USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 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 4 HIS : no HE2:sc= -3.79 K(o=-10,f=-15!) USER MOD Set 1.2: A 61 ASN : amide:sc= -4.77! C(o=-10!,f=-19!) USER MOD Set 1.3: A 62 ASN : amide:sc= -1.89 K(o=-10,f=-13!) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.968 K(o=-0.025,f=-6.9!) USER MOD Set 2.2: A 56 THR OG1 : rot 66:sc= 0.944 USER MOD Set 3.1: A 5 ASN : amide:sc= 0.975 K(o=1.7,f=-10!) USER MOD Set 3.2: A 6 GLN : amide:sc= -0.175 K(o=1.7,f=3.4) USER MOD Set 3.3: A 13 THR OG1 : rot 56:sc= 0.94 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.33) USER MOD Single : A 8 SER OG : rot -69:sc= 0.685 USER MOD Single : A 9 SER OG : rot -7:sc= 0.868 USER MOD Single : A 10 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.4) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 65:sc= -0.724 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00469 USER MOD Single : A 22 ASN : amide:sc= -0.0284 X(o=-0.028,f=-0.44) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 0.279 (180deg=0.195) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.0127 K(o=0.013,f=-1.8!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.34 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.444 13.914 0.900 1.00 0.00 N ATOM 2 CA LEU A 1 1.090 12.820 -0.042 1.00 0.00 C ATOM 3 C LEU A 1 -0.193 12.116 0.386 1.00 0.00 C ATOM 4 O LEU A 1 -0.340 11.723 1.543 1.00 0.00 O ATOM 5 CB LEU A 1 2.248 11.821 -0.088 1.00 0.00 C ATOM 6 CG LEU A 1 2.334 10.988 -1.369 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.467 11.482 -2.256 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.519 9.514 -1.036 1.00 0.00 C ATOM 0 H1 LEU A 1 2.321 14.375 0.583 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.675 14.614 0.924 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.584 13.520 1.852 1.00 0.00 H new ATOM 0 HA LEU A 1 0.918 13.244 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.184 12.366 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.158 11.144 0.762 1.00 0.00 H new ATOM 0 HG LEU A 1 1.398 11.103 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.511 10.876 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.291 12.524 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.412 11.400 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.578 8.937 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.439 9.382 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.673 9.166 -0.444 1.00 0.00 H new ATOM 22 N GLU A 2 -1.119 11.959 -0.555 1.00 0.00 N ATOM 23 CA GLU A 2 -2.389 11.299 -0.272 1.00 0.00 C ATOM 24 C GLU A 2 -2.382 9.866 -0.793 1.00 0.00 C ATOM 25 O GLU A 2 -1.692 9.550 -1.762 1.00 0.00 O ATOM 26 CB GLU A 2 -3.546 12.078 -0.902 1.00 0.00 C ATOM 27 CG GLU A 2 -4.857 11.934 -0.147 1.00 0.00 C ATOM 28 CD GLU A 2 -6.050 11.796 -1.073 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.877 11.258 -2.187 1.00 0.00 O ATOM 30 OE2 GLU A 2 -7.157 12.224 -0.683 1.00 0.00 O ATOM 0 H GLU A 2 -1.014 12.279 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.525 11.274 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.278 13.134 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.687 11.737 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.804 11.061 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.999 12.803 0.496 1.00 0.00 H new ATOM 37 N CYS A 3 -3.153 9.000 -0.143 1.00 0.00 N ATOM 38 CA CYS A 3 -3.233 7.600 -0.542 1.00 0.00 C ATOM 39 C CYS A 3 -4.498 6.945 0.002 1.00 0.00 C ATOM 40 O CYS A 3 -5.237 7.548 0.781 1.00 0.00 O ATOM 41 CB CYS A 3 -2.000 6.839 -0.054 1.00 0.00 C ATOM 42 SG CYS A 3 -0.715 6.615 -1.325 1.00 0.00 S ATOM 0 H CYS A 3 -3.731 9.243 0.662 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.269 7.562 -1.631 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.569 7.372 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.311 5.860 0.310 1.00 0.00 H new ATOM 47 N HIS A 4 -4.739 5.707 -0.417 1.00 0.00 N ATOM 48 CA HIS A 4 -5.909 4.964 0.021 1.00 0.00 C ATOM 49 C HIS A 4 -5.688 4.369 1.407 1.00 0.00 C ATOM 50 O HIS A 4 -4.556 4.281 1.883 1.00 0.00 O ATOM 51 CB HIS A 4 -6.218 3.856 -0.983 1.00 0.00 C ATOM 52 CG HIS A 4 -6.731 4.366 -2.294 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.066 4.612 -2.537 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.078 4.681 -3.438 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.213 5.055 -3.772 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.022 5.107 -4.341 1.00 0.00 N ATOM 0 H HIS A 4 -4.135 5.198 -1.062 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.755 5.649 0.077 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.314 3.272 -1.158 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.956 3.180 -0.551 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -8.822 4.473 -1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.014 4.611 -3.609 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.148 5.328 -4.238 1.00 0.00 H new ATOM 65 N ASN A 5 -6.776 3.961 2.052 1.00 0.00 N ATOM 66 CA ASN A 5 -6.699 3.375 3.386 1.00 0.00 C ATOM 67 C ASN A 5 -7.551 2.114 3.476 1.00 0.00 C ATOM 68 O ASN A 5 -7.104 1.085 3.982 1.00 0.00 O ATOM 69 CB ASN A 5 -7.151 4.387 4.439 1.00 0.00 C ATOM 70 CG ASN A 5 -8.445 5.066 4.071 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.033 4.795 3.024 1.00 0.00 O ATOM 72 ND2 ASN A 5 -8.895 5.954 4.940 1.00 0.00 N ATOM 0 H ASN A 5 -7.721 4.025 1.673 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.660 3.104 3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.270 3.881 5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.374 5.140 4.571 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.767 6.450 4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.370 6.143 5.794 1.00 0.00 H new ATOM 79 N GLN A 6 -8.778 2.206 2.982 1.00 0.00 N ATOM 80 CA GLN A 6 -9.699 1.076 3.003 1.00 0.00 C ATOM 81 C GLN A 6 -9.122 -0.109 2.235 1.00 0.00 C ATOM 82 O GLN A 6 -8.019 -0.035 1.695 1.00 0.00 O ATOM 83 CB GLN A 6 -11.047 1.481 2.405 1.00 0.00 C ATOM 84 CG GLN A 6 -12.240 0.906 3.149 1.00 0.00 C ATOM 85 CD GLN A 6 -13.515 1.689 2.901 1.00 0.00 C ATOM 86 OE1 GLN A 6 -13.509 2.920 2.894 1.00 0.00 O ATOM 87 NE2 GLN A 6 -14.617 0.977 2.694 1.00 0.00 N ATOM 0 H GLN A 6 -9.160 3.053 2.561 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.846 0.776 4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.121 2.568 2.401 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.086 1.155 1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.389 -0.130 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.026 0.896 4.218 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.576 -0.042 2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.504 1.449 2.520 1.00 0.00 H new ATOM 96 N GLN A 7 -9.876 -1.203 