USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 521 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 200 ASN : amide:sc= 0.556 X(o=0.85,f=0.44) USER MOD Set 1.2: A 202 THR OG1 : rot 53:sc= 0.298 USER MOD Set 2.1: A 190 HIS : no HD1:sc= -0.167 K(o=-3.5,f=-8.6!) USER MOD Set 2.2: A 216 MET CE :methyl -148:sc= -3.36! (180deg=-6.82!) USER MOD Set 3.1: A 174 ASN : amide:sc= -1.53 K(o=-1.5,f=-3.7!) USER MOD Set 3.2: A 177 ASN :FLIP amide:sc= 0 F(o=-2.4,f=-1.5) USER MOD Set 4.1: A 171 GLN : amide:sc= -8.73! C(o=-7.4!,f=-12!) USER MOD Set 4.2: A 175 GLN : amide:sc= 1.32 K(o=-7.4,f=-16!) USER MOD Single : A 172 TYR OH : rot 180:sc= 1.04 USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 180 HIS : no HD1:sc=-0.00627 X(o=-0.0063,f=-0.067) USER MOD Single : A 184 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.6!) USER MOD Single : A 186 THR OG1 : rot -100:sc= -0.0845 USER MOD Single : A 188 LYS NZ :NH3+ -161:sc= -0.031 (180deg=-0.235) USER MOD Single : A 189 GLN :FLIP amide:sc= -0.249 F(o=-2.4!,f=-0.25) USER MOD Single : A 191 THR OG1 : rot -68:sc= 1.21 USER MOD Single : A 193 THR OG1 : rot 70:sc= 0.332 USER MOD Single : A 194 THR OG1 : rot 123:sc= 1.24 USER MOD Single : A 195 THR OG1 : rot -61:sc= 1.16 USER MOD Single : A 196 THR OG1 : rot 13:sc= 0.319 USER MOD Single : A 197 LYS NZ :NH3+ 144:sc= 0.702 (180deg=0.318) USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 LYS NZ :NH3+ 161:sc= -0.0733 (180deg=-0.671) USER MOD Single : A 209 MET CE :methyl -145:sc= -16.7! (180deg=-19.3!) USER MOD Single : A 215 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.21) USER MOD Single : A 219 THR OG1 : rot 91:sc= 1.28 USER MOD Single : A 220 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.22) USER MOD Single : A 221 TYR OH : rot 180:sc= 0 USER MOD Single : A 222 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.9) USER MOD Single : A 225 SER OG : rot -75:sc= 0.854 USER MOD Single : A 226 GLN : amide:sc= -0.0432 X(o=-0.043,f=-0.45) USER MOD Single : A 228 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 TYR OH : rot 180:sc= 0 USER MOD Single : A 230 GLN : amide:sc= -1.47 K(o=-1.5,f=-6.7!) USER MOD Single : A 234 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 167 21.688 3.950 0.976 1.00 0.00 N ATOM 2 CA ARG A 167 20.466 4.286 1.743 1.00 0.00 C ATOM 3 C ARG A 167 19.305 3.403 1.326 1.00 0.00 C ATOM 4 O ARG A 167 18.868 3.441 0.179 1.00 0.00 O ATOM 5 CB ARG A 167 20.075 5.745 1.541 1.00 0.00 C ATOM 6 CG ARG A 167 20.915 6.726 2.332 1.00 0.00 C ATOM 7 CD ARG A 167 20.420 8.145 2.127 1.00 0.00 C ATOM 8 NE ARG A 167 20.644 8.605 0.754 1.00 0.00 N ATOM 9 CZ ARG A 167 20.621 9.883 0.380 1.00 0.00 C ATOM 10 NH1 ARG A 167 20.421 10.839 1.279 1.00 0.00 N ATOM 11 NH2 ARG A 167 20.812 10.202 -0.893 1.00 0.00 N ATOM 0 HA ARG A 167 20.690 4.117 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 167 20.154 5.988 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 167 19.029 5.872 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 167 20.878 6.472 3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 167 21.958 6.651 2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 167 19.356 8.196 2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 167 20.930 8.812 2.822 1.00 0.00 H new ATOM 0 HE ARG A 167 20.829 7.902 0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 167 20.284 10.596 2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 167 20.404 11.817 0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 167 20.976 9.469 -1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 167 20.795 11.180 -1.182 1.00 0.00 H new ATOM 25 N PRO A 168 18.780 2.609 2.264 1.00 0.00 N ATOM 26 CA PRO A 168 17.650 1.717 2.017 1.00 0.00 C ATOM 27 C PRO A 168 16.316 2.457 1.937 1.00 0.00 C ATOM 28 O PRO A 168 15.352 2.078 2.598 1.00 0.00 O ATOM 29 CB PRO A 168 17.658 0.761 3.223 1.00 0.00 C ATOM 30 CG PRO A 168 18.888 1.091 4.004 1.00 0.00 C ATOM 31 CD PRO A 168 19.259 2.497 3.641 1.00 0.00 C ATOM 0 HA PRO A 168 17.751 1.211 1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 168 16.763 0.893 3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 168 17.671 -0.279 2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 168 18.703 1.003 5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 168 19.697 