH1 ARG A 13 -13.463 8.743 0.684 1.00 0.00 N ATOM 155 NH2 ARG A 13 -11.314 9.455 0.308 1.00 0.00 N ATOM 0 H ARG A 13 -10.574 3.957 -3.950 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.257 5.807 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.217 3.743 -2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.238 4.124 -0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.247 6.401 -2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.719 5.473 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.071 7.007 -1.088 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.164 5.832 -0.157 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.166 7.440 -1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.213 8.071 0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.618 9.542 1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.408 9.331 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.472 10.253 0.923 1.00 0.00 H new ATOM 169 N PRO A 14 -9.888 2.582 -1.070 1.00 0.00 N ATOM 170 CA PRO A 14 -9.286 1.640 -0.123 1.00 0.00 C ATOM 171 C PRO A 14 -7.765 1.610 -0.221 1.00 0.00 C ATOM 172 O PRO A 14 -7.200 1.785 -1.300 1.00 0.00 O ATOM 173 CB PRO A 14 -9.875 0.290 -0.542 1.00 0.00 C ATOM 174 CG PRO A 14 -10.216 0.457 -1.982 1.00 0.00 C ATOM 175 CD PRO A 14 -10.620 1.896 -2.148 1.00 0.00 C ATOM 0 HA PRO A 14 -9.498 1.911 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.158 -0.518 -0.396 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.758 0.043 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.363 0.216 -2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.027 -0.212 -2.271 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.343 2.280 -3.130 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.698 2.025 -2.047 1.00 0.00 H new ATOM 183 N ASN A 15 -7.107 1.388 0.912 1.00 0.00 N ATOM 184 CA ASN A 15 -5.650 1.336 0.953 1.00 0.00 C ATOM 185 C ASN A 15 -5.164 -0.077 1.260 1.00 0.00 C ATOM 186 O ASN A 15 -4.045 -0.271 1.731 1.00 0.00 O ATOM 187 CB ASN A 15 -5.113 2.311 2.002 1.00 0.00 C ATOM 188 CG ASN A 15 -5.487 3.750 1.700 1.00 0.00 C ATOM 189 OD1 ASN A 15 -5.431 4.189 0.551 1.00 0.00 O ATOM 190 ND2 ASN A 15 -5.870 4.491 2.733 1.00 0.00 N ATOM 0 H ASN A 15 -7.560 1.241 1.814 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.274 1.625 -0.028 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.502 2.036 2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.028 2.224 2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.133 5.466 2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.901 4.085 3.668 1.00 0.00 H new ATOM 197 N ASN A 16 -6.015 -1.061 0.988 1.00 0.00 N ATOM 198 CA ASN A 16 -5.673 -2.457 1.236 1.00 0.00 C ATOM 199 C ASN A 16 -5.032 -3.087 0.003 1.00 0.00 C ATOM 200 O ASN A 16 -5.712 -3.707 -0.815 1.00 0.00 O ATOM 201 CB ASN A 16 -6.922 -3.247 1.634 1.00 0.00 C ATOM 202 CG ASN A 16 -8.180 -2.706 0.984 1.00 0.00 C ATOM 203 OD1 ASN A 16 -8.759 -1.723 1.448 1.00 0.00 O ATOM 204 ND2 ASN A 16 -8.610 -3.348 -0.096 1.00 0.00 N ATOM 0 H ASN A 16 -6.946 -0.918 0.596 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.954 -2.489 2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.792 -4.292 1.353 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.036 -3.220 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.452 -3.031 -0.576 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.098 -4.158 -0.445 1.00 0.00 H new ATOM 211 N ARG A 17 -3.719 -2.924 -0.123 1.00 0.00 N ATOM 212 CA ARG A 17 -2.986 -3.475 -1.256 1.00 0.00 C ATOM 213 C ARG A 17 -1.481 -3.326 -1.054 1.00 0.00 C ATOM 214 O ARG A 17 -1.027 -2.475 -0.288 1.00 0.00 O ATOM 215 CB ARG A 17 -3.408 -2.780 -2.551 1.00 0.00 C ATOM 216 CG ARG A 17 -4.641 -3.391 -3.197 1.00 0.00 C ATOM 217 CD ARG A 17 -4.671 -3.135 -4.695 1.00 0.00 C ATOM 218 NE ARG A 17 -6.032 -3.138 -5.224 1.00 0.00 N ATOM 219 CZ ARG A 17 -6.340 -3.520 -6.459 1.00 0.00 C ATOM 220 NH1 ARG A 17 -5.388 -3.929 -7.287 1.00 0.00 N ATOM 221 NH2 ARG A 17 -7.602 -3.494 -6.867 1.00 0.00 N ATOM 0 H ARG A 17 -3.141 -2.415 0.546 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.223 -4.537 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.601 -1.728 -2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.581 -2.818 -3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.656 -4.465 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.538 -2.975 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.202 -2.175 -4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.082 -3.898 -5.205 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.788 -2.830 -4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.417 -3.951 -6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.627 -4.222 -8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.337 -3.181 -6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.838 -3.787 -7.815 1.00 0.00 H new ATOM 235 N CYS A 18 -0.711 -4.160 -1.745 1.00 0.00 N ATOM 236 CA CYS A 18 0.743 -4.123 -1.641 1.00 0.00 C ATOM 237 C CYS A 18 1.341 -3.211 -2.709 1.00 0.00 C ATOM 238 O CYS A 18 0.964 -3.276 -3.879 1.00 0.00 O ATOM 239 CB CYS A 18 1.321 -5.533 -1.777 1.00 0.00 C ATOM 240 SG CYS A 18 3.109 -5.639 -1.446 1.00 0.00 S ATOM 0 H CYS A 18 -1.070 -4.870 -2.383 1.00 0.00 H new ATOM 0 HA CYS A 18 1.003 -3.724 -0.660 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.795 -6.197 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.127 -5.898 -2.786 1.00 0.00 H new ATOM 245 N PHE A 19 2.277 -2.362 -2.297 1.00 0.00 