2.188 1.00 0.00 N ATOM 97 CA GLN A 7 -9.439 -2.404 1.485 1.00 0.00 C ATOM 98 C GLN A 7 -10.631 -3.272 1.097 1.00 0.00 C ATOM 99 O GLN A 7 -11.757 -3.032 1.535 1.00 0.00 O ATOM 100 CB GLN A 7 -8.471 -3.206 2.357 1.00 0.00 C ATOM 101 CG GLN A 7 -9.102 -3.742 3.631 1.00 0.00 C ATOM 102 CD GLN A 7 -9.241 -5.253 3.623 1.00 0.00 C ATOM 103 OE1 GLN A 7 -8.313 -5.971 3.252 1.00 0.00 O ATOM 104 NE2 GLN A 7 -10.405 -5.742 4.033 1.00 0.00 N ATOM 0 H GLN A 7 -10.793 -1.282 2.628 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.926 -2.095 0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.079 -4.041 1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.623 -2.574 2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.497 -3.441 4.486 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.086 -3.291 3.762 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.147 -5.109 4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.557 -6.750 4.049 1.00 0.00 H new ATOM 113 N SER A 8 -10.377 -4.283 0.271 1.00 0.00 N ATOM 114 CA SER A 8 -11.428 -5.190 -0.177 1.00 0.00 C ATOM 115 C SER A 8 -12.534 -4.428 -0.903 1.00 0.00 C ATOM 116 O SER A 8 -13.718 -4.613 -0.621 1.00 0.00 O ATOM 117 CB SER A 8 -12.012 -5.954 1.014 1.00 0.00 C ATOM 118 OG SER A 8 -12.990 -5.181 1.689 1.00 0.00 O ATOM 0 H SER A 8 -9.451 -4.494 -0.102 1.00 0.00 H new ATOM 0 HA SER A 8 -10.987 -5.902 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.457 -6.887 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.213 -6.219 1.706 1.00 0.00 H new ATOM 0 HG SER A 8 -12.556 -4.431 2.147 1.00 0.00 H new ATOM 124 N SER A 9 -12.139 -3.570 -1.838 1.00 0.00 N ATOM 125 CA SER A 9 -13.096 -2.781 -2.603 1.00 0.00 C ATOM 126 C SER A 9 -12.437 -2.168 -3.834 1.00 0.00 C ATOM 127 O SER A 9 -11.212 -2.079 -3.916 1.00 0.00 O ATOM 128 CB SER A 9 -13.696 -1.678 -1.729 1.00 0.00 C ATOM 129 OG SER A 9 -14.452 -2.226 -0.663 1.00 0.00 O ATOM 0 H SER A 9 -11.163 -3.404 -2.084 1.00 0.00 H new ATOM 0 HA SER A 9 -13.893 -3.447 -2.934 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.898 -1.052 -1.329 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.332 -1.034 -2.336 1.00 0.00 H new ATOM 0 HG SER A 9 -14.517 -3.198 -0.773 1.00 0.00 H new ATOM 135 N GLN A 10 -13.258 -1.744 -4.791 1.00 0.00 N ATOM 136 CA GLN A 10 -12.756 -1.138 -6.017 1.00 0.00 C ATOM 137 C GLN A 10 -12.318 0.303 -5.770 1.00 0.00 C ATOM 138 O GLN A 10 -11.138 0.633 -5.894 1.00 0.00 O ATOM 139 CB GLN A 10 -13.829 -1.177 -7.107 1.00 0.00 C ATOM 140 CG GLN A 10 -13.769 -2.426 -7.972 1.00 0.00 C ATOM 141 CD GLN A 10 -13.639 -2.109 -9.449 1.00 0.00 C ATOM 142 OE1 GLN A 10 -14.241 -1.157 -9.947 1.00 0.00 O ATOM 143 NE2 GLN A 10 -12.850 -2.907 -10.159 1.00 0.00 N ATOM 0 H GLN A 10 -14.275 -1.810 -4.739 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.890 -1.711 -6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.812 -1.115 -6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.722 -0.298 -7.743 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.923 -3.039 -7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.669 -3.019 -7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.370 -3.685 -9.706 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.724 -2.742 -11.158 1.00 0.00 H new ATOM 152 N THR A 11 -13.276 1.156 -5.423 1.00 0.00 N ATOM 153 CA THR A 11 -12.998 2.553 -5.161 1.00 0.00 C ATOM 154 C THR A 11 -13.064 2.858 -3.665 1.00 0.00 C ATOM 155 O THR A 11 -14.025 3.462 -3.189 1.00 0.00 O ATOM 156 CB THR A 11 -13.981 3.443 -5.922 1.00 0.00 C ATOM 157 OG1 THR A 11 -13.973 3.133 -7.304 1.00 0.00 O ATOM 158 CG2 THR A 11 -13.684 4.921 -5.781 1.00 0.00 C ATOM 0 H THR A 11 -14.257 0.896 -5.318 1.00 0.00 H new ATOM 0 HA THR A 11 -11.986 2.764 -5.507 1.00 0.00 H new ATOM 0 HB THR A 11 -14.956 3.241 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.610 3.712 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.419 5.495 -6.345 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.733 5.203 -4.729 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.686 5.130 -6.167 1.00 0.00 H new ATOM 166 N PRO A 12 -12.038 2.442 -2.901 1.00 0.00 N ATOM 167 CA PRO A 12 -11.987 2.676 -1.455 1.00 0.00 C ATOM 168 C PRO A 12 -11.746 4.143 -1.112 1.00 0.00 C ATOM 169 O PRO A 12 -11.577 4.978 -2.001 1.00 0.00 O ATOM 170 CB PRO A 12 -10.803 1.821 -1.000 1.00 0.00 C ATOM 171 CG PRO A 12 -9.926 1.725 -2.200 1.00 0.00 C ATOM 172 CD PRO A 12 -10.850 1.714 -3.387 1.00 0.00 C ATOM 0 HA PRO A 12 -12.928 2.421 -0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.280 2.282 -0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.130 0.836 -0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.238 2.569 -2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.319 0.820 -2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.402 2.207 -4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.099 0.698 -3.694 1.00 0.00 H new ATOM 180 N THR A 13 -11.731 4.448 0.180 1.00 0.00 N ATOM 181 CA THR A 13 -11.509 5.814 0.642 1.00 0.00 C ATOM 182 C THR A 13 -10.023 6.160 0.618 1.00 0.00 C ATOM 183 O THR A 13 -9.194 5.346 0.212 1.00 0.00 O ATOM 184 CB THR A 13 -12.064 5.993 2.056 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.701 4.897 2.879 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.571 6.120 2.096 1.00 0.00 C ATOM 0 H THR A 13 -11.870 3.768 0.927 1.00 0.00 H new ATOM 0 HA THR A 13 -12.033 6.490 -0.034 1.00 0.00 H new ATOM 0 HB THR A 13 -11.629 6.923 2.422 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.726 4.796 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.898 6.244 3.128 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.879 6.987 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.023 5.221 1.678 1.00 0.00 H new ATOM 194 N THR A 14 -9.693 7.370 1.057 1.00 0.00 N ATOM 195 CA THR A 14 -8.305 7.818 1.083 1.00 0.00 C ATOM 196 C THR A 14 -8.042 8.726 2.278 1.00 0.00 C ATOM 197 O THR A 14 -8.972 9.205 2.927 1.00 0.00 O ATOM 198 CB THR A 14 -7.952 8.548 -0.215 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.775 9.321 -0.052 1.00 0.00 O ATOM 200 CG2 THR A 14 -9.046 9.476 -0.699 1.00 0.00 C ATOM 0 H THR A 14 -10.366 8.057 1.399 1.00 0.00 H new ATOM 0 HA THR A 14 -7.673 6.935 1.177 1.00 0.00 H new ATOM 0 HB THR A 14 -7.810 7.762 -0.957 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.013 8.727 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.730 9.961 -1.623 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.955 8.903 -0.883 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.242 10.234 0.060 1.00 0.00 H new ATOM 208 N THR A 15 -6.765 8.958 2.559 1.00 0.00 N ATOM 209 CA THR A 15 -6.365 9.810 3.673 1.00 0.00 C ATOM 210 C THR A 15 -4.935 10.302 3.489 1.00 0.00 C ATOM 211 O THR A 15 -4.052 9.541 3.094 1.00 0.00 O ATOM 212 CB THR A 15 -6.492 9.051 4.993 1.00 