0.402 3.763 1.00 0.00 H new ATOM 0 HD2 PRO A 168 18.781 3.224 4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 168 20.334 2.663 3.711 1.00 0.00 H new ATOM 39 N VAL A 169 16.276 3.527 1.152 1.00 0.00 N ATOM 40 CA VAL A 169 15.022 4.211 0.867 1.00 0.00 C ATOM 41 C VAL A 169 14.734 4.189 -0.623 1.00 0.00 C ATOM 42 O VAL A 169 14.099 5.102 -1.168 1.00 0.00 O ATOM 43 CB VAL A 169 14.942 5.670 1.354 1.00 0.00 C ATOM 44 CG1 VAL A 169 15.266 5.810 2.826 1.00 0.00 C ATOM 45 CG2 VAL A 169 15.833 6.573 0.520 1.00 0.00 C ATOM 0 H VAL A 169 17.095 3.938 0.703 1.00 0.00 H new ATOM 0 HA VAL A 169 14.276 3.653 1.433 1.00 0.00 H new ATOM 0 HB VAL A 169 13.907 5.986 1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 169 15.195 6.858 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 169 14.559 5.222 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 169 16.278 5.450 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 169 15.757 7.597 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 169 16.867 6.236 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 169 15.516 6.535 -0.522 1.00 0.00 H new ATOM 55 N ASP A 170 15.217 3.152 -1.291 1.00 0.00 N ATOM 56 CA ASP A 170 15.066 3.035 -2.736 1.00 0.00 C ATOM 57 C ASP A 170 13.580 2.984 -3.124 1.00 0.00 C ATOM 58 O ASP A 170 13.233 2.919 -4.305 1.00 0.00 O ATOM 59 CB ASP A 170 15.806 1.795 -3.243 1.00 0.00 C ATOM 60 CG ASP A 170 16.159 1.878 -4.715 1.00 0.00 C ATOM 61 OD1 ASP A 170 16.980 2.748 -5.086 1.00 0.00 O ATOM 62 OD2 ASP A 170 15.667 1.049 -5.503 1.00 0.00 O ATOM 0 H ASP A 170 15.718 2.377 -0.856 1.00 0.00 H new ATOM 0 HA ASP A 170 15.504 3.915 -3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 170 16.719 1.661 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 170 15.187 0.914 -3.072 1.00 0.00 H new ATOM 67 N GLN A 171 12.718 3.039 -2.103 1.00 0.00 N ATOM 68 CA GLN A 171 11.292 3.255 -2.271 1.00 0.00 C ATOM 69 C GLN A 171 11.049 4.496 -3.139 1.00 0.00 C ATOM 70 O GLN A 171 10.173 4.497 -3.998 1.00 0.00 O ATOM 71 CB GLN A 171 10.626 3.427 -0.872 1.00 0.00 C ATOM 72 CG GLN A 171 9.570 4.514 -0.811 1.00 0.00 C ATOM 73 CD GLN A 171 10.161 5.883 -0.537 1.00 0.00 C ATOM 74 OE1 GLN A 171 11.148 6.020 0.180 1.00 0.00 O ATOM 75 NE2 GLN A 171 9.604 6.899 -1.159 1.00 0.00 N ATOM 0 H GLN A 171 13.002 2.933 -1.129 1.00 0.00 H new ATOM 0 HA GLN A 171 10.849 2.394 -2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 171 10.173 2.480 -0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 171 11.401 3.649 -0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 171 9.025 4.540 -1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 171 8.848 4.271 -0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 171 8.784 6.750 -1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 171 9.992 7.836 -1.053 1.00 0.00 H new ATOM 84 N TYR A 172 11.848 5.543 -2.921 1.00 0.00 N ATOM 85 CA TYR A 172 11.637 6.822 -3.598 1.00 0.00 C ATOM 86 C TYR A 172 12.355 6.861 -4.935 1.00 0.00 C ATOM 87 O TYR A 172 11.798 7.306 -5.942 1.00 0.00 O ATOM 88 CB TYR A 172 12.117 7.982 -2.722 1.00 0.00 C ATOM 89 CG TYR A 172 11.744 9.342 -3.267 1.00 0.00 C ATOM 90 CD1 TYR A 172 10.434 9.795 -3.201 1.00 0.00 C ATOM 91 CD2 TYR A 172 12.698 10.168 -3.850 1.00 0.00 C ATOM 92 CE1 TYR A 172 10.082 11.033 -3.698 1.00 0.00 C ATOM 93 CE2 TYR A 172 12.353 11.410 -4.350 1.00 0.00 C ATOM 94 CZ TYR A 172 11.044 11.837 -4.271 1.00 0.00 C ATOM 95 OH TYR A 172 10.691 13.073 -4.765 1.00 0.00 O ATOM 0 H TYR A 172 12.644 5.530 -2.283 1.00 0.00 H new ATOM 0 HA TYR A 172 10.567 6.927 -3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 172 11.695 7.871 -1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 172 13.201 7.925 -2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 172 9.677 9.168 -2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 172 13.723 9.835 -3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 172 9.058 11.371 -3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 172 13.104 12.042 -4.800 1.00 0.00 H new ATOM 0 HH TYR A 172 11.483 13.516 -5.135 1.00 0.00 H new ATOM 105 N SER A 173 13.599 6.413 -4.928 1.00 0.00 N ATOM 106 CA SER A 173 14.399 6.349 -6.142 1.00 0.00 C ATOM 107 C SER A 173 13.668 5.588 -7.250 1.00 0.00 C ATOM 108 O SER A 173 13.714 5.974 -8.419 1.00 0.00 O ATOM 109 CB SER A 173 