N ATOM 246 CA PHE A 19 2.927 -1.436 -3.216 1.00 0.00 C ATOM 247 C PHE A 19 4.048 -2.130 -3.984 1.00 0.00 C ATOM 248 O PHE A 19 4.963 -1.481 -4.490 1.00 0.00 O ATOM 249 CB PHE A 19 3.485 -0.233 -2.453 1.00 0.00 C ATOM 250 CG PHE A 19 3.934 0.888 -3.346 1.00 0.00 C ATOM 251 CD1 PHE A 19 3.012 1.761 -3.900 1.00 0.00 C ATOM 252 CD2 PHE A 19 5.278 1.069 -3.631 1.00 0.00 C ATOM 253 CE1 PHE A 19 3.422 2.793 -4.723 1.00 0.00 C ATOM 254 CE2 PHE A 19 5.694 2.100 -4.453 1.00 0.00 C ATOM 255 CZ PHE A 19 4.765 2.963 -4.998 1.00 0.00 C ATOM 0 H PHE A 19 2.602 -2.297 -1.332 1.00 0.00 H new ATOM 0 HA PHE A 19 2.181 -1.089 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.721 0.140 -1.771 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.326 -0.559 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.961 1.634 -3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.009 0.397 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.693 3.466 -5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.744 2.230 -4.668 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.088 3.770 -5.639 1.00 0.00 H new ATOM 265 N SER A 20 3.969 -3.454 -4.067 1.00 0.00 N ATOM 266 CA SER A 20 4.979 -4.238 -4.769 1.00 0.00 C ATOM 267 C SER A 20 4.326 -5.268 -5.686 1.00 0.00 C ATOM 268 O SER A 20 4.790 -5.506 -6.802 1.00 0.00 O ATOM 269 CB SER A 20 5.897 -4.941 -3.767 1.00 0.00 C ATOM 270 OG SER A 20 7.013 -4.130 -3.443 1.00 0.00 O ATOM 0 H SER A 20 3.216 -4.007 -3.657 1.00 0.00 H new ATOM 0 HA SER A 20 5.572 -3.557 -5.379 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.339 -5.176 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.240 -5.887 -4.185 1.00 0.00 H new ATOM 0 HG SER A 20 7.784 -4.700 -3.240 1.00 0.00 H new ATOM 276 N CYS A 21 3.246 -5.876 -5.208 1.00 0.00 N ATOM 277 CA CYS A 21 2.527 -6.881 -5.983 1.00 0.00 C ATOM 278 C CYS A 21 1.057 -6.502 -6.135 1.00 0.00 C ATOM 279 O CYS A 21 0.302 -7.173 -6.837 1.00 0.00 O ATOM 280 CB CYS A 21 2.645 -8.252 -5.314 1.00 0.00 C ATOM 281 SG CYS A 21 2.324 -8.234 -3.521 1.00 0.00 S ATOM 0 H CYS A 21 2.849 -5.690 -4.287 1.00 0.00 H new ATOM 0 HA CYS A 21 2.976 -6.928 -6.975 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.945 -8.939 -5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.647 -8.645 -5.489 1.00 0.00 H new ATOM 286 N ASN A 22 0.659 -5.420 -5.473 1.00 0.00 N ATOM 287 CA ASN A 22 -0.721 -4.952 -5.534 1.00 0.00 C ATOM 288 C ASN A 22 -1.671 -5.978 -4.924 1.00 0.00 C ATOM 289 O ASN A 22 -2.855 -6.020 -5.260 1.00 0.00 O ATOM 290 CB ASN A 22 -1.121 -4.666 -6.982 1.00 0.00 C ATOM 291 CG ASN A 22 -0.856 -3.228 -7.383 1.00 0.00 C ATOM 292 OD1 ASN A 22 0.086 -2.600 -6.898 1.00 0.00 O ATOM 293 ND2 ASN A 22 -1.687 -2.699 -8.273 1.00 0.00 N ATOM 0 H ASN A 22 1.272 -4.851 -4.889 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.792 -4.030 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.571 -5.333 -7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.180 -4.888 -7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.558 -1.735 -8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.454 -3.256 -8.649 1.00 0.00 H new ATOM 300 N LYS A 23 -1.145 -6.803 -4.026 1.00 0.00 N ATOM 301 CA LYS A 23 -1.946 -7.829 -3.367 1.00 0.00 C ATOM 302 C LYS A 23 -2.746 -7.235 -2.212 1.00 0.00 C ATOM 303 O LYS A 23 -2.187 -6.870 -1.178 1.00 0.00 O ATOM 304 CB LYS A 23 -1.046 -8.955 -2.853 1.00 0.00 C ATOM 305 CG LYS A 23 -1.611 -9.680 -1.644 1.00 0.00 C ATOM 306 CD LYS A 23 -0.963 -11.042 -1.458 1.00 0.00 C ATOM 307 CE LYS A 23 -0.873 -11.420 0.013 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.934 -12.895 0.211 1.00 0.00 N ATOM 0 H LYS A 23 -0.167 -6.782 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.644 -8.236 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.885 -9.675 -3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.071 -8.541 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.454 -9.076 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.688 -9.801 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.539 -11.796 -1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.036 -11.034 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.058 -11.036 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.688 -10.946 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.870 -13.112 1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.833 -13.259 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.142 -13.346 -0.290 1.00 0.00 H new ATOM 322 N LYS A 24 -4.059 -7.143 -2.394 1.00 0.00 N ATOM 323 CA LYS A 24 -4.938 -6.597 -1.367 1.00 0.00 C ATOM 324 C LYS A 24 -4.546 -7.112 0.014 1.00 0.00 C ATOM 325 O LYS A 24 -4.738 -8.287 0.328 1.00 0.00 O ATOM 326 CB LYS A 24 -6.394 -6.963 -1.665 1.00 0.00 C ATOM 327 CG LYS A 24 -6.708 -8.433 -1.449 1.00 0.00 C ATOM 328 CD LYS A 24 -8.012 -8.829 -2.121 1.00 0.00 C ATOM 329 CE LYS A 24 -8.319 -10.305 -1.916 1.00 0.00 C ATOM 330 NZ LYS A 24 -9.510 -10.738 -2.698 1.00 0.00 N ATOM 0 H LYS A 24 -4.538 -7.440 -3.244 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.834 -5.512 -1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.048 -6.364 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.622 -6.699 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.895 -9.042 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.771 -8.639 -0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.827 -8.227 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.953 -8.613 -3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.455 -10.900 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.491 -10.496 -0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.686 -11.749 -2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.340 -10.188 -2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.337 -10.579 -3.711 1.00 0.00 H new ATOM 344 N VAL A 25 -3.997 -6.225 0.838 1.00 0.00 N ATOM 345 CA VAL A 25 -3.580 -6.589 2.187 1.00 0.00 C ATOM 346 C VAL A 25 -4.677 -6.285 3.201 1.00 0.00 C ATOM 347 O VAL A 25 -4.422 -6.209 4.403 1.00 0.00 O ATOM 348 CB VAL A 25 -2.295 -5.846 2.598 1.00 0.00 C ATOM 349 CG1 VAL A 25 -1.104 -6.360 1.804 1.00 0.00 C ATOM 350 CG2 VAL A 25 -2.465 -4.346 2.409 1.00 0.00 C ATOM 0 H VAL A 25 -3.831 -5.249 0.595 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.383 -7.661 2.179 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.106 -6.038 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.205 -5.823 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.972 -7.425 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.280 -6.200 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.548 -3.836 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.678 -4.133 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.291 -3.993 3.026 1.00 0.00 H new ATOM 360 N GLY A 26 -5.900 -6.113 2.709 1.00 0.00 N ATOM 361 CA GLY A 26 -7.018 -5.819 3.587 1.00 0.00 C ATOM 362 C GLY A 26 -6.644 -4.865 4.703 1.00 0.00 C ATOM 363 O GLY A 26 -5.940 -3.881 4.479 1.00 0.00 O ATOM 0 H GLY A 26 -6.137 -6.172 1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.831 -5.389 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.392 -6.748 4.018 1.00 0.00 H new ATOM 367 N VAL A 27 -7.117 -5.156 5.911 1.00 0.00 N ATOM 368 CA VAL A 27 -6.829 -4.316 7.068 1.00 0.00 C ATOM 369 C VAL A 27 -5.689 -4.896 7.898 1.00 0.00 C ATOM 370 O VAL A 27 -5.601 -4.657 9.102 1.00 0.00 O ATOM 371 CB VAL A 27 -8.070 -4.150 7.965 1.00 0.00 C ATOM 372 CG1 VAL A 27 -9.223 -3.548 7.175 1.00 0.00 C ATOM 373 CG2 VAL A 27 -8.469 -5.486 8.573 1.00 0.00 C ATOM 0 H VAL A 27 -7.701 -5.967 6.114 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.535 -3.339 6.684 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.822 -3.467 8.777 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.091 -3.438 7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.930 -2.570 6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.475 -4.204 6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.347 -5.351 9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.700 -6.194 7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.646 -5.872 9.175 1.00 0.00 H new ATOM 383 N MET A 28 -4.819 -5.660 7.245 1.00 0.00 N ATOM 384 CA MET A 28 -3.683 -6.273 7.924 1.00 0.00 C ATOM 385 C MET A 28 -2.397 -6.064 7.129 1.00 0.00 C ATOM 386 O MET A 28 -1.558 -6.959 7.042 1.00 0.00 O ATOM 387 CB MET A 28 -3.931 -7.769 8.129 1.00 0.00 C ATOM 388 CG MET A 28 -5.142 -8.070 8.997 1.00 0.00 C ATOM 389 SD MET A 28 -5.613 -9.810 8.952 1.00 0.00 S ATOM 390 CE MET A 28 -7.294 -9.721 9.564 1.00 0.00 C ATOM 0 H MET A 28 -4.879 -5.869 6.248 1.00 0.00 H new ATOM 0 HA MET A 28 -3.571 -5.793 8.896 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.064 -8.244 7.157 1.00 0.00 H new ATOM 0 HB3 MET A 28 -3.047 -8.217 8.584 1.00 0.00 H new ATOM 0 HG2 MET A 28 -4.927 -7.782 10.026 1.00 0.00 H new ATOM 0 HG3 MET A 28 -5.983 -7.461 8.665 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.724 -10.722 9.595 1.00 0.00 H new ATOM 0 HE2 MET A 28 -7.294 -9.295 10.567 1.00 0.00 H new ATOM 0 HE3 MET A 28 -7.889 -9.091 8.903 1.00 0.00 H new ATOM 400 N GLY A 29 -2.251 -4.875 6.551 1.00 0.00 N ATOM 401 CA GLY A 29 -1.066 -4.571 5.771 1.00 0.00 C ATOM 402 C GLY A 29 0.007 -3.882 6.591 1.00 0.00 C ATOM 403 O GLY A 29 -0.246 -3.441 7.712 1.00 0.00 O ATOM 0 H GLY A 29 -2.932 -4.118 6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.663 -5.494 5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.342 -3.934 4.930 1.00 0.00 H new ATOM 407 N PHE A 30 1.209 -3.791 6.033 1.00 0.00 N ATOM 408 CA PHE A 30 2.326 -3.153 6.721 1.00 0.00 C ATOM 409 C PHE A 30 2.593 -1.763 6.152 1.00 0.00 C ATOM 410 O PHE A 30 3.220 -1.619 5.102 1.00 0.00 O ATOM 411 CB PHE A 30 3.584 -4.015 6.604 1.00 0.00 C ATOM 412 CG PHE A 30 3.680 -5.083 7.656 1.00 0.00 C ATOM 413 CD1 PHE A 30 3.140 -6.340 7.436 1.00 0.00 C ATOM 414 CD2 PHE A 30 4.309 -4.830 8.864 1.00 0.00 C ATOM 415 CE1 PHE A 30 3.226 -7.325 8.402 1.00 0.00 C ATOM 416 CE2 PHE A 30 4.399 -5.811 9.833 1.00 0.00 C ATOM 417 CZ PHE A 30 3.856 -7.060 9.603 1.00 0.00 C ATOM 0 H PHE A 30 1.435 -4.151 5.106 1.00 0.00 H new ATOM 0 HA PHE A 30 2.061 -3.050 7.773 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.604 -4.483 5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.462 -3.373 6.669 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.646 -6.553 6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.734 -3.855 9.051 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.801 -8.301 8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.894 -5.601 10.770 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.924 -7.827 10.360 1.00 0.00 H new ATOM 427 N LYS A 31 2.113 -0.741 6.852 1.00 0.00 N ATOM 428 CA LYS A 31 2.299 0.639 6.419 1.00 0.00 C ATOM 429 C LYS A 31 3.692 1.140 6.785 1.00 0.00 C ATOM 430 O LYS A 31 4.070 1.156 7.957 1.00 0.00 O ATOM 431 CB LYS A 31 1.238 1.541 7.053 1.00 0.00 C ATOM 432 CG LYS A 31 1.440 3.017 6.758 1.00 0.00 C ATOM 433 CD LYS A 31 0.119 3.767 