0.00 C ATOM 213 OG1 THR A 15 -5.911 9.788 6.054 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.831 7.689 4.966 1.00 0.00 C ATOM 0 H THR A 15 -5.986 8.567 2.029 1.00 0.00 H new ATOM 0 HA THR A 15 -7.028 10.675 3.697 1.00 0.00 H new ATOM 0 HB THR A 15 -7.563 8.916 5.146 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.004 9.286 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.958 7.204 5.934 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.290 7.077 4.190 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.768 7.805 4.755 1.00 0.00 H new ATOM 222 N GLY A 16 -4.712 11.581 3.771 1.00 0.00 N ATOM 223 CA GLY A 16 -3.397 12.153 3.626 1.00 0.00 C ATOM 224 C GLY A 16 -2.484 11.827 4.791 1.00 0.00 C ATOM 225 O GLY A 16 -2.792 12.148 5.939 1.00 0.00 O ATOM 0 H GLY A 16 -5.427 12.231 4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.946 11.787 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.485 13.235 3.531 1.00 0.00 H new ATOM 229 N CYS A 17 -1.356 11.189 4.496 1.00 0.00 N ATOM 230 CA CYS A 17 -0.393 10.820 5.529 1.00 0.00 C ATOM 231 C CYS A 17 0.589 11.958 5.787 1.00 0.00 C ATOM 232 O CYS A 17 0.543 12.993 5.123 1.00 0.00 O ATOM 233 CB CYS A 17 0.367 9.558 5.121 1.00 0.00 C ATOM 234 SG CYS A 17 -0.706 8.182 4.593 1.00 0.00 S ATOM 0 H CYS A 17 -1.086 10.917 3.551 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.943 10.622 6.449 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.050 9.805 4.308 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.978 9.227 5.961 1.00 0.00 H new ATOM 239 N SER A 18 1.477 11.760 6.755 1.00 0.00 N ATOM 240 CA SER A 18 2.470 12.771 7.100 1.00 0.00 C ATOM 241 C SER A 18 3.482 12.222 8.101 1.00 0.00 C ATOM 242 O SER A 18 3.371 11.080 8.548 1.00 0.00 O ATOM 243 CB SER A 18 1.786 14.011 7.679 1.00 0.00 C ATOM 244 OG SER A 18 2.665 15.121 7.688 1.00 0.00 O ATOM 0 H SER A 18 1.530 10.909 7.315 1.00 0.00 H new ATOM 0 HA SER A 18 3.000 13.048 6.189 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.900 14.250 7.090 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.448 13.803 8.694 1.00 0.00 H new ATOM 0 HG SER A 18 2.203 15.901 8.061 1.00 0.00 H new ATOM 250 N GLY A 19 4.468 13.042 8.448 1.00 0.00 N ATOM 251 CA GLY A 19 5.485 12.621 9.393 1.00 0.00 C ATOM 252 C GLY A 19 6.427 11.585 8.811 1.00 0.00 C ATOM 253 O GLY A 19 6.258 10.387 9.036 1.00 0.00 O ATOM 0 H GLY A 19 4.581 13.991 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.060 13.490 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.004 12.211 10.281 1.00 0.00 H new ATOM 257 N GLY A 20 7.422 12.048 8.060 1.00 0.00 N ATOM 258 CA GLY A 20 8.384 11.147 7.455 1.00 0.00 C ATOM 259 C GLY A 20 7.728 9.995 6.715 1.00 0.00 C ATOM 260 O GLY A 20 8.313 8.920 6.583 1.00 0.00 O ATOM 0 H GLY A 20 7.579 13.036 7.860 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.013 11.706 6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.039 10.749 8.230 1.00 0.00 H new ATOM 264 N GLU A 21 6.510 10.221 6.231 1.00 0.00 N ATOM 265 CA GLU A 21 5.776 9.195 5.501 1.00 0.00 C ATOM 266 C GLU A 21 5.421 9.672 4.097 1.00 0.00 C ATOM 267 O GLU A 21 4.428 10.373 3.901 1.00 0.00 O ATOM 268 CB GLU A 21 4.503 8.813 6.259 1.00 0.00 C ATOM 269 CG GLU A 21 4.087 7.365 6.054 1.00 0.00 C ATOM 270 CD GLU A 21 3.929 6.611 7.360 1.00 0.00 C ATOM 271 OE1 GLU A 21 4.615 6.970 8.340 1.00 0.00 O ATOM 272 OE2 GLU A 21 3.119 5.661 7.404 1.00 0.00 O ATOM 0 H GLU A 21 6.012 11.105 6.332 1.00 0.00 H new ATOM 0 HA GLU A 21 6.418 8.318 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.656 8.992 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.690 9.465 5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.145 7.336 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.831 6.862 5.436 1.00 0.00 H new ATOM 279 N ASN A 22 6.239 9.287 3.122 1.00 0.00 N ATOM 280 CA ASN A 22 6.012 9.675 1.734 1.00 0.00 C ATOM 281 C ASN A 22 5.898 8.448 0.834 1.00 0.00 C ATOM 282 O ASN A 22 6.187 8.513 -0.360 1.00 0.00 O ATOM 283 CB ASN A 22 7.146 10.577 1.242 1.00 0.00 C ATOM 284 CG ASN A 22 7.464 11.693 2.218 1.00 0.00 C ATOM 285 OD1 ASN A 22 8.077 11.466 3.261 1.00 0.00 O ATOM 286 ND2 ASN A 22 7.047 12.908 1.883 1.00 0.00 N ATOM 0 H ASN A 22 7.065 8.707 3.268 1.00 0.00 H new ATOM 0 HA ASN A 22 5.072 10.225 1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.040 9.975 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.872 11.008 0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.232 13.699 2.500 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.542 13.051 1.008 1.00 0.00 H new ATOM 293 N ASN A 23 5.477 7.328 1.415 1.00 0.00 N ATOM 294 CA ASN A 23 5.328 6.087 0.665 1.00 0.00 C ATOM 295 C ASN A 23 4.090 5.321 1.122 1.00 0.00 C ATOM 296 O ASN A 23 3.718 5.366 2.295 1.00 0.00 O ATOM 297 CB ASN A 23 6.571 5.215 0.839 1.00 0.00 C ATOM 298 CG ASN A 23 7.767 5.754 0.079 1.00 0.00 C ATOM 299 OD1 ASN A 23 7.617 6.446 -0.928 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.965 5.439 0.560 1.00 0.00 N ATOM 0 H ASN A 23 5.233 7.255 2.403 1.00 0.00 H new ATOM 0 HA ASN A 23 5.210 6.338 -0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.818 5.147 1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.352 4.203 0.497 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.807 5.774 0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.043 4.863 1.398 1.00 0.00 H new ATOM 307 N CYS A 24 3.459 4.615 0.190 1.00 0.00 N ATOM 308 CA CYS A 24 2.265 3.835 0.500 1.00 0.00 C ATOM 309 C CYS A 24 2.471 2.370 0.137 1.00 0.00 C ATOM 310 O CYS A 24 2.697 2.031 -1.024 1.00 0.00 O ATOM 311 CB CYS A 24 1.051 4.395 -0.242 1.00 0.00 C ATOM 312 SG CYS A 24 0.960 6.216 -0.250 1.00 0.00 S ATOM 0 H CYS A 24 3.753 4.566 -0.785 1.00 0.00 H new ATOM 0 HA CYS A 24 2.082 3.905 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.071 4.038 -1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.144 3.998 0.215 1.00 0.00 H new ATOM 317 N TYR A 25 2.409 1.508 1.144 1.00 0.00 N ATOM 318 CA TYR A 25 2.605 0.091 0.956 1.00 0.00 C ATOM 319 C TYR A 25 1.310 -0.625 0.580 1.00 0.00 C ATOM 320 O TYR A 25 0.306 -0.522 1.284 1.00 0.00 O ATOM 321 CB TYR A 25 3.183 -0.520 2.231 1.00 0.00 C ATOM 322 CG TYR A 25 2.190 -0.605 3.371 1.00 0.00 C ATOM 323 CD1 TYR A 25 2.019 0.458 4.249 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.422 -1.747 3.566 1.00 0.00 C ATOM 325 CE1 TYR A 25 1.112 0.386 5.289 1.00 0.00 C ATOM 326 CE2 TYR A 25 0.512 -1.826 4.603 1.00 0.00 C ATOM 327 CZ TYR A 25 0.362 -0.757 5.462 1.00 0.00 C ATOM 328 OH TYR A 25 -0.542 -0.833 6.496 1.00 0.00 O ATOM 0 H TYR A 25 2.221 1.779 2.109 1.00 0.00 H new ATOM 0 HA TYR A 25 3.302 -0.039 0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.553 -1.521 2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.040 0.073 2.551 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.605 