15.733 5.673 -5.836 1.00 0.00 C ATOM 110 OG SER A 173 16.391 6.324 -4.761 1.00 0.00 O ATOM 0 H SER A 173 14.080 6.086 -4.090 1.00 0.00 H new ATOM 0 HA SER A 173 14.573 7.366 -6.494 1.00 0.00 H new ATOM 0 HB2 SER A 173 15.566 4.625 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 173 16.367 5.692 -6.722 1.00 0.00 H new ATOM 0 HG SER A 173 17.243 5.875 -4.579 1.00 0.00 H new ATOM 116 N ASN A 174 12.983 4.519 -6.873 1.00 0.00 N ATOM 117 CA ASN A 174 12.265 3.687 -7.829 1.00 0.00 C ATOM 118 C ASN A 174 10.750 3.831 -7.637 1.00 0.00 C ATOM 119 O ASN A 174 9.989 2.926 -7.975 1.00 0.00 O ATOM 120 CB ASN A 174 12.709 2.226 -7.675 1.00 0.00 C ATOM 121 CG ASN A 174 12.297 1.350 -8.845 1.00 0.00 C ATOM 122 OD1 ASN A 174 12.107 1.831 -9.964 1.00 0.00 O ATOM 123 ND2 ASN A 174 12.178 0.053 -8.598 1.00 0.00 N ATOM 0 H ASN A 174 12.909 4.205 -5.905 1.00 0.00 H new ATOM 0 HA ASN A 174 12.501 4.016 -8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 174 13.793 2.192 -7.568 1.00 0.00 H new ATOM 0 HB3 ASN A 174 12.285 1.819 -6.757 1.00 0.00 H new ATOM 0 HD21 ASN A 174 11.920 -0.588 -9.349 1.00 0.00 H new ATOM 0 HD22 ASN A 174 12.344 -0.304 -7.657 1.00 0.00 H new ATOM 130 N GLN A 175 10.334 4.984 -7.095 1.00 0.00 N ATOM 131 CA GLN A 175 8.939 5.239 -6.686 1.00 0.00 C ATOM 132 C GLN A 175 7.908 4.742 -7.704 1.00 0.00 C ATOM 133 O GLN A 175 6.966 4.054 -7.332 1.00 0.00 O ATOM 134 CB GLN A 175 8.724 6.740 -6.449 1.00 0.00 C ATOM 135 CG GLN A 175 7.341 7.106 -5.906 1.00 0.00 C ATOM 136 CD GLN A 175 7.125 6.661 -4.467 1.00 0.00 C ATOM 137 OE1 GLN A 175 8.073 6.556 -3.689 1.00 0.00 O ATOM 138 NE2 GLN A 175 5.872 6.438 -4.080 1.00 0.00 N ATOM 0 H GLN A 175 10.957 5.773 -6.925 1.00 0.00 H new ATOM 0 HA GLN A 175 8.785 4.677 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 175 9.481 7.096 -5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 175 8.883 7.270 -7.388 1.00 0.00 H new ATOM 0 HG2 GLN A 175 7.207 8.186 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 175 6.578 6.652 -6.538 1.00 0.00 H new ATOM 0 HE21 GLN A 175 5.107 6.533 -4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 175 5.676 6.172 -3.115 1.00 0.00 H new ATOM 147 N ASN A 176 8.085 5.076 -8.977 1.00 0.00 N ATOM 148 CA ASN A 176 7.087 4.738 -9.996 1.00 0.00 C ATOM 149 C ASN A 176 6.904 3.228 -10.120 1.00 0.00 C ATOM 150 O ASN A 176 5.782 2.724 -10.044 1.00 0.00 O ATOM 151 CB ASN A 176 7.481 5.325 -11.356 1.00 0.00 C ATOM 152 CG ASN A 176 7.548 6.839 -11.339 1.00 0.00 C ATOM 153 OD1 ASN A 176 8.586 7.424 -11.024 1.00 0.00 O ATOM 154 ND2 ASN A 176 6.446 7.487 -11.685 1.00 0.00 N ATOM 0 H ASN A 176 8.901 5.576 -9.330 1.00 0.00 H new ATOM 0 HA ASN A 176 6.139 5.174 -9.679 1.00 0.00 H new ATOM 0 HB2 ASN A 176 8.451 4.925 -11.653 1.00 0.00 H new ATOM 0 HB3 ASN A 176 6.760 5.005 -12.108 1.00 0.00 H new ATOM 0 HD21 ASN A 176 6.437 8.507 -11.697 1.00 0.00 H new ATOM 0 HD22 ASN A 176 5.607 6.966 -11.939 1.00 0.00 H new ATOM 161 N ASN A 177 8.003 2.508 -10.290 1.00 0.00 N ATOM 162 CA ASN A 177 7.956 1.052 -10.377 1.00 0.00 C ATOM 163 C ASN A 177 7.551 0.459 -9.034 1.00 0.00 C ATOM 164 O ASN A 177 6.860 -0.558 -8.970 1.00 0.00 O ATOM 165 CB ASN A 177 9.314 0.499 -10.812 1.00 0.00 C ATOM 166 CG ASN A 177 9.357 -1.019 -10.832 1.00 0.00 C ATOM 167 OD1 ASN A 177 9.787 -1.616 -9.731 1.00 0.00 O flip ATOM 168 ND2 ASN A 177 9.015 -1.647 -11.832 1.00 0.00 N flip ATOM 0 H ASN A 177 8.939 2.906 -10.371 1.00 0.00 H new ATOM 0 HA ASN A 177 7.213 0.772 -11.123 1.00 0.00 H new ATOM 0 HB2 ASN A 177 9.553 0.877 -11.806 1.00 0.00 H new ATOM 0 HB3 ASN A 177 10.085 0.870 -10.136 1.00 0.00 H new ATOM 0 HD21 ASN A 177 8.689 -1.149 -12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 177 9.057 -2.666 -11.833 1.00 0.00 H new ATOM 175 N PHE A 178 7.989 1.117 -7.966 1.00 0.00 N ATOM 176 CA PHE A 178 7.628 0.741 -6.607 1.00 0.00 C ATOM 177 C PHE A 178 6.112 0.729 -6.443 1.00 0.00 C ATOM 178 O PHE A 178 5.544 -0.228 -5.920 1.00 0.00 O ATOM 179 CB PHE A 178 8.286 1.722 -5.628 1.00 0.00 C ATOM 180 CG PHE A 178 7.731 1.704 -4.232 1.00 0.00 C ATOM 181 CD1 PHE A 178 6.648 2.503 -3.901 1.00 0.00 C ATOM 182 CD2 PHE A 178 8.297 0.908 -3.251 1.00 0.00 C ATOM 183 CE1 PHE A 178 6.140 2.507 -2.624 1.00 0.00 C ATOM 184 CE2 PHE A 178 7.790 0.908 -1.965 1.00 0.00 C ATOM 185 CZ PHE A 178 6.709 1.710 -1.653 1.00 0.00 C ATOM 0 H PHE A 178 8.606 1.928 -8.020 1.00 0.00 H new ATOM 0 HA PHE A 178 7.987 -0.266 -6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 178 9.352 1.502 -5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 178 8.186 2.731 -6.028 1.00 0.00 H new ATOM 0 HD1 PHE A 178 6.198 3.130 -4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 178 9.143 0.281 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 178 5.295 3.134 -2.381 1.00 0.00 H new ATOM 0 HE2 PHE A 178 8.238 0.283 -1.206 1.00 0.00 H new ATOM 0 HZ PHE A 178 6.310 1.713 -0.649 1.00 0.00 H new ATOM 195 N VAL A 179 5.470 1.795 -6.907 1.00 0.00 N ATOM 196 CA VAL A 179 4.019 1.905 -6.857 1.00 0.00 C ATOM 197 C VAL A 179 3.373 0.751 -7.611 1.00 0.00 C ATOM 198 O VAL A 179 2.467 0.107 -7.102 1.00 0.00 O ATOM 199 CB VAL A 179 3.518 3.260 -7.427 1.00 0.00 C ATOM 200 CG1 VAL A 179 1.994 3.317 -7.458 1.00 0.00 C ATOM 201 CG2 VAL A 179 4.060 4.415 -6.601 1.00 0.00 C ATOM 0 H VAL A 179 5.937 2.600 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 179 3.727 1.859 -5.808 1.00 0.00 H new ATOM 0 HB VAL A 179 3.885 3.346 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.674 4.278 -7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.613 2.513 -8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.605 3.201 -6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 179 3.700 5.358 -7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 179 3.720 4.316 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 179 5.150 4.401 -6.626 1.00 0.00 H new ATOM 211 N HIS A 180 3.869 0.462 -8.802 1.00 0.00 N ATOM 212 CA HIS A 180 3.315 -0.626 -9.598 1.00 0.00 C ATOM 213 C HIS A 180 3.473 -1.966 -8.879 1.00 0.00 C ATOM 214 O HIS A 180 2.488 -2.640 -8.582 1.00 0.00 O ATOM 215 CB HIS A 180 3.987 -0.696 -10.972 1.00 0.00 C ATOM 216 CG HIS A 180 3.740 0.505 -11.835 1.00 0.00 C ATOM 217 ND1 HIS A 180 4.744 1.064 -12.589 1.00 0.00 N ATOM 218 CD2 HIS A 180 2.593 1.192 -12.047 1.00 0.00 C ATOM 219 CE1 HIS A 180 4.192 2.069 -13.241 1.00 0.00 C ATOM 220 NE2 HIS A 180 2.888 2.186 -12.945 1.00 0.00 N ATOM 0 H HIS A 180 4.646 0.958 -9.238 1.00 0.00 H new ATOM 0 HA HIS A 180 2.253 -0.424 -9.735 1.00 0.00 H new ATOM 0 HB2 HIS A 180 5.061 -0.816 -10.834 1.00 0.00 H new ATOM 0 HB3 HIS A 180 3.632 -1.585 -11.494 1.00 0.00 H new ATOM 0 HD2 HIS A 180 1.631 0.995 -11.596 1.00 0.00 H new ATOM 0 HE1 HIS A 180 4.722 2.715 -13.925 1.00 0.00 H new ATOM 0 HE2 HIS A 180 2.240 2.881 -13.317 1.00 0.00 H new ATOM 227 N ASP A 181 4.715 -2.329 -8.579 1.00 0.00 N ATOM 228 CA ASP A 181 5.021 -3.633 -7.989 1.00 0.00 C ATOM 229 C ASP A 181 4.376 -3.812 -6.618 1.00 0.00 C ATOM 230 O ASP A 181 3.705 -4.818 -6.368 1.00 0.00 O ATOM 231 CB ASP A 181 6.535 -3.825 -7.871 1.00 0.00 C ATOM 232 CG ASP A 181 6.899 -5.059 -7.065 1.00 0.00 C ATOM 233 OD1 ASP A 181 6.884 -6.172 -7.632 1.00 0.00 O ATOM 234 OD2 ASP A 181 7.209 -4.918 -5.863 1.00 0.00 O ATOM 0 H ASP A 181 5.532 -1.738 -8.734 1.00 0.00 H new ATOM 0 HA ASP A 181 4.605 -4.388 -8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 181 6.968 -3.905 -8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 181 6.975 -2.945 -7.402 1.00 0.00 H new ATOM 239 N CYS A 182 4.576 -2.840 -5.737 1.00 0.00 N ATOM 240 CA CYS A 182 4.112 -2.951 -4.361 1.00 0.00 C ATOM 241 C CYS A 182 2.598 -2.964 -4.306 1.00 0.00 C ATOM 242 O CYS A 182 2.019 -3.833 -3.661 1.00 0.00 O ATOM 243 CB CYS A 182 4.687 -1.813 -3.504 1.00 0.00 C ATOM 244 SG CYS A 182 4.572 -2.083 -1.704 1.00 0.00 S ATOM 0 H CYS A 182 5.056 -1.966 -5.951 1.00 0.00 H new ATOM 0 HA CYS A 182 4.470 -3.895 -3.951 1.00 0.00 H new ATOM 0 HB2 CYS A 182 5.734 -1.669 -3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 182 4.165 -0.889 -3.753 1.00 0.00 H new ATOM 249 N VAL A 183 1.949 -2.035 -4.996 1.00 0.00 N ATOM 250 CA VAL A 183 0.495 -1.989 -4.983 1.00 0.00 C ATOM 251 C VAL A 183 -0.075 -3.278 -5.550 1.00 0.00 C ATOM 252 O VAL A 183 -1.083 -3.775 -5.074 1.00 0.00 O ATOM 253 CB VAL A 183 -0.059 -0.776 -5.754 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.579 -0.806 -5.821 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.416 0.502 -5.094 1.00 0.00 C ATOM 0 H VAL A 183 2.398 -1.315 -5.562 1.00 0.00 H new ATOM 0 HA VAL A 183 0.184 -1.880 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 183 