6.732 1.00 0.00 C ATOM 434 CE LYS A 31 -0.485 3.783 5.336 1.00 0.00 C ATOM 435 NZ LYS A 31 -1.726 4.605 5.278 1.00 0.00 N ATOM 0 H LYS A 31 1.592 -0.842 7.723 1.00 0.00 H new ATOM 0 HA LYS A 31 2.194 0.671 5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.254 1.239 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.243 1.391 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.093 3.454 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.943 3.131 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.579 3.300 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.273 4.790 7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.245 4.177 4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.710 2.763 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.107 4.591 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.432 4.214 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.506 5.585 5.549 1.00 0.00 H new ATOM 449 N CYS A 32 4.452 1.551 5.775 1.00 0.00 N ATOM 450 CA CYS A 32 5.803 2.054 5.989 1.00 0.00 C ATOM 451 C CYS A 32 5.781 3.540 6.337 1.00 0.00 C ATOM 452 O CYS A 32 4.838 4.255 5.998 1.00 0.00 O ATOM 453 CB CYS A 32 6.660 1.823 4.743 1.00 0.00 C ATOM 454 SG CYS A 32 8.319 2.570 4.832 1.00 0.00 S ATOM 0 H CYS A 32 4.154 1.545 4.799 1.00 0.00 H new ATOM 0 HA CYS A 32 6.238 1.509 6.826 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.765 0.750 4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.138 2.227 3.876 1.00 0.00 H new ATOM 459 N LYS A 33 6.828 3.999 7.015 1.00 0.00 N ATOM 460 CA LYS A 33 6.932 5.399 7.407 1.00 0.00 C ATOM 461 C LYS A 33 6.731 6.317 6.206 1.00 0.00 C ATOM 462 O LYS A 33 6.237 7.437 6.344 1.00 0.00 O ATOM 463 CB LYS A 33 8.295 5.671 8.048 1.00 0.00 C ATOM 464 CG LYS A 33 8.595 4.779 9.241 1.00 0.00 C ATOM 465 CD LYS A 33 8.118 5.407 10.540 1.00 0.00 C ATOM 466 CE LYS A 33 6.685 5.008 10.859 1.00 0.00 C ATOM 467 NZ LYS A 33 6.498 3.532 10.817 1.00 0.00 N ATOM 0 H LYS A 33 7.617 3.421 7.304 1.00 0.00 H new ATOM 0 HA LYS A 33 6.147 5.605 8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.074 5.534 7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.337 6.713 8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.111 3.812 9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.668 4.594 9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.772 5.100 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.187 6.492 10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.416 5.380 11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.009 5.480 10.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.761 3.256 11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.211 3.246 9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.392 3.062 11.065 1.00 0.00 H new ATOM 481 N CYS A 34 7.116 5.837 5.029 1.00 0.00 N ATOM 482 CA CYS A 34 6.977 6.613 3.803 1.00 0.00 C ATOM 483 C CYS A 34 5.508 6.895 3.500 1.00 0.00 C ATOM 484 O CYS A 34 5.157 7.973 3.024 1.00 0.00 O ATOM 485 CB CYS A 34 7.618 5.871 2.629 1.00 0.00 C ATOM 486 SG CYS A 34 6.904 4.225 2.311 1.00 0.00 S ATOM 0 H CYS A 34 7.527 4.913 4.898 1.00 0.00 H new ATOM 0 HA CYS A 34 7.489 7.565 3.946 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.517 6.479 1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.685 5.761 2.821 1.00 0.00 H new ATOM 491 N GLY A 35 4.654 5.916 3.781 1.00 0.00 N ATOM 492 CA GLY A 35 3.233 6.077 3.533 1.00 0.00 C ATOM 493 C GLY A 35 2.716 5.117 2.481 1.00 0.00 C ATOM 494 O GLY A 35 1.776 5.433 1.750 1.00 0.00 O ATOM 0 H GLY A 35 4.921 5.014 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.685 5.922 4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.037 7.101 3.214 1.00 0.00 H new ATOM 498 N SER A 36 3.331 3.941 2.400 1.00 0.00 N ATOM 499 CA SER A 36 2.930 2.934 1.425 1.00 0.00 C ATOM 500 C SER A 36 2.463 1.660 2.122 1.00 0.00 C ATOM 501 O SER A 36 2.896 1.349 3.232 1.00 0.00 O ATOM 502 CB SER A 36 4.092 2.616 0.482 1.00 0.00 C ATOM 503 OG SER A 36 4.721 3.803 0.030 1.00 0.00 O ATOM 0 H SER A 36 4.109 3.663 2.998 1.00 0.00 H new ATOM 0 HA SER A 36 2.100 3.336 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.820 1.988 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.726 2.047 -0.372 1.00 0.00 H new ATOM 0 HG SER A 36 5.432 4.055 0.656 1.00 0.00 H new ATOM 509 N THR A 37 1.574 0.923 1.461 1.00 0.00 N ATOM 510 CA THR A 37 1.046 -0.317 2.016 1.00 0.00 C ATOM 511 C THR A 37 1.709 -1.531 1.376 1.00 0.00 C ATOM 512 O THR A 37 1.962 -1.550 0.172 1.00 0.00 O ATOM 513 CB THR A 37 -0.479 -0.415 1.819 1.00 0.00 C ATOM 514 OG1 THR A 37 -1.109 0.790 2.265 1.00 0.00 O ATOM 515 CG2 THR A 37 -1.047 -1.603 2.581 1.00 0.00 C ATOM 0 H THR A 37 1.205 1.164 0.541 1.00 0.00 H new ATOM 0 HA THR A 37 1.267 -0.306 3.083 1.00 0.00 H new ATOM 0 HB THR A 37 -0.678 -0.556 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.998 0.864 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.125 -1.652 2.427 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.586 -2.522 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.837 -1.487 3.644 1.00 0.00 H new ATOM 523 N PHE A 38 1.987 -2.544 2.190 1.00 0.00 N ATOM 524 CA PHE A 38 2.622 -3.764 1.703 1.00 0.00 C ATOM 525 C PHE A 38 1.996 -4.997 2.348 1.00 0.00 C ATOM 526 O PHE A 38 1.287 -4.896 3.350 1.00 0.00 O ATOM 527 CB PHE A 38 4.124 -3.731 1.989 1.00 0.00 C ATOM 528 CG PHE A 38 4.794 -2.466 1.533 1.00 0.00 C ATOM 529 CD1 PHE A 38 5.238 -2.334 0.227 1.00 0.00 C ATOM 530 CD2 PHE A 38 4.980 -1.410 2.410 1.00 0.00 C