1.356 4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.538 -2.586 2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.992 1.221 5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.079 -2.720 4.740 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.989 -1.705 6.476 1.00 0.00 H new ATOM 338 N LYS A 26 1.352 -1.376 -0.516 1.00 0.00 N ATOM 339 CA LYS A 26 0.198 -2.139 -0.964 1.00 0.00 C ATOM 340 C LYS A 26 0.506 -3.621 -0.820 1.00 0.00 C ATOM 341 O LYS A 26 1.400 -4.141 -1.488 1.00 0.00 O ATOM 342 CB LYS A 26 -0.139 -1.804 -2.418 1.00 0.00 C ATOM 343 CG LYS A 26 -1.581 -2.105 -2.792 1.00 0.00 C ATOM 344 CD LYS A 26 -1.780 -2.106 -4.300 1.00 0.00 C ATOM 345 CE LYS A 26 -2.939 -1.212 -4.711 1.00 0.00 C ATOM 346 NZ LYS A 26 -2.657 -0.485 -5.979 1.00 0.00 N ATOM 0 H LYS A 26 2.176 -1.471 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.667 -1.881 -0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.061 -0.747 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.523 -2.367 -3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.868 -3.075 -2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.238 -1.363 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.867 -1.767 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.965 -3.124 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.838 -1.816 -4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.142 -0.493 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.457 0.139 -6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.794 0.085 -5.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.522 -1.170 -6.750 1.00 0.00 H new ATOM 360 N LYS A 27 -0.198 -4.297 0.080 1.00 0.00 N ATOM 361 CA LYS A 27 0.050 -5.703 0.321 1.00 0.00 C ATOM 362 C LYS A 27 -1.210 -6.543 0.160 1.00 0.00 C ATOM 363 O LYS A 27 -2.174 -6.390 0.910 1.00 0.00 O ATOM 364 CB LYS A 27 0.610 -5.884 1.726 1.00 0.00 C ATOM 365 CG LYS A 27 -0.096 -5.049 2.781 1.00 0.00 C ATOM 366 CD LYS A 27 0.324 -5.457 4.184 1.00 0.00 C ATOM 367 CE LYS A 27 -0.302 -6.782 4.588 1.00 0.00 C ATOM 368 NZ LYS A 27 0.386 -7.388 5.761 1.00 0.00 N ATOM 0 H LYS A 27 -0.941 -3.892 0.650 1.00 0.00 H new ATOM 0 HA LYS A 27 0.771 -6.046 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.540 -6.936 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.669 -5.626 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.130 -3.994 2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.175 -5.163 2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.410 -5.537 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.030 -4.683 4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.355 -6.629 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.262 -7.474 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.071 -8.290 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.385 -7.558 5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.326 -6.740 6.572 1.00 0.00 H new ATOM 382 N GLU A 28 -1.182 -7.450 -0.810 1.00 0.00 N ATOM 383 CA GLU A 28 -2.300 -8.341 -1.061 1.00 0.00 C ATOM 384 C GLU A 28 -1.847 -9.794 -0.966 1.00 0.00 C ATOM 385 O GLU A 28 -0.650 -10.078 -0.923 1.00 0.00 O ATOM 386 CB GLU A 28 -2.931 -8.072 -2.431 1.00 0.00 C ATOM 387 CG GLU A 28 -2.040 -7.327 -3.410 1.00 0.00 C ATOM 388 CD GLU A 28 -2.214 -7.812 -4.836 1.00 0.00 C ATOM 389 OE1 GLU A 28 -1.653 -8.876 -5.175 1.00 0.00 O ATOM 390 OE2 GLU A 28 -2.910 -7.129 -5.617 1.00 0.00 O ATOM 0 H GLU A 28 -0.389 -7.585 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.057 -8.152 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.218 -9.025 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.847 -7.499 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.264 -6.261 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.998 -7.448 -3.113 1.00 0.00 H new ATOM 397 N TRP A 29 -2.815 -10.702 -0.926 1.00 0.00 N ATOM 398 CA TRP A 29 -2.535 -12.132 -0.830 1.00 0.00 C ATOM 399 C TRP A 29 -3.606 -12.928 -1.569 1.00 0.00 C ATOM 400 O TRP A 29 -4.800 -12.707 -1.365 1.00 0.00 O ATOM 401 CB TRP A 29 -2.508 -12.576 0.637 1.00 0.00 C ATOM 402 CG TRP A 29 -3.681 -12.112 1.429 1.00 0.00 C ATOM 403 CD1 TRP A 29 -4.737 -12.870 1.802 1.00 0.00 C ATOM 404 CD2 TRP A 29 -3.913 -10.802 1.956 1.00 0.00 C ATOM 405 NE1 TRP A 29 -5.633 -12.118 2.524 1.00 0.00 N ATOM 406 CE2 TRP A 29 -5.147 -10.841 2.632 1.00 0.00 C ATOM 407 CE3 TRP A 29 -3.201 -9.601 1.920 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -5.685 -9.725 3.267 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -3.734 -8.493 2.551 1.00 0.00 C ATOM 410 CH2 TRP A 29 -4.966 -8.562 3.217 1.00 0.00 C ATOM 0 H TRP A 29 -3.808 -10.472 -0.959 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.561 -12.318 -1.282 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.463 -13.664 0.676 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.596 -12.202 1.103 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.859 -13.917 1.566 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.513 -12.454 2.914 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.252 -9.539 1.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.634 -9.775 3.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.193 -7.559 2.531 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.356 -7.678 3.701 1.00 0.00 H new ATOM 421 N ARG A 30 -3.186 -13.858 -2.417 1.00 0.00 N ATOM 422 CA ARG A 30 -4.130 -14.680 -3.161 1.00 0.00 C ATOM 423 C ARG A 30 -4.167 -16.096 -2.602 1.00 0.00 C ATOM 424 O ARG A 30 -3.195 -16.563 -2.008 1.00 0.00 O ATOM 425 CB ARG A 30 -3.774 -14.713 -4.651 1.00 0.00 C ATOM 426 CG ARG A 30 -2.292 -14.531 -4.940 1.00 0.00 C ATOM 427 CD ARG A 30 -1.474 -15.698 -4.412 1.00 0.00 C ATOM 428 NE ARG A 30 -2.001 -16.985 -4.861 1.00 0.00 N ATOM 429 CZ ARG A 30 -1.800 -17.484 -6.079 1.00 0.00 C ATOM 430 NH1 ARG A 30 -1.088 -16.808 -6.972 1.00 0.00 N ATOM 431 NH2 ARG A 30 -2.315 -18.662 -6.405 1.00 0.00 N ATOM 0 H ARG A 30 -2.204 -14.061 -2.606 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.118 -14.233 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.101 -15.664 -5.071 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.332 -13.930 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.139 -14.435 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.942 -13.605 -4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.440 -15.595 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.465 -15.670 -3.322 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.555 -17.533 -4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.691 -15.901 -6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.938 -17.196 -7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.864 -19.185 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.162 -19.045 -7.338 1.00 0.00 H new ATOM 445 N ASP A 31 -5.295 -16.773 -2.787 1.00 0.00 N ATOM 446 CA ASP A 31 -5.449 -18.134 -2.289 1.00 0.00 C ATOM 447 C ASP A 31 -6.524 -18.894 -3.059 1.00 0.00 C ATOM 448 O ASP A 31 -7.692 -18.508 -3.065 1.00 0.00 O ATOM 449 CB ASP A 31 -5.795 -18.115 -0.799 1.00 0.00 C ATOM 450 CG ASP A 31 -7.045 -17.307 -0.507 1.00 0.00 C ATOM 451 OD1 ASP A 31 -6.962 -16.061 -0.516 1.00 0.00 O ATOM 452 OD2 ASP A 31 -8.107 -17.922 -0.268 1.00 0.00 O ATOM 0 H ASP A 31 -6.111 -16.404 -3.275 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.500 -18.649 -2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.936 -19.137 -0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.957 -17.699 -0.239 1.00 0.00 H new ATOM 457 N ASN A 32 -6.117 -19.988 -3.694 1.00 0.00 N ATOM 458 CA ASN A 32 -7.035 -20.825 -4.458 1.00 0.00 C ATOM 459 C ASN A 32 -7.635 -20.077 -5.647 1.00 0.00 C ATOM 460 O ASN A 32 -7.227 -20.284 -6.789 1.00 0.00 O ATOM 461 CB ASN A 32 -8.150 -21.353 -3.550 1.00 0.00 C ATOM 462 CG ASN A 32 -8.277 -22.862 -3.609 1.00 0.00 C ATOM 463 OD1 ASN A 32 -7.429 -23.590 -3.092 1.00 0.00 O ATOM 464 ND2 ASN A 32 -9.342 -23.342 -4.243 1.00 0.00 N ATOM 0 H ASN A 32 -5.152 -20.317 -3.694 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.462 -21.664 -4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.953 -21.048 -2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.097 -20.900 -3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.481 -24.350 -4.315 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.020 -22.702 -4.657 1.00 0.00 H new ATOM 471 N ARG A 33 -8.620 -19.223 -5.378 1.00 0.00 N ATOM 472 CA ARG A 33 -9.283 -18.470 -6.438 1.00 0.00 C ATOM 473 C ARG A 33 -9.280 -16.970 -6.151 1.00 0.00 C ATOM 474 O ARG A 33 -8.637 -16.196 -6.859 1.00 0.00 O ATOM 475 CB ARG A 33 -10.726 -18.961 -6.612 1.00 0.00 C ATOM 476 CG ARG A 33 -11.278 -19.703 -5.403 1.00 0.00 C ATOM 477 CD ARG A 33 -12.615 -20.357 -5.709 1.00 0.00 C ATOM 478 NE ARG A 33 -13.280 -20.835 -4.499 1.00 0.00 N ATOM 479 CZ ARG A 33 -14.215 -21.782 -4.489 1.00 0.00 C ATOM 480 NH1 ARG A 33 -14.605 -22.354 -5.622 1.00 0.00 N ATOM 481 NH2 ARG A 33 -14.763 -22.159 -3.342 1.00 0.00 N ATOM 0 H ARG A 33 -8.975 -19.036 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.726 -18.638 -7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.367 -18.105 -6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.773 -19.617 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.565 -20.464 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.394 -19.008 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.260 -19.642 -6.219 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.462 -21.192 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.011 -20.418 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.187 -22.068 -6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.322 -23.079 -5.607 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.468 -21.723 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.480 -22.885 -3.333 1.00 0.00 H new ATOM 495 N GLY A 34 -10.014 -16.566 -5.120 1.00 0.00 N ATOM 496 CA GLY A 34 -10.093 -15.160 -4.774 1.00 0.00 C ATOM 497 C GLY A 34 -8.890 -14.674 -3.992 1.00 0.00 C ATOM 498 O GLY A 34 -8.071 -15.471 -3.533 1.00 0.00 O ATOM 0 H GLY A 34 -10.555 -17.187 -4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.188 -14.572 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.995 -14.986 -4.187 1.00 0.00 H new ATOM 502 N TYR A 35 -8.784 -13.357 -3.844 1.00 0.00 N ATOM 503 CA TYR A 35 -7.674 -12.754 -3.116 1.00 0.00 C ATOM 504 C TYR A 35 -8.102 -11.446 -2.459 1.00 0.00 C ATOM 505 O TYR A 35 -9.188 -10.932 -2.723 1.00 0.00 O ATOM 506 CB TYR A 35 -6.495 -12.504 -4.056 1.00 0.00 C ATOM 507 CG TYR A 35 -6.821 -11.593 -5.218 1.00 0.00 C ATOM 508 CD1 TYR A 35 -7.057 -10.240 -5.021 1.00 0.00 C ATOM 509 CD2 TYR A 35 -6.887 -12.090 -6.513 1.00 0.00 C ATOM 510 CE1 TYR A 35 -7.352 -9.405 -6.082 1.00 0.00 C ATOM 511 CE2 TYR A 35 -7.181 -11.262 -7.580 1.00 0.00 C ATOM 512 CZ TYR A 35 -7.413 -9.921 -7.360 1.00 0.00 C ATOM 513 OH TYR A 35 -7.707 -9.094 -8.419 1.00 0.00 O ATOM 0 H TYR A 35 -9.455 -12.687 -4.219 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.365 -13.448 -2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.674 -12.070 -3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.143 -13.460 -4.444 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.009 -9.833 -4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.706 -13.140 -6.689 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.534 -8.354 -5.912 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.229 -11.664 -8.581 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.710 -9.614 -9.249 1.00 0.00 H new ATOM 523 N ARG A 36 -7.237 -10.913 -1.602 1.00 0.00 N ATOM 524 CA ARG A 36 -7.521 -9.661 -0.905 1.00 0.00 C ATOM 525 C ARG A 36 -6.387 -8.662 -1.107 1.00 0.00 C ATOM 526 O ARG A 36 -5.288 -9.037 -1.513 1.00 0.00 O ATOM 527 CB ARG A 36 -7.734 -9.922 0.587 1.00 0.00 C ATOM 528 CG ARG A 36 -9.097 -10.512 0.910 1.00 0.00 C ATOM 529 CD ARG A 36 -9.054 -11.358 2.172 1.00 0.00 C ATOM 530 NE ARG A 36 -10.300 -12.089 2.384 1.00 0.00 N ATOM 531 CZ ARG A 36 -10.617 -13.215 1.746 1.00 0.00 C ATOM 532 NH1 ARG A 36 -9.782 -13.740 0.859 1.00 0.00 N ATOM 533 NH2 ARG A 36 -11.771 -13.816 1.998 1.00 0.00 N ATOM 0 H ARG A 36 -6.334 -11.327 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.433 -9.236 -1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.959 -10.601 0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.613 -8.986 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.822 -9.708 1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.438 -11.122 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.226 -12.064 2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.859 -10.717 3.032 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.967 -11.716 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.892 -13.282 0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.030 -14.602 0.373 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.416 -13.417 2.680 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.014 -14.678 1.510 1.00 0.00 H new ATOM 547 N THR A 37 -6.657 -7.389 -0.825 1.00 0.00 N ATOM 548 CA THR A 37 -5.649 -6.347 -0.986 1.00 0.00 C ATOM 549 C THR A 37 -5.925 -5.154 -0.076 1.00 0.00 C ATOM 550 O THR A 37 -7.020 -4.593 -0.085 1.00 0.00 O ATOM 551 CB THR A 37 -5.595 -5.882 -2.444 1.00 0.00 C ATOM 552 OG1 THR A 37 -4.465 -5.057 -2.665 1.00 0.00 O ATOM 553 CG2 THR A 37 -6.820 -5.105 -2.876 1.00 0.00 C ATOM 0 H THR A 37 -7.560 -7.057 -0.486 1.00 0.00 H new ATOM 0 HA THR A 37 -4.687 -6.774 -0.704 1.00 0.00 H new ATOM 0 HB THR A 37 -5.541 -6.797 -3.034 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.447 -4.771 -3.602 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.713 -4.807 -3.919 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.705 -5.731 -2.766 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.925 -4.216 -2.254 1.00 0.00 H new ATOM 561 N GLU A 38 -4.917 -4.766 0.701 1.00 0.00 N ATOM 562 CA GLU A 38 -5.040 -3.635 1.608 1.00 0.00 C ATOM 563 C GLU A 38 -3.998 -2.570 1.283 1.00 0.00 C ATOM 564 O GLU A 38 -2.900 -2.880 0.817 1.00 0.00 O ATOM 565 CB GLU A 38 -4.884 -4.084 3.062 1.00 0.00 C ATOM 566 CG GLU A 38 -4.119 -5.386 3.231 1.00 0.00 C ATOM 567 CD GLU A 38 -4.013 -5.820 4.681 1.00 0.00 C ATOM 568 OE1 GLU A 38 -4.388 -5.024 5.568 1.00 0.00 O ATOM 569 OE2 GLU A 38 -3.553 -6.954 4.929 1.00 0.00 O ATOM 0 H GLU A 38 -4.005 -5.222 0.718 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.035 -3.209 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.373 -3.300 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.874 -4.197 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.613 -6.170 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.117 -5.270 2.817 1.00 0.00 H new ATOM 576 N ARG A 39 -4.350 -1.314 1.535 1.00 0.00 N ATOM 577 CA ARG A 39 -3.447 -0.198 1.271 1.00 0.00 C ATOM 578 C ARG A 39 -3.224 0.627 2.534 1.00 0.00 C ATOM 579 O ARG A 39 -4.125 0.769 3.362 1.00 0.00 O ATOM 580 CB ARG A 39 -4.008 0.691 0.157 1.00 0.00 C ATOM 581 CG ARG A 39 -4.704 -0.081 -0.954 1.00 0.00 C ATOM 582 CD ARG A 39 -6.200 0.191 -0.975 1.00 0.00 C ATOM 583 NE ARG A 39 -6.952 -0.905 -1.580 1.00 0.00 N ATOM 584 CZ ARG A 39 -7.097 -1.071 -2.894 1.00 0.00 C ATOM 585 NH1 ARG A 39 -6.535 -0.221 -3.744 1.00 0.00 N ATOM 586 NH2 ARG A 39 -7.805 -2.091 -3.359 1.00 0.00 N ATOM 0 H ARG A 39 -5.254 -1.042 1.922 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.489 -0.606 0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.713 1.400 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.194 1.275 -0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.270 0.194 -1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.530 -1.149 -0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.552 0.352 0.044 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.393 1.110 -1.528 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.393 -1.584 -0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.988 0.565 -3.393 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.650 -0.354 -4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.239 -2.748 -2.711 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.916 -2.218 -4.365 1.00 0.00 H new ATOM 600 N GLY A 40 -2.019 1.170 2.678 1.00 0.00 N ATOM 601 CA GLY A 40 -1.701 1.973 3.844 1.00 0.00 C ATOM 602 C GLY A 40 -0.515 2.888 3.612 1.00 0.00 C ATOM 603 O GLY A 40 -0.155 3.171 2.470 1.00 0.00 O ATOM 0 H GLY A 40 -1.257 1.068 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.570 2.572 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.489 1.316 4.687 1.00 0.00 H new ATOM 607 N CYS A 41 0.092 3.352 4.700 1.00 0.00 N ATOM 608 CA CYS A 41 1.245 4.241 4.611 1.00 0.00 C ATOM 609 C CYS A 41 2.416 3.696 5.422 1.00 0.00 C ATOM 610 O CYS A 41 2.278 3.400 6.609 1.00 0.00 O ATOM 611 CB CYS A 41 0.872 5.641 5.106 1.00 0.00 C ATOM 612 SG CYS A 41 0.585 6.848 3.772 1.00 0.00 S ATOM 0 H CYS A 41 -0.195 3.127 5.653 1.00 0.00 H new ATOM 0 HA CYS A 41 1.549 4.301 3.566 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.027 5.571 5.718 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.669 6.011 5.751 1.00 0.00 H new ATOM 617 N GLY A 42 3.568 3.565 4.773 1.00 0.00 N ATOM 618 CA GLY A 42 4.747 3.056 5.448 1.00 0.00 C ATOM 619 C GLY A 42 5.030 1.605 5.108 1.00 0.00 C ATOM 620 O GLY A 42 4.380 0.700 5.631 1.00 0.00 O ATOM 0 H GLY A 42 3.706 3.803 3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.609 3.665 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.616 3.154 6.526 1.00 0.00 H new ATOM 624 N CYS A 43 6.002 1.383 4.229 1.00 0.00 N ATOM 625 CA CYS A 43 6.370 0.034 3.819 1.00 0.00 C ATOM 626 C CYS A 43 7.320 -0.603 4.834 1.00 0.00 C ATOM 627 O CYS A 43 8.479 -0.203 4.942 1.00 0.00 O ATOM 628 CB CYS A 43 7.028 0.061 2.438 1.00 0.00 C ATOM 629 SG CYS A 43 7.378 -1.588 1.747 1.00 0.00 S ATOM 0 H CYS A 43 6.549 2.122 3.787 1.00 0.00 H new ATOM 0 HA CYS A 43 5.461 -0.566 3.771 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.379 0.601 1.749 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.961 0.621 2.503 1.00 0.00 H new ATOM 634 N PRO A 44 6.844 -1.608 5.592 1.00 0.00 N ATOM 635 CA PRO A 44 7.665 -2.292 6.597 1.00 0.00 C ATOM 636 C PRO A 44 8.767 -3.136 5.965 1.00 0.00 C ATOM 637 O PRO A 44 8.834 -3.274 4.744 1.00 0.00 O ATOM 638 CB PRO A 44 6.663 -3.187 7.331 1.00 0.00 C ATOM 639 CG PRO A 44 5.569 -3.416 6.347 1.00 0.00 C ATOM 640 CD PRO A 44 5.475 -2.155 5.534 1.00 0.00 C ATOM 0 HA PRO A 44 8.181 -1.587 7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.122 -4.127 7.638 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.289 -2.705 8.234 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.788 -4.275 5.712 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.626 -3.626 6.853 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.167 -2.360 4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.747 -1.460 5.953 1.00 0.00 H new ATOM 648 N SER A 45 9.630 -3.698 6.805 1.00 0.00 N ATOM 649 CA SER A 45 10.728 -4.529 6.328 1.00 0.00 C ATOM 650 C SER A 45 10.478 -5.999 6.655 1.00 0.00 C ATOM 651 O SER A 45 11.357 -6.691 7.171 1.00 0.00 O ATOM 652 CB SER A 45 12.048 -4.070 6.952 1.00 0.00 C ATOM 653 OG SER A 45 12.007 -2.690 7.276 1.00 0.00 O ATOM 0 H SER A 45 9.590 -3.593 7.819 1.00 0.00 H new ATOM 0 HA SER A 45 10.790 -4.423 5.245 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.251 -4.652 7.851 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.867 -4.260 6.258 1.00 0.00 H new ATOM 0 HG SER A 45 12.861 -2.422 7.675 1.00 0.00 H new ATOM 659 N VAL A 46 9.272 -6.467 6.352 1.00 0.00 N ATOM 660 CA VAL A 46 8.901 -7.849 6.611 1.00 0.00 C ATOM 661 C VAL A 46 9.074 -8.709 5.363 1.00 0.00 C ATOM 662 O VAL A 46 8.834 -8.255 4.245 1.00 0.00 O ATOM 663 CB VAL A 46 7.442 -7.958 7.094 1.00 0.00 C ATOM 664 CG1 VAL A 46 7.350 -7.684 8.586 1.00 0.00 C ATOM 665 CG2 VAL A 46 6.537 -7.013 6.315 1.00 0.00 C ATOM 0 H VAL A 46 8.534 -5.906 5.926 1.00 0.00 H new ATOM 0 HA VAL A 46 9.565 -8.212 7.395 1.00 0.00 H new ATOM 0 HB VAL A 46 7.101 -8.977 6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.312 -7.766 8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.956 -8.411 9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.716 -6.679 8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.513 -7.110 6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.876 -5.987 6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.574 -7.265 5.255 1.00 0.00 H new ATOM 675 N LYS A 47 9.492 -9.955 5.563 1.00 0.00 