0.314 -0.818 -6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -1.936 0.064 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -1.903 -1.715 -6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -1.988 -0.789 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 183 0.024 1.361 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.061 0.533 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.506 0.533 -5.103 1.00 0.00 H new ATOM 265 N ASN A 184 0.590 -3.838 -6.547 1.00 0.00 N ATOM 266 CA ASN A 184 0.166 -5.134 -7.077 1.00 0.00 C ATOM 267 C ASN A 184 0.190 -6.202 -5.988 1.00 0.00 C ATOM 268 O ASN A 184 -0.838 -6.802 -5.694 1.00 0.00 O ATOM 269 CB ASN A 184 1.027 -5.593 -8.257 1.00 0.00 C ATOM 270 CG ASN A 184 0.680 -4.885 -9.553 1.00 0.00 C ATOM 271 OD1 ASN A 184 -0.438 -4.406 -9.735 1.00 0.00 O ATOM 272 ND2 ASN A 184 1.627 -4.840 -10.478 1.00 0.00 N ATOM 0 H ASN A 184 1.408 -3.431 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 184 -0.854 -5.000 -7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 184 2.077 -5.418 -8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 184 0.905 -6.668 -8.392 1.00 0.00 H new ATOM 0 HD21 ASN A 184 1.441 -4.397 -11.378 1.00 0.00 H new ATOM 0 HD22 ASN A 184 2.543 -5.248 -10.291 1.00 0.00 H new ATOM 279 N ILE A 185 1.343 -6.407 -5.356 1.00 0.00 N ATOM 280 CA ILE A 185 1.479 -7.449 -4.337 1.00 0.00 C ATOM 281 C ILE A 185 0.544 -7.204 -3.162 1.00 0.00 C ATOM 282 O ILE A 185 -0.018 -8.143 -2.598 1.00 0.00 O ATOM 283 CB ILE A 185 2.939 -7.620 -3.837 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.485 -6.363 -3.157 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.845 -8.020 -4.986 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.354 -6.375 -1.645 1.00 0.00 C ATOM 0 H ILE A 185 2.193 -5.870 -5.529 1.00 0.00 H new ATOM 0 HA ILE A 185 1.194 -8.382 -4.824 1.00 0.00 H new ATOM 0 HB ILE A 185 2.923 -8.410 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.537 -6.247 -3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 185 2.961 -5.492 -3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.866 -8.136 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 185 3.501 -8.964 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.820 -7.248 -5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 185 3.763 -5.451 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 185 2.302 -6.458 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 185 3.903 -7.225 -1.239 1.00 0.00 H new ATOM 298 N THR A 186 0.371 -5.948 -2.793 1.00 0.00 N ATOM 299 CA THR A 186 -0.596 -5.608 -1.758 1.00 0.00 C ATOM 300 C THR A 186 -2.033 -5.826 -2.216 1.00 0.00 C ATOM 301 O THR A 186 -2.894 -6.146 -1.398 1.00 0.00 O ATOM 302 CB THR A 186 -0.407 -4.190 -1.195 1.00 0.00 C ATOM 303 OG1 THR A 186 0.003 -3.293 -2.221 1.00 0.00 O ATOM 304 CG2 THR A 186 0.610 -4.193 -0.062 1.00 0.00 C ATOM 0 H THR A 186 0.878 -5.155 -3.186 1.00 0.00 H new ATOM 0 HA THR A 186 -0.398 -6.301 -0.940 1.00 0.00 H new ATOM 0 HB THR A 186 -1.365 -3.852 -0.801 1.00 0.00 H new ATOM 0 HG1 THR A 186 0.971 -3.151 -2.164 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.729 -3.180 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.262 -4.846 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.568 -4.555 -0.434 1.00 0.00 H new ATOM 312 N VAL A 187 -2.310 -5.654 -3.503 1.00 0.00 N ATOM 313 CA VAL A 187 -3.619 -6.015 -4.022 1.00 0.00 C ATOM 314 C VAL A 187 -3.828 -7.509 -3.862 1.00 0.00 C ATOM 315 O VAL A 187 -4.889 -7.954 -3.426 1.00 0.00 O ATOM 316 CB VAL A 187 -3.833 -5.627 -5.509 1.00 0.00 C ATOM 317 CG1 VAL A 187 -5.063 -6.324 -6.074 1.00 0.00 C ATOM 318 CG2 VAL A 187 -3.986 -4.124 -5.663 1.00 0.00 C ATOM 0 H VAL A 187 -1.660 -5.275 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.348 -5.447 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 187 -2.952 -5.949 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.196 -6.039 -7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.932 -7.404 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.943 -6.029 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.135 -3.879 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -4.847 -3.785 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -3.087 -3.627 -5.299 1.00 0.00 H new ATOM 328 N LYS A 188 -2.796 -8.279 -4.197 