ATOM 531 CE1 PHE A 38 5.854 -1.171 -0.196 1.00 0.00 C ATOM 532 CE2 PHE A 38 5.595 -0.245 1.993 1.00 0.00 C ATOM 533 CZ PHE A 38 6.034 -0.126 0.689 1.00 0.00 C ATOM 0 H PHE A 38 1.783 -2.545 3.189 1.00 0.00 H new ATOM 0 HA PHE A 38 2.466 -3.821 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.284 -3.852 3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.598 -4.581 1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.101 -3.149 -0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.640 -1.498 3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.194 -1.080 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.732 0.572 2.686 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.517 0.783 0.362 1.00 0.00 H new ATOM 543 N CYS A 39 2.264 -6.162 1.767 1.00 0.00 N ATOM 544 CA CYS A 39 1.728 -7.415 2.283 1.00 0.00 C ATOM 545 C CYS A 39 2.764 -8.138 3.139 1.00 0.00 C ATOM 546 O CYS A 39 2.859 -9.365 3.114 1.00 0.00 O ATOM 547 CB CYS A 39 1.285 -8.317 1.129 1.00 0.00 C ATOM 548 SG CYS A 39 2.651 -9.194 0.303 1.00 0.00 S ATOM 0 H CYS A 39 2.850 -6.264 0.938 1.00 0.00 H new ATOM 0 HA CYS A 39 0.865 -7.183 2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.573 -9.050 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.757 -7.712 0.392 1.00 0.00 H new ATOM 553 N GLY A 40 3.539 -7.368 3.897 1.00 0.00 N ATOM 554 CA GLY A 40 4.557 -7.952 4.751 1.00 0.00 C ATOM 555 C GLY A 40 5.806 -8.337 3.983 1.00 0.00 C ATOM 556 O GLY A 40 6.919 -7.992 4.382 1.00 0.00 O ATOM 0 H GLY A 40 3.480 -6.350 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.820 -7.242 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.151 -8.835 5.244 1.00 0.00 H new ATOM 560 N SER A 41 5.623 -9.054 2.879 1.00 0.00 N ATOM 561 CA SER A 41 6.745 -9.491 2.057 1.00 0.00 C ATOM 562 C SER A 41 7.436 -8.298 1.403 1.00 0.00 C ATOM 563 O SER A 41 8.609 -8.401 1.048 1.00 0.00 O ATOM 564 CB SER A 41 6.267 -10.469 0.982 1.00 0.00 C ATOM 565 OG SER A 41 6.027 -11.753 1.532 1.00 0.00 O ATOM 0 H SER A 41 4.708 -9.345 2.533 1.00 0.00 H new ATOM 0 HA SER A 41 7.463 -9.995 2.704 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.354 -10.091 0.521 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.016 -10.542 0.193 1.00 0.00 H new ATOM 0 HG SER A 41 5.721 -12.359 0.826 1.00 0.00 H new ATOM 571 N HIS A 42 6.702 -7.204 1.261 1.00 0.00 N ATOM 572 CA HIS A 42 7.255 -6.006 0.652 1.00 0.00 C ATOM 573 C HIS A 42 7.168 -4.842 1.640 1.00 0.00 C ATOM 574 O HIS A 42 7.145 -3.669 1.266 1.00 0.00 O ATOM 575 CB HIS A 42 6.564 -5.706 -0.680 1.00 0.00 C ATOM 576 CG HIS A 42 6.484 -6.892 -1.611 1.00 0.00 C ATOM 577 ND1 HIS A 42 5.299 -7.316 -2.185 1.00 0.00 N ATOM 578 CD2 HIS A 42 7.455 -7.737 -2.063 1.00 0.00 C ATOM 579 CE1 HIS A 42 5.555 -8.371 -2.945 1.00 0.00 C ATOM 580 NE2 HIS A 42 6.892 -8.631 -2.868 1.00 0.00 N ATOM 0 H HIS A 42 5.729 -7.122 1.557 1.00 0.00 H new ATOM 0 HA HIS A 42 8.309 -6.163 0.421 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.555 -5.345 -0.481 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.098 -4.899 -1.181 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.504 -7.687 -1.809 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.832 -8.927 -3.524 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.379 -9.387 -3.349 1.00 0.00 H new ATOM 588 N ARG A 43 7.121 -5.194 2.921 1.00 0.00 N ATOM 589 CA ARG A 43 7.036 -4.200 3.984 1.00 0.00 C ATOM 590 C ARG A 43 8.377 -3.500 4.183 1.00 0.00 C ATOM 591 O ARG A 43 8.443 -2.417 4.765 1.00 0.00 O ATOM 592 CB ARG A 43 6.593 -4.858 5.292 1.00 0.00 C ATOM 593 CG ARG A 43 7.679 -5.694 5.951 1.00 0.00 C ATOM 594 CD ARG A 43 7.118 -6.545 7.080 1.00 0.00 C ATOM 595 NE ARG A 43 8.160 -6.978 8.007 1.00 0.00 N ATOM 596 CZ ARG A 43 8.845 -6.146 8.784 1.00 0.00 C ATOM 597 NH1 ARG A 43 8.600 -4.844 8.745 1.00 0.00 N ATOM 598 NH2 ARG A 43 9.778 -6.617 9.602 1.00 0.00 N ATOM 0 H ARG A 43 7.140 -6.160 3.248 1.00 0.00 H new ATOM 0 HA ARG A 43 6.297 -3.454 3.691 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.270 -4.083 5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.728 -5.491 5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.147 -6.338 5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.458 -5.039 6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.363 -5.976 7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.618 -7.419 6.662 1.00 0.00 H new ATOM 0 HE ARG A 43 8.374 -7.974 8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.884 -4.478 8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.127 -4.208 9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.970 -7.618 9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.304 -5.978 10.198 1.00 0.00 H new ATOM 612 N TYR A 44 9.443 -4.125 3.695 1.00 0.00 N ATOM 613 CA TYR A 44 10.782 -3.564 3.821 1.00 0.00 C ATOM 614 C TYR A 44 10.983 -2.409 2.846 1.00 0.00 C ATOM 615 O TYR A 44 10.421 -2.382 1.751 1.00 0.00 O ATOM 616 CB TYR A 44 11.836 -4.645 3.573 1.00 0.00 C ATOM 617 CG TYR A 44 11.617 -5.902 4.384 1.00 0.00 C ATOM 618 CD1 TYR A 44 10.743 -6.891 3.947 1.00 0.00 C ATOM 619 CD2 TYR A 44 12.284 -6.102 5.586 1.00 0.00 C ATOM 620 CE1 TYR A 44 10.540 -8.040 4.686 1.00 0.00 C ATOM 621 CE2 TYR A 44 12.088 -7.249 6.330 1.00 0.00 C ATOM 622 CZ TYR A 44 11.214 -8.215 5.876 1.00 0.00 C ATOM 623 OH TYR A 44 11.015 -9.360 6.613 1.00 0.00 O ATOM 0 H TYR A 44 9.405 -5.021 3.208 1.00 0.00 H new ATOM 0 HA TYR A 44 10.894 -3.182 4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.838 -4.902 