N ATOM 676 CA LYS A 47 9.697 -10.880 4.454 1.00 0.00 C ATOM 677 C LYS A 47 8.378 -11.524 4.035 1.00 0.00 C ATOM 678 O LYS A 47 8.156 -12.714 4.262 1.00 0.00 O ATOM 679 CB LYS A 47 10.707 -11.961 4.845 1.00 0.00 C ATOM 680 CG LYS A 47 10.264 -12.807 6.028 1.00 0.00 C ATOM 681 CD LYS A 47 11.403 -13.035 7.009 1.00 0.00 C ATOM 682 CE LYS A 47 11.198 -14.307 7.817 1.00 0.00 C ATOM 683 NZ LYS A 47 12.440 -14.723 8.524 1.00 0.00 N ATOM 0 H LYS A 47 9.695 -10.347 6.482 1.00 0.00 H new ATOM 0 HA LYS A 47 10.090 -10.316 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.880 -12.612 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.659 -11.488 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.436 -12.315 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.893 -13.767 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.346 -13.096 6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.479 -12.183 7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.402 -14.150 8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.872 -15.109 7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.258 -15.594 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.193 -14.898 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.738 -13.969 9.175 1.00 0.00 H new ATOM 697 N LYS A 48 7.506 -10.730 3.424 1.00 0.00 N ATOM 698 CA LYS A 48 6.209 -11.222 2.975 1.00 0.00 C ATOM 699 C LYS A 48 5.876 -10.695 1.583 1.00 0.00 C ATOM 700 O LYS A 48 6.099 -9.522 1.283 1.00 0.00 O ATOM 701 CB LYS A 48 5.116 -10.813 3.963 1.00 0.00 C ATOM 702 CG LYS A 48 4.069 -11.892 4.193 1.00 0.00 C ATOM 703 CD LYS A 48 4.480 -12.840 5.308 1.00 0.00 C ATOM 704 CE LYS A 48 4.238 -14.292 4.926 1.00 0.00 C ATOM 705 NZ LYS A 48 5.496 -14.977 4.520 1.00 0.00 N ATOM 0 H LYS A 48 7.674 -9.743 3.228 1.00 0.00 H new ATOM 0 HA LYS A 48 6.259 -12.310 2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.577 -10.557 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.623 -9.913 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.115 -11.427 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.918 -12.456 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.535 -12.695 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.920 -12.603 6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.793 -14.820 5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.520 -14.337 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.288 -15.964 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.908 -14.489 3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.173 -14.957 5.310 1.00 0.00 H new ATOM 719 N GLY A 49 5.342 -11.570 0.737 1.00 0.00 N ATOM 720 CA GLY A 49 4.986 -11.176 -0.614 1.00 0.00 C ATOM 721 C GLY A 49 3.898 -12.052 -1.204 1.00 0.00 C ATOM 722 O GLY A 49 4.155 -12.850 -2.104 1.00 0.00 O ATOM 0 H GLY A 49 5.149 -12.546 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.652 -10.139 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.871 -11.224 -1.249 1.00 0.00 H new ATOM 726 N ILE A 50 2.680 -11.903 -0.693 1.00 0.00 N ATOM 727 CA ILE A 50 1.549 -12.680 -1.162 1.00 0.00 C ATOM 728 C ILE A 50 0.915 -12.031 -2.389 1.00 0.00 C ATOM 729 O ILE A 50 0.343 -12.713 -3.239 1.00 0.00 O ATOM 730 CB ILE A 50 0.509 -12.851 -0.048 1.00 0.00 C ATOM 731 CG1 ILE A 50 1.183 -12.846 1.330 1.00 0.00 C ATOM 732 CG2 ILE A 50 -0.256 -14.151 -0.248 1.00 0.00 C ATOM 733 CD1 ILE A 50 0.963 -11.564 2.103 1.00 0.00 C ATOM 0 H ILE A 50 2.455 -11.244 0.052 1.00 0.00 H new ATOM 0 HA ILE A 50 1.913 -13.667 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.187 -12.014 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.803 -13.684 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.254 -13.006 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.993 -14.266 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.763 -14.130 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.439 -14.990 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.467 -11.630 3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.368 -10.724 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.105 -11.413 2.261 1.00 0.00 H new ATOM 745 N GLY A 51 1.031 -10.709 -2.478 1.00 0.00 N ATOM 746 CA GLY A 51 0.477 -9.987 -3.609 1.00 0.00 C ATOM 747 C GLY A 51 0.971 -8.553 -3.683 1.00 0.00 C ATOM 748 O GLY A 51 1.083 -7.876 -2.660 1.00 0.00 O ATOM 0 H GLY A 51 1.500 -10.125 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.739 -10.506 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.611 -9.990 -3.540 1.00 0.00 H new ATOM 752 N ILE A 52 1.257 -8.087 -4.898 1.00 0.00 N ATOM 753 CA ILE A 52 1.730 -6.718 -5.119 1.00 0.00 C ATOM 754 C ILE A 52 2.803 -6.311 -4.098 1.00 0.00 C ATOM 755 O ILE A 52 3.307 -7.149 -3.349 1.00 0.00 O ATOM 756 CB ILE A 52 0.543 -5.721 -5.112 1.00 0.00 C ATOM 757 CG1 ILE A 52 0.705 -4.695 -6.237 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.387 -5.028 -3.766 1.00 0.00 C ATOM 759 CD1 ILE A 52 0.746 -5.314 -7.617 1.00 0.00 C ATOM 0 H ILE A 52 1.169 -8.640 -5.750 1.00 0.00 H new ATOM 0 HA ILE A 52 2.198 -6.687 -6.103 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.369 -6.293 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.120 -3.984 -6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.623 -4.130 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.456 -4.339 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.209 -5.774 -2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.297 -4.474 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.862 -4.529 -8.364 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.587 -6.004 -7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.182 -5.855 -7.801 1.00 0.00 H new ATOM 771 N ASN A 53 3.160 -5.028 -4.087 1.00 0.00 N ATOM 772 CA ASN A 53 4.182 -4.522 -3.173 1.00 0.00 C ATOM 773 C ASN A 53 3.917 -3.068 -2.784 1.00 0.00 C ATOM 774 O ASN A 53 2.800 -2.564 -2.914 1.00 0.00 O ATOM 775 CB ASN A 53 5.565 -4.651 -3.823 1.00 0.00 C ATOM 776 CG ASN A 53 6.556 -5.378 -2.933 1.00 0.00 C ATOM 777 OD1 ASN A 53 6.949 -4.875 -1.882 1.00 0.00 O ATOM 778 ND2 ASN A 53 6.963 -6.571 -3.353 1.00 0.00 N ATOM 0 H ASN A 53 2.757 -4.320 -4.701 1.00 0.00 H new ATOM 0 HA ASN A 53 4.149 -5.119 -2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.471 -5.184 -4.769 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.949 -3.657 -4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.628 -7.108 -2.796 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.610 -6.950 -4.232 1.00 0.00 H new ATOM 785 N CYS A 54 4.956 -2.406 -2.291 1.00 0.00 N ATOM 786 CA CYS A 54 4.855 -1.012 -1.870 1.00 0.00 C ATOM 787 C CYS A 54 5.170 -0.064 -3.024 1.00 0.00 C ATOM 788 O CYS A 54 5.831 -0.444 -3.990 1.00 0.00 O ATOM 789 CB CYS A 54 5.804 -0.740 -0.702 1.00 0.00 C ATOM 790 SG CYS A 54 5.743 -1.996 0.616 1.00 0.00 S