2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.821 -4.240 3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.214 -6.759 3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.968 -5.347 5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.856 -8.798 4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.616 -7.389 7.262 1.00 0.00 H new ATOM 0 HH TYR A 44 11.566 -9.327 7.423 1.00 0.00 H new ATOM 633 N PRO A 45 11.806 -1.430 3.251 1.00 0.00 N ATOM 634 CA PRO A 45 12.102 -0.253 2.429 1.00 0.00 C ATOM 635 C PRO A 45 12.952 -0.597 1.210 1.00 0.00 C ATOM 636 O PRO A 45 12.850 0.050 0.169 1.00 0.00 O ATOM 637 CB PRO A 45 12.877 0.660 3.382 1.00 0.00 C ATOM 638 CG PRO A 45 13.485 -0.263 4.380 1.00 0.00 C ATOM 639 CD PRO A 45 12.510 -1.396 4.544 1.00 0.00 C ATOM 0 HA PRO A 45 11.197 0.201 2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.641 1.229 2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.217 1.383 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.453 -0.628 4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 45 13.655 0.246 5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.019 -2.338 4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.823 -1.218 5.371 1.00 0.00 H new ATOM 647 N GLU A 46 13.791 -1.619 1.349 1.00 0.00 N ATOM 648 CA GLU A 46 14.659 -2.047 0.259 1.00 0.00 C ATOM 649 C GLU A 46 13.856 -2.748 -0.833 1.00 0.00 C ATOM 650 O GLU A 46 14.309 -2.872 -1.971 1.00 0.00 O ATOM 651 CB GLU A 46 15.750 -2.982 0.783 1.00 0.00 C ATOM 652 CG GLU A 46 15.209 -4.210 1.496 1.00 0.00 C ATOM 653 CD GLU A 46 16.280 -4.957 2.267 1.00 0.00 C ATOM 654 OE1 GLU A 46 17.210 -4.300 2.780 1.00 0.00 O ATOM 655 OE2 GLU A 46 16.188 -6.199 2.358 1.00 0.00 O ATOM 0 H GLU A 46 13.888 -2.165 2.205 1.00 0.00 H new ATOM 0 HA GLU A 46 15.125 -1.160 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.374 -3.302 -0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.393 -2.429 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.417 -3.908 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.759 -4.881 0.765 1.00 0.00 H new ATOM 662 N LYS A 47 12.659 -3.205 -0.479 1.00 0.00 N ATOM 663 CA LYS A 47 11.791 -3.893 -1.426 1.00 0.00 C ATOM 664 C LYS A 47 10.716 -2.952 -1.962 1.00 0.00 C ATOM 665 O LYS A 47 9.694 -3.425 -2.456 1.00 0.00 O ATOM 666 CB LYS A 47 11.136 -5.106 -0.762 1.00 0.00 C ATOM 667 CG LYS A 47 12.133 -6.095 -0.184 1.00 0.00 C ATOM 668 CD LYS A 47 12.859 -6.859 -1.279 1.00 0.00 C ATOM 669 CE LYS A 47 14.235 -7.317 -0.820 1.00 0.00 C ATOM 670 NZ LYS A 47 14.149 -8.311 0.286 1.00 0.00 N ATOM 0 H LYS A 47 12.268 -3.111 0.458 1.00 0.00 H new ATOM 0 HA LYS A 47 12.404 -4.231 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.476 -4.762 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.512 -5.618 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.858 -5.564 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.614 -6.797 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.266 -7.724 -1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.960 -6.226 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.771 -7.756 -1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.813 -6.454 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.106 -8.623 0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.690 -7.874 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.591 -9.131 -0.027 1.00 0.00 H new ATOM 684 N HIS A 48 10.968 -1.655 -1.855 1.00 0.00 N ATOM 685 CA HIS A 48 10.016 -0.667 -2.333 1.00 0.00 C ATOM 686 C HIS A 48 10.644 0.727 -2.259 1.00 0.00 C ATOM 687 O HIS A 48 11.257 1.114 -1.265 1.00 0.00 O ATOM 688 CB HIS A 48 8.698 -0.765 -1.563 1.00 0.00 C ATOM 689 CG HIS A 48 8.722 -0.084 -0.215 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.648 -0.780 0.979 1.00 0.00 N ATOM 691 CD2 HIS A 48 8.813 1.237 0.115 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.693 0.092 1.975 1.00 0.00 C ATOM 693 NE2 HIS A 48 8.794 1.341 1.438 1.00 0.00 N ATOM 0 H HIS A 48 11.817 -1.266 -1.445 1.00 0.00 H new ATOM 0 HA HIS A 48 9.774 -0.865 -3.377 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.903 -0.326 -2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.448 -1.817 -1.423 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.572 -1.793 1.076 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.888 2.058 -0.582 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.656 -0.145 3.028 1.00 0.00 H new ATOM 701 N GLU A 49 10.474 1.477 -3.344 1.00 0.00 N ATOM 702 CA GLU A 49 11.014 2.829 -3.428 1.00 0.00 C ATOM 703 C GLU A 49 10.653 3.637 -2.185 1.00 0.00 C ATOM 704 O GLU A 49 9.637 4.332 -2.155 1.00 0.00 O ATOM 705 CB GLU A 49 10.487 3.535 -4.679 1.00 0.00 C ATOM 706 CG GLU A 49 10.811 2.806 -5.972 1.00 0.00 C ATOM 707 CD GLU A 49 9.797 1.728 -6.303 1.00 0.00 C ATOM 708 OE1 GLU A 49 8.663 1.800 -5.787 1.00 0.00 O ATOM 709 OE2 GLU A 49 10.139 0.812 -7.081 1.00 0.00 O ATOM 0 H GLU A 49 9.968 1.172 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 49 12.100 2.756 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.406 3.645 -4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.907 4.540 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.851 3.525 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.801 2.357 -5.893 1.00 0.00 H new ATOM 716 N CYS A 50 11.493 3.541 -1.160 1.00 0.00 N ATOM 717 CA CYS A 50 11.265 4.261 0.087 1.00 0.00 C ATOM 718 C CYS A 50 12.088 5.545 0.132 1.00 0.00 C ATOM 719 O CYS A 50 13.308 5.508 0.287 1.00 0.00 O ATOM 720 CB CYS A 50 11.616 3.375 1.284 1.00 0.00 C ATOM 721 SG CYS A 50 10.930 3.958 2.868 1.00 0.00 S ATOM 0 H CYS A 50 12.339 2.971 -1.169 1.00 0.00 H new ATOM 0 HA CYS A 50 10.209 4.525 0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.254 2.365 1.093 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.701 3.313 1.371 1.00 0.00 H new ATOM 726 N SER A 51 11.410 6.681 -0.003 1.00 0.00 N ATOM 727 CA SER A 51 12.078 7.977 0.018 1.00 0.00 C ATOM 728 C SER A 51 12.085 8.561 1.428 1.00 0.00 C ATOM 729 O SER A 51 12.008 9.776 1.609 1.00 0.00 O ATOM 730 CB SER A 51 11.389 8.946 -0.944 1.00 0.00 C ATOM 731 OG SER A 51 10.015 9.086 -0.630 1.00 0.00 O ATOM 0 H SER A 51 10.399 6.730 -0.128 1.00 0.00 H new ATOM 0 HA SER A 51 13.110 7.832 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.877 9.919 -0.896 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.496 8.586 -1.967 1.00 0.00 H new ATOM 0 HG SER A 51 9.598 9.712 -1.258 1.00 0.00 H new ATOM 737 N PHE A 52 12.178 7.686 2.424 1.00 0.00 N ATOM 738 CA PHE A 52 12.194 8.114 3.818 1.00 0.00 C ATOM 739 C PHE A 52 13.624 8.318 4.308 1.00 0.00 C ATOM 740 O PHE A 52 14.554 7.665 3.833 1.00 0.00 O ATOM 741 CB PHE A 52 11.483 7.083 4.697 1.00 0.00 C ATOM 742 CG PHE A 52 11.150 7.594 6.070 1.00 0.00 C ATOM 743 CD1 PHE A 52 12.098 7.575 7.080 1.00 0.00 C ATOM 744 CD2 PHE A 52 9.888 8.092 6.350 1.00 0.00 C ATOM 745 CE1 PHE A 52 11.795 8.045 8.344 1.00 0.00 C ATOM 746 CE2 PHE A 52 9.579 8.563 7.612 1.00 0.00 C ATOM 747 CZ PHE A 52 10.533 8.539 8.610 1.00 0.00 C ATOM 0 H PHE A 52 12.243 6.677 2.292 1.00 0.00 H new ATOM 0 HA PHE A 52 11.667 9.066 3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.564 6.768 4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 52 12.114 6.199 4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.086 7.188 6.877 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.137 8.112 5.574 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.544 8.026 9.122 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.592 8.950 7.818 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.293 8.906 9.597 1.00 0.00 H new ATOM 757 N ASP A 53 13.792 9.228 5.260 1.00 0.00 N ATOM 758 CA ASP A 53 15.109 9.519 5.816 1.00 0.00 C ATOM 759 C ASP A 53 15.265 8.894 7.199 1.00 0.00 C ATOM 760 O ASP A 53 15.324 9.599 8.207 1.00 0.00 O ATOM 761 CB ASP A 53 15.329 11.030 5.898 1.00 0.00 C ATOM 762 CG ASP A 53 14.514 11.675 7.002 1.00 0.00 C ATOM 763 OD1 ASP A 53 13.298 11.404 7.078 1.00 0.00 O ATOM 764 OD2 ASP A 53 15.093 12.452 7.790 1.00 0.00 O ATOM 0 H ASP A 53 13.033 9.777 5.663 1.00 0.00 H new ATOM 0 HA ASP A 53 15.859 9.086 5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.387 11.232 6.066 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.066 11.485 4.943 1.00 0.00 H new ATOM 769 N PHE A 54 15.329 7.568 7.240 1.00 0.00 N ATOM 770 CA PHE A 54 15.476 6.848 8.500 1.00 0.00 C ATOM 771 C PHE A 54 16.756 7.264 9.218 1.00 0.00 C ATOM 772 O PHE A 54 16.768 7.443 10.436 1.00 0.00 O ATOM 773 CB PHE A 54 15.486 5.338 8.250 1.00 0.00 C ATOM 774 CG PHE A 54 14.291 4.850 7.482 1.00 0.00 C ATOM 775 CD1 PHE A 54 13.065 4.691 8.108 1.00 0.00 C ATOM 776 CD2 PHE A 54 14.394 4.549 6.133 1.00 0.00 C ATOM 777 CE1 PHE A 54 11.965 4.241 7.403 1.00 0.00 C ATOM 778 CE2 PHE A 54 13.297 4.099 5.423 1.00 0.00 C ATOM 779 CZ PHE A 54 12.080 3.946 6.059 1.00 0.00 C ATOM 0 H PHE A 54 15.281 6.970 6.415 1.00 0.00 H new ATOM 0 HA PHE A 54 14.626 7.099 9.135 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.392 5.074 7.704 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.529 4.819 9.208 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.968 4.921 9.159 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.343 4.668 5.631 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.015 4.120 7.903 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.391 3.867 4.372 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.221 3.596 5.506 1.00 0.00 H new ATOM 789 N LYS A 55 17.833 7.416 8.455 1.00 0.00 N ATOM 790 CA LYS A 55 19.119 7.812 9.016 1.00 0.00 C ATOM 791 C LYS A 55 19.436 9.266 8.679 1.00 0.00 C ATOM 792 O LYS A 55 19.639 9.612 7.516 1.00 0.00 O ATOM 793 CB LYS A 55 20.231 6.902 8.489 1.00 0.00 C ATOM 794 CG LYS A 55 20.391 6.948 6.979 1.00 0.00 C ATOM 795 CD LYS A 55 21.057 5.690 6.450 1.00 0.00 C ATOM 796 CE LYS A 55 21.165 5.712 4.933 1.00 0.00 C ATOM 797 NZ LYS A 55 22.233 6.639 4.466 1.00 0.00 N ATOM 0 H LYS A 55 17.841 7.271 7.445 1.00 0.00 H new ATOM 0 HA LYS A 55 19.059 7.713 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 55 21.174 7.188 8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.024 5.876 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 55 19.413 7.067 6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 55 20.985 7.819 6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 55 22.052 5.593 6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 55 20.486 4.816 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 55 21.373 4.706 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.209 6.014 4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.275 6.625 3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 22.022 7.604 4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 23.149 6.336 4.853 1.00 0.00 H new ATOM 811 N GLU A 56 19.477 10.111 9.704 1.00 0.00 N ATOM 812 CA GLU A 56 19.770 11.527 9.515 1.00 0.00 C ATOM 813 C GLU A 56 21.270 11.755 9.355 1.00 0.00 C ATOM 814 O GLU A 56 21.987 11.955 10.335 1.00 0.00 O ATOM 815 CB GLU A 56 19.242 12.342 