ATOM 0 H CYS A 54 5.883 -2.814 -2.172 1.00 0.00 H new ATOM 0 HA CYS A 54 3.829 -0.833 -1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.823 -0.678 -1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.565 0.233 -0.273 1.00 0.00 H new ATOM 795 N CYS A 55 4.694 1.173 -2.912 1.00 0.00 N ATOM 796 CA CYS A 55 4.927 2.181 -3.941 1.00 0.00 C ATOM 797 C CYS A 55 5.323 3.513 -3.310 1.00 0.00 C ATOM 798 O CYS A 55 5.285 3.667 -2.090 1.00 0.00 O ATOM 799 CB CYS A 55 3.677 2.361 -4.805 1.00 0.00 C ATOM 800 SG CYS A 55 2.123 2.447 -3.861 1.00 0.00 S ATOM 0 H CYS A 55 4.144 1.501 -2.118 1.00 0.00 H new ATOM 0 HA CYS A 55 5.746 1.839 -4.574 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.783 3.273 -5.392 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.615 1.533 -5.511 1.00 0.00 H new ATOM 805 N THR A 56 5.703 4.472 -4.148 1.00 0.00 N ATOM 806 CA THR A 56 6.108 5.788 -3.664 1.00 0.00 C ATOM 807 C THR A 56 5.541 6.899 -4.544 1.00 0.00 C ATOM 808 O THR A 56 6.287 7.686 -5.125 1.00 0.00 O ATOM 809 CB THR A 56 7.634 5.886 -3.617 1.00 0.00 C ATOM 810 OG1 THR A 56 8.041 7.195 -3.261 1.00 0.00 O ATOM 811 CG2 THR A 56 8.296 5.542 -4.933 1.00 0.00 C ATOM 0 H THR A 56 5.739 4.364 -5.162 1.00 0.00 H new ATOM 0 HA THR A 56 5.708 5.914 -2.658 1.00 0.00 H new ATOM 0 HB THR A 56 7.948 5.157 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.764 7.385 -2.340 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.377 5.631 -4.831 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.041 4.520 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.947 6.227 -5.706 1.00 0.00 H new ATOM 819 N THR A 57 4.216 6.957 -4.637 1.00 0.00 N ATOM 820 CA THR A 57 3.553 7.975 -5.445 1.00 0.00 C ATOM 821 C THR A 57 2.157 8.275 -4.904 1.00 0.00 C ATOM 822 O THR A 57 1.534 7.430 -4.263 1.00 0.00 O ATOM 823 CB THR A 57 3.466 7.524 -6.903 1.00 0.00 C ATOM 824 OG1 THR A 57 3.574 6.116 -7.002 1.00 0.00 O ATOM 825 CG2 THR A 57 4.542 8.129 -7.780 1.00 0.00 C ATOM 0 H THR A 57 3.582 6.313 -4.164 1.00 0.00 H new ATOM 0 HA THR A 57 4.146 8.888 -5.393 1.00 0.00 H new ATOM 0 HB THR A 57 2.494 7.870 -7.254 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.514 5.849 -7.943 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.424 7.768 -8.802 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.455 9.215 -7.766 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.523 7.839 -7.404 1.00 0.00 H new ATOM 833 N ASP A 58 1.674 9.486 -5.169 1.00 0.00 N ATOM 834 CA ASP A 58 0.355 9.901 -4.712 1.00 0.00 C ATOM 835 C ASP A 58 -0.724 8.962 -5.242 1.00 0.00 C ATOM 836 O ASP A 58 -0.834 8.746 -6.448 1.00 0.00 O ATOM 837 CB ASP A 58 0.074 11.334 -5.166 1.00 0.00 C ATOM 838 CG ASP A 58 0.426 11.562 -6.623 1.00 0.00 C ATOM 839 OD1 ASP A 58 -0.210 10.933 -7.494 1.00 0.00 O ATOM 840 OD2 ASP A 58 1.340 12.370 -6.893 1.00 0.00 O ATOM 0 H ASP A 58 2.179 10.197 -5.699 1.00 0.00 H new ATOM 0 HA ASP A 58 0.338 9.859 -3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.981 11.560 -5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.643 12.026 -4.546 1.00 0.00 H new ATOM 845 N ARG A 59 -1.518 8.408 -4.332 1.00 0.00 N ATOM 846 CA ARG A 59 -2.588 7.489 -4.708 1.00 0.00 C ATOM 847 C ARG A 59 -2.038 6.307 -5.501 1.00 0.00 C ATOM 848 O ARG A 59 -2.741 5.712 -6.318 1.00 0.00 O ATOM 849 CB ARG A 59 -3.650 8.221 -5.533 1.00 0.00 C ATOM 850 CG ARG A 59 -4.398 9.289 -4.750 1.00 0.00 C ATOM 851 CD ARG A 59 -5.885 9.269 -5.063 1.00 0.00 C ATOM 852 NE ARG A 59 -6.505 10.576 -4.853 1.00 0.00 N ATOM 853 CZ ARG A 59 -6.425 11.582 -5.720 1.00 0.00 C ATOM 854 NH1 ARG A 59 -5.750 11.439 -6.854 1.00 0.00 N ATOM 855 NH2 ARG A 59 -7.022 12.736 -5.453 1.00 0.00 N ATOM 0 H ARG A 59 -1.442 8.579 -3.329 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.044 7.109 -3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.172 8.683 -6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.366 7.494 -5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.248 9.131 -3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.988 10.271 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.034 8.959 -6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.378 8.528 -4.434 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.030 10.726 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.289 10.554 -7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.693 12.214 -7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.542 12.852 -4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.961 13.508 -6.117 1.00 0.00 H new ATOM 869 N CYS A 60 -0.775 5.973 -5.254 1.00 0.00 N ATOM 870 CA CYS A 60 -0.126 4.868 -5.940 1.00 0.00 C ATOM 871 C CYS A 60 -0.785 3.536 -5.592 1.00 0.00 C ATOM 872 O CYS A 60 -0.661 2.561 -6.333 1.00 0.00 O ATOM 873 CB CYS A 60 1.357 4.835 -5.571 1.00 0.00 C ATOM 874 SG CYS A 60 1.684 4.430 -3.826 1.00 0.00 S ATOM 0 H CYS A 60 -0.181 6.456 -4.580 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.231 5.021 -7.014 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.861 4.103 -6.203 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.797 5.807 -5.795 1.00 0.00 H new ATOM 879 N ASN A 61 -1.483 3.498 -4.460 1.00 0.00 N ATOM 880 CA ASN A 61 -2.156 2.281 -4.021 1.00 0.00 C ATOM 881 C ASN A 61 -3.659 2.371 -4.270 1.00 0.00 C ATOM 882 O ASN A 61 -4.457 2.378 -3.332 1.00 0.00 O ATOM 883 CB ASN A 61 -1.883 2.030 -2.536 1.00 0.00 C ATOM 884 CG ASN A 61 -2.351 3.174 -1.659 1.00 0.00 C ATOM 885 OD1 ASN A 61 -3.093 4.050 -2.103 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.916 3.171 -0.404 1.00 0.00 N ATOM 0 H ASN A 61 -1.597 4.294 -3.832 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.761 1.446 -4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.383 1.112 -2.228 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.814 1.876 -2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.196 3.915 0.235 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.302 2.424 -0.079 1.00 0.00 H new ATOM 893 N ASN A 62 -4.038 2.439 -5.542 1.00 0.00 N ATOM 894 CA ASN A 62 -5.445 2.527 -5.917 1.00 0.00 C ATOM 895 C ASN A 62 -5.928 1.217 -6.531 1.00 0.00 C ATOM 896 O ASN A 62 -5.250 0.187 -6.334 1.00 0.00 O ATOM 897 CB ASN A 62 -5.661 3.676 -6.902 1.00 0.00 C ATOM 898 CG ASN A 62 -7.131 3.968 -7.136 1.00 0.00 C ATOM 899 OD1 ASN A 62 -8.001 3.387 -6.488 1.00 0.00 O ATOM 900 ND2 ASN A 62 -7.415 4.874 -8.065 1.00 0.00 N ATOM 901 OXT ASN A 62 -6.980 1.232 -7.205 1.00 0.00 O ATOM 0 H ASN A 62 -3.391 2.435 -6.330 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.024 2.719 -5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.171 4.573 -6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.186 3.431 -7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.386 5.112 -8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.662 5.331 -8.578 1.00 0.00 H new