10.697 1.00 0.00 C ATOM 816 CG GLU A 56 19.623 13.812 10.642 1.00 0.00 C ATOM 817 CD GLU A 56 19.087 14.508 9.406 1.00 0.00 C ATOM 818 OE1 GLU A 56 17.867 14.767 9.355 1.00 0.00 O ATOM 819 OE2 GLU A 56 19.887 14.792 8.490 1.00 0.00 O ATOM 0 H GLU A 56 19.311 9.840 10.673 1.00 0.00 H new ATOM 0 HA GLU A 56 19.271 11.857 8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.156 12.258 10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.622 11.911 11.623 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.243 14.315 11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 56 20.709 13.903 10.663 1.00 0.00 H new ATOM 826 N VAL A 57 21.738 11.725 8.111 1.00 0.00 N ATOM 827 CA VAL A 57 23.152 11.929 7.821 1.00 0.00 C ATOM 828 C VAL A 57 23.445 13.394 7.516 1.00 0.00 C ATOM 829 O VAL A 57 23.287 13.847 6.384 1.00 0.00 O ATOM 830 CB VAL A 57 23.611 11.067 6.630 1.00 0.00 C ATOM 831 CG1 VAL A 57 25.078 11.321 6.320 1.00 0.00 C ATOM 832 CG2 VAL A 57 23.365 9.593 6.914 1.00 0.00 C ATOM 0 H VAL A 57 21.158 11.561 7.288 1.00 0.00 H new ATOM 0 HA VAL A 57 23.704 11.629 8.712 1.00 0.00 H new ATOM 0 HB VAL A 57 23.026 11.348 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 57 25.384 10.703 5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 57 25.220 12.372 6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 57 25.683 11.070 7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.695 8.998 6.062 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.923 9.296 7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.301 9.427 7.082 1.00 0.00 H new ATOM 842 N GLY A 58 23.873 14.131 8.537 1.00 0.00 N ATOM 843 CA GLY A 58 24.181 15.538 8.358 1.00 0.00 C ATOM 844 C GLY A 58 23.285 16.438 9.185 1.00 0.00 C ATOM 845 O GLY A 58 22.585 17.294 8.645 1.00 0.00 O ATOM 0 H GLY A 58 24.012 13.779 9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 58 25.221 15.716 8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 58 24.079 15.798 7.304 1.00 0.00 H new ATOM 849 N SER A 59 23.304 16.242 10.500 1.00 0.00 N ATOM 850 CA SER A 59 22.483 17.040 11.403 1.00 0.00 C ATOM 851 C SER A 59 23.190 18.338 11.778 1.00 0.00 C ATOM 852 O SER A 59 22.584 19.408 11.788 1.00 0.00 O ATOM 853 CB SER A 59 22.155 16.241 12.667 1.00 0.00 C ATOM 854 OG SER A 59 21.461 17.041 13.609 1.00 0.00 O ATOM 0 H SER A 59 23.879 15.538 10.963 1.00 0.00 H new ATOM 0 HA SER A 59 21.556 17.289 10.887 1.00 0.00 H new ATOM 0 HB2 SER A 59 21.550 15.373 12.406 1.00 0.00 H new ATOM 0 HB3 SER A 59 23.076 15.865 13.113 1.00 0.00 H new ATOM 0 HG SER A 59 21.261 16.508 14.407 1.00 0.00 H new ATOM 860 N GLY A 60 24.480 18.235 12.086 1.00 0.00 N ATOM 861 CA GLY A 60 25.250 19.407 12.457 1.00 0.00 C ATOM 862 C GLY A 60 25.454 20.359 11.295 1.00 0.00 C ATOM 863 O GLY A 60 24.980 20.126 10.183 1.00 0.00 O ATOM 0 H GLY A 60 25.005 17.360 12.085 1.00 0.00 H new ATOM 0 HA2 GLY A 60 24.741 19.931 13.267 1.00 0.00 H new ATOM 0 HA3 GLY A 60 26.221 19.093 12.840 1.00 0.00 H new ATOM 867 N PRO A 61 26.175 21.462 11.548 1.00 0.00 N ATOM 868 CA PRO A 61 26.456 22.475 10.527 1.00 0.00 C ATOM 869 C PRO A 61 27.421 21.970 9.460 1.00 0.00 C ATOM 870 O PRO A 61 28.629 21.903 9.684 1.00 0.00 O ATOM 871 CB PRO A 61 27.090 23.617 11.325 1.00 0.00 C ATOM 872 CG PRO A 61 27.677 22.959 12.525 1.00 0.00 C ATOM 873 CD PRO A 61 26.771 21.804 12.850 1.00 0.00 C ATOM 0 HA PRO A 61 25.557 22.765 9.983 1.00 0.00 H new ATOM 0 HB2 PRO A 61 27.854 24.131 10.742 1.00 0.00 H new ATOM 0 HB3 PRO A 61 26.347 24.364 11.606 1.00 0.00 H new ATOM 0 HG2 PRO A 61 28.691 22.614 12.324 1.00 0.00 H new ATOM 0 HG3 PRO A 61 27.737 23.655 13.362 1.00 0.00 H new ATOM 0 HD2 PRO A 61 27.325 20.965 13.271 1.00 0.00 H new ATOM 0 HD3 PRO A 61 26.010 22.083 13.579 1.00 0.00 H new ATOM 881 N SER A 62 26.880 21.618 8.298 1.00 0.00 N ATOM 882 CA SER A 62 27.694 21.116 7.197 1.00 0.00 C ATOM 883 C SER A 62 27.360 21.845 5.899 1.00 0.00 C ATOM 884 O SER A 62 26.210 21.861 5.461 1.00 0.00 O ATOM 885 CB SER A 62 27.478 19.611 7.020 1.00 0.00 C ATOM 886 OG SER A 62 27.781 18.909 8.213 1.00 0.00 O ATOM 0 H SER A 62 25.882 21.671 8.095 1.00 0.00 H new ATOM 0 HA SER A 62 28.741 21.300 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 62 26.444 19.420 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 62 28.106 19.243 6.208 1.00 0.00 H new ATOM 0 HG SER A 62 27.633 17.950 8.075 1.00 0.00 H new ATOM 892 N SER A 63 28.375 22.447 5.288 1.00 0.00 N ATOM 893 CA SER A 63 28.191 23.181 4.042 1.00 0.00 C ATOM 894 C SER A 63 28.218 22.236 2.845 1.00 0.00 C ATOM 895 O SER A 63 29.254 22.054 2.206 1.00 0.00 O ATOM 896 CB SER A 63 29.276 24.248 3.888 1.00 0.00 C ATOM 897 OG SER A 63 29.037 25.059 2.751 1.00 0.00 O ATOM 0 H SER A 63 29.334 22.441 5.636 1.00 0.00 H new ATOM 0 HA SER A 63 27.216 23.667 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 63 29.308 24.870 4.782 1.00 0.00 H new ATOM 0 HB3 SER A 63 30.251 23.769 3.798 1.00 0.00 H new ATOM 0 HG SER A 63 29.744 25.734 2.676 1.00 0.00 H new ATOM 903 N GLY A 64 27.070 21.635 2.547 1.00 0.00 N ATOM 904 CA GLY A 64 26.983 20.715 1.428 1.00 0.00 C ATOM 905 C GLY A 64 27.171 19.271 1.848 1.00 0.00 C ATOM 906 O GLY A 64 26.257 18.694 2.436 1.00 0.00 O ATOM 0 H GLY A 64 26.199 21.769 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 64 26.012 20.826 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.739 20.976 0.688 1.00 0.00 H new TER 910 GLY A 64 HETATM 911 ZN ZN A 200 3.468 -7.937 -1.504 1.00 0.00 ZN HETATM 912 ZN ZN A 400 8.825 3.011 2.589 1.00 0.00 ZN