1.00 0.00 N ATOM 329 CA LYS A 188 -2.824 -9.713 -3.994 1.00 0.00 C ATOM 330 C LYS A 188 -3.143 -10.010 -2.530 1.00 0.00 C ATOM 331 O LYS A 188 -4.002 -10.827 -2.222 1.00 0.00 O ATOM 332 CB LYS A 188 -1.478 -10.349 -4.376 1.00 0.00 C ATOM 333 CG LYS A 188 -1.311 -10.719 -5.852 1.00 0.00 C ATOM 334 CD LYS A 188 -0.976 -9.523 -6.740 1.00 0.00 C ATOM 335 CE LYS A 188 -2.225 -8.855 -7.298 1.00 0.00 C ATOM 336 NZ LYS A 188 -2.931 -9.708 -8.293 1.00 0.00 N ATOM 0 H LYS A 188 -1.932 -7.928 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.595 -10.142 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -0.680 -9.659 -4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.340 -11.249 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -0.521 -11.465 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.231 -11.182 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -0.402 -8.795 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 188 -0.342 -9.850 -7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 188 -2.904 -8.620 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -1.950 -7.909 -7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -3.563 -9.117 -8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -2.234 -10.173 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -3.491 -10.430 -7.796 1.00 0.00 H new ATOM 350 N GLN A 189 -2.459 -9.299 -1.642 1.00 0.00 N ATOM 351 CA GLN A 189 -2.674 -9.414 -0.203 1.00 0.00 C ATOM 352 C GLN A 189 -4.124 -9.138 0.176 1.00 0.00 C ATOM 353 O GLN A 189 -4.785 -9.974 0.793 1.00 0.00 O ATOM 354 CB GLN A 189 -1.758 -8.427 0.520 1.00 0.00 C ATOM 355 CG GLN A 189 -1.831 -8.502 2.031 1.00 0.00 C ATOM 356 CD GLN A 189 -0.603 -7.898 2.671 1.00 0.00 C ATOM 357 OE1 GLN A 189 0.527 -8.045 1.995 1.00 0.00 O flip ATOM 358 NE2 GLN A 189 -0.661 -7.333 3.761 1.00 0.00 N flip ATOM 0 H GLN A 189 -1.738 -8.625 -1.899 1.00 0.00 H new ATOM 0 HA GLN A 189 -2.443 -10.437 0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -0.729 -8.608 0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -2.013 -7.415 0.205 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -2.721 -7.978 2.381 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -1.931 -9.542 2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 189 -1.556 -7.245 4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 189 0.186 -6.952 4.184 1.00 0.00 H new ATOM 367 N HIS A 190 -4.613 -7.971 -0.211 1.00 0.00 N ATOM 368 CA HIS A 190 -5.932 -7.521 0.200 1.00 0.00 C ATOM 369 C HIS A 190 -7.018 -8.416 -0.382 1.00 0.00 C ATOM 370 O HIS A 190 -7.983 -8.759 0.304 1.00 0.00 O ATOM 371 CB HIS A 190 -6.158 -6.077 -0.230 1.00 0.00 C ATOM 372 CG HIS A 190 -6.798 -5.231 0.828 1.00 0.00 C ATOM 373 ND1 HIS A 190 -8.072 -4.742 0.689 1.00 0.00 N ATOM 374 CD2 HIS A 190 -6.286 -4.799 2.006 1.00 0.00 C ATOM 375 CE1 HIS A 190 -8.307 -4.025 1.772 1.00 0.00 C ATOM 376 NE2 HIS A 190 -7.253 -4.030 2.601 1.00 0.00 N ATOM 0 H HIS A 190 -4.113 -7.316 -0.812 1.00 0.00 H new ATOM 0 HA HIS A 190 -5.985 -7.579 1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -5.201 -5.635 -0.508 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -6.785 -6.066 -1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -5.305 -5.018 2.400 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -9.231 -3.501 1.966 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -7.184 -3.554 3.500 1.00 0.00 H new ATOM 383 N THR A 191 -6.853 -8.808 -1.642 1.00 0.00 N ATOM 384 CA THR A 191 -7.813 -9.691 -2.284 1.00 0.00 C ATOM 385 C THR A 191 -7.857 -11.040 -1.567 1.00 0.00 C ATOM 386 O THR A 191 -8.921 -11.642 -1.425 1.00 0.00 O ATOM 387 CB THR A 191 -7.516 -9.898 -3.783 1.00 0.00 C ATOM 388 OG1 THR A 191 -6.159 -10.301 -3.982 1.00 0.00 O ATOM 389 CG2 THR A 191 -7.785 -8.627 -4.569 1.00 0.00 C ATOM 0 H THR A 191 -6.069 -8.529 -2.232 1.00 0.00 H new ATOM 0 HA THR A 191 -8.787 -9.207 -2.212 1.00 0.00 H new ATOM 0 HB THR A 191 -8.178 -10.686 -4.143 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.561 -9.559 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.568 -8.798 -5.623 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.831 -8.343 -4.455 1.00 0.00 H new ATOM 0 HG23 THR A 191 -7.149 -7.825 -4.193 1.00 0.00 H new ATOM 397 N VAL A 192 -6.698 -11.496 -1.093 1.00 0.00 N ATOM 398 CA VAL A 192 -6.613 -12.721 -0.303 1.00 0.00 C ATOM 399 C VAL A 192 -7.335 -12.558 1.036 1.00 0.00 C ATOM 400 O VAL A 192 -8.079 -13.442 1.462 1.00 0.00 O ATOM 401 CB VAL A 192 -5.143 -13.148 -0.061 1.00 0.00 C ATOM 402 CG1 VAL A 192 -5.061 -14.230 1.006 1.00 0.00 C ATOM 403 CG2 VAL A 192 -4.526 -13.654 -1.352 1.00 0.00 C ATOM 0 H VAL A 192 -5.802 -11.032 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 192 -7.104 -13.507 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 192 -4.589 -12.276 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -4.019 -14.513 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -5.474 -13.851 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -5.631 -15.102 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -3.493 -13.951 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -5.092 -14.512 -1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -4.549 -12.862 -2.101 1.00 0.00 H new ATOM 413 N THR A 193 -7.128 -11.423 1.688 1.00 0.00 N ATOM 414 CA THR A 193 -7.819 -11.124 2.937 1.00 0.00 C ATOM 415 C THR A 193 -9.334 -11.093 2.712 1.00 0.00 C ATOM 416 O THR A 193 -10.116 -11.635 3.496 1.00 0.00 O ATOM 417 CB THR A 193 -7.347 -9.778 3.521 1.00 0.00 C ATOM 418 OG1 THR A 193 -5.913 -9.724 3.509 1.00 0.00 O ATOM 419 CG2 THR A 193 -7.848 -9.595 4.947 1.00 0.00 C ATOM 0 H THR A 193 -6.488 -10.693 1.374 1.00 0.00 H new ATOM 0 HA THR A 193 -7.580 -11.912 3.651 1.00 0.00 H new ATOM 0 HB THR A 193 -7.755 -8.976 2.905 1.00 0.00 H new ATOM 0 HG1 THR A 193 -5.596 -9.652 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 193 -7.500 -8.637 5.335 1.00 0.00 H new ATOM 0 HG22 THR A 193 -8.938 -9.616 4.955 1.00 0.00 H new ATOM 0 HG23 THR A 193 -7.465 -10.401 5.573 1.00 0.00 H new ATOM 427 N THR A 194 -9.741 -10.498 1.609 1.00 0.00 N ATOM 428 CA THR A 194 -11.143 -10.442 1.259 1.00 0.00 C ATOM 429 C THR A 194 -11.630 -11.800 0.732 1.00 0.00 C ATOM 430 O THR A 194 -12.831 -12.054 0.626 1.00 0.00 O ATOM 431 CB THR A 194 -11.390 -9.327 0.238 1.00 0.00 C ATOM 432 OG1 THR A 194 -10.855 -8.099 0.750 1.00 0.00 O ATOM 433 CG2 THR A 194 -12.868 -9.149 -0.044 1.00 0.00 C ATOM 0 H THR A 194 -9.118 -10.046 0.939 1.00 0.00 H new ATOM 0 HA THR A 194 -11.717 -10.214 2.157 1.00 0.00 H new ATOM 0 HB THR A 194 -10.898 -9.601 -0.695 1.00 0.00 H new ATOM 0 HG1 THR A 194 -10.205 -7.735 0.114 1.00 0.00 H new ATOM 0 HG21 THR A 194 -13.006 -8.350 -0.772 1.00 0.00 H new ATOM 0 HG22 THR A 194 -13.277 -10.078 -0.442 1.00 0.00 H new ATOM 0 HG23 THR A 194 -13.386 -8.891 0.880 1.00 0.00 H new ATOM 441 N THR A 195 -10.700 -12.680 0.406 1.00 0.00 N ATOM 442 CA THR A 195 -11.050 -14.059 0.143 1.00 0.00 C ATOM 443 C THR A 195 -11.220 -14.797 1.464 1.00 0.00 C ATOM 444 O THR A 195 -12.008 -15.717 1.579 1.00 0.00 O ATOM 445 CB THR A 195 -9.991 -14.787 -0.707 1.00 0.00 C ATOM 446 OG1 THR A 195 -9.774 -14.093 -1.943 1.00 0.00 O ATOM 447 CG2 THR A 195 -10.437 -16.212 -0.995 1.00 0.00 C ATOM 0 H THR A 195 -9.707 -12.465 0.318 1.00 0.00 H new ATOM 0 HA THR A 195 -11.981 -14.054 -0.424 1.00 0.00 H new ATOM 0 HB THR A 195 -9.058 -14.809 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 195 -10.609 -14.068 -2.455 1.00 0.00 H new ATOM 0 HG21 THR A 195 -9.680 -16.716 -1.596 1.00 0.00 H new ATOM 0 HG22 THR A 195 -10.570 -16.748 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 195 -11.381 -16.195 -1.540 1.00 0.00 H new ATOM 455 N THR A 196 -10.500 -14.378 2.479 1.00 0.00 N ATOM 456 CA THR A 196 -10.576 -15.061 3.751 1.00 0.00 C ATOM 457 C THR A 196 -11.628 -14.437 4.668 1.00 0.00 C ATOM 458 O THR A 196 -11.869 -14.933 5.768 1.00 0.00 O ATOM 459 CB THR A 196 -9.204 -15.106 4.447 1.00 0.00 C ATOM 460 OG1 THR A 196 -8.628 -13.797 4.499 1.00 0.00 O ATOM 461 CG2 THR A 196 -8.258 -16.037 3.705 1.00 0.00 C ATOM 0 H THR A 196 -9.864 -13.581 2.452 1.00 0.00 H new ATOM 0 HA THR A 196 -10.884 -16.086 3.544 1.00 0.00 H new ATOM 0 HB THR A 196 -9.353 -15.478 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 196 -9.308 -13.131 4.267 1.00 0.00 H new ATOM 0 HG21 THR A 196 -7.293 -16.055 4.212 1.00 0.00 H new ATOM 0 HG22 THR A 196 -8.678 -17.043 3.687 1.00 0.00 H new ATOM 0 HG23 THR A 196 -8.124 -15.681 2.684 1.00 0.00 H new ATOM 469 N LYS A 197 -12.254 -13.343 4.227 1.00 0.00 N ATOM 470 CA LYS A 197 -13.418 -12.811 4.942 1.00 0.00 C ATOM 471 C LYS A 197 -14.684 -13.607 4.612 1.00 0.00 C ATOM 472 O LYS A 197 -15.776 -13.269 5.070 1.00 0.00 O ATOM 473 CB LYS A 197 -13.626 -11.300 4.676 1.00 0.00 C ATOM 474 CG LYS A 197 -13.844 -10.878 3.217 1.00 0.00 C ATOM 475 CD LYS A 197 -15.196 -11.317 2.662 1.00 0.00 C ATOM 476 CE LYS A 197 -15.587 -10.544 1.405 1.00 0.00 C ATOM 477 NZ LYS A 197 -15.994 -9.147 1.719 1.00 0.00 N ATOM 0 H LYS A 197 -11.983 -12.817 3.396 1.00 0.00 H new ATOM 0 HA LYS A 197 -13.215 -12.924 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -14.486 -10.968 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -12.757 -10.765 5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -13.762 -9.794 3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -13.051 -11.300 2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -15.164 -12.383 2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -15.962 -11.177 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -14.747 -10.530 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -16.407 -11.057 0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -15.675 -8.513 0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -17.030 -9.097 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -15.562 -8.853 2.618 1.00 0.00 H new ATOM 491 N GLY A 198 -14.535 -14.664 3.820 1.00 0.00 N ATOM 492 CA GLY A 198 -15.679 -15.485 3.460 1.00 0.00 C ATOM 493 C GLY A 198 -15.717 -15.847 1.986 1.00 0.00 C ATOM 494 O GLY A 198 -16.755 -16.271 1.481 1.00 0.00 O ATOM 0 H GLY A 198 -13.646 -14.967 3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -15.661 -16.400 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -16.595 -14.955 3.721 1.00 0.00 H new ATOM 498 N GLU A 199 -14.581 -15.680 1.308 1.00 0.00 N ATOM 499 CA GLU A 199 -14.428 -16.015 -0.109 1.00 0.00 C ATOM 500 C GLU A 199 -15.562 -15.434 -0.951 1.00 0.00 C ATOM 501 O GLU A 199 -16.314 -16.154 -1.608 1.00 0.00 O ATOM 502 CB GLU A 199 -14.326 -17.526 -0.295 1.00 0.00 C ATOM 503 CG GLU A 199 -13.308 -18.191 0.616 1.00 0.00 C ATOM 504 CD GLU A 199 -13.263 -19.689 0.437 1.00 0.00 C ATOM 505 OE1 GLU A 199 -14.228 -20.365 0.842 1.00 0.00 O ATOM 506 OE2 GLU A 199 -12.264 -20.197 -0.114 1.00 0.00 O ATOM 0 H GLU A 199 -13.732 -15.305 1.731 1.00 0.00 H new ATOM 0 HA GLU A 199 -13.501 -15.562 -0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -15.305 -17.971 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -14.064 -17.738 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -12.320 -17.775 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -13.548 -17.959 1.654 1.00 0.00 H new ATOM 513 N ASN A 200 -15.672 -14.120 -0.912 1.00 0.00 N ATOM 514 CA ASN A 200 -16.687 -13.407 -1.672 1.00 0.00 C ATOM 515 C ASN A 200 -16.028 -12.499 -2.690 1.00 0.00 C ATOM 516 O ASN A 200 -16.010 -12.815 -3.878 1.00 0.00 O ATOM 517 CB ASN A 200 -17.587 -12.592 -0.735 1.00 0.00 C ATOM 518 CG ASN A 200 -18.550 -11.686 -1.482 1.00 0.00 C ATOM 519 OD1 ASN A 200 -18.220 -10.547 -1.812 1.00 0.00 O ATOM 520 ND2 ASN A 200 -19.747 -12.180 -1.743 1.00 0.00 N ATOM 0 H ASN A 200 -15.065 -13.517 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 200 -17.307 -14.134 -2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -18.154 -13.273 -0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -16.964 -11.987 -0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -20.437 -11.612 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -19.981 -13.129 -1.452 1.00 0.00 H new ATOM 527 N PHE A 201 -15.447 -11.407 -2.183 1.00 0.00 N ATOM 528 CA PHE A 201 -14.836 -10.346 -2.987 1.00 0.00 C ATOM 529 C PHE A 201 -15.567 -10.079 -4.287 1.00 0.00 C ATOM 530 O PHE A 201 -15.373 -10.740 -5.307 1.00 0.00 O ATOM 531 CB PHE A 201 -13.335 -10.564 -3.213 1.00 0.00 C ATOM 532 CG PHE A 201 -12.927 -11.902 -3.775 1.00 0.00 C ATOM 533 CD1 PHE A 201 -12.849 -13.023 -2.963 1.00 0.00 C ATOM 534 CD2 PHE A 201 -12.598 -12.029 -5.114 1.00 0.00 C ATOM 535 CE1 PHE A 201 -12.455 -14.242 -3.480 1.00 0.00 C ATOM 536 CE2 PHE A 201 -12.206 -13.244 -5.635 1.00 0.00 C ATOM 537 CZ PHE A 201 -12.134 -14.353 -4.817 1.00 0.00 C ATOM 0 H PHE A 201 -15.388 -11.233 -1.180 1.00 0.00 H new ATOM 0 HA PHE A 201 -14.940 -9.441 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -12.975 -9.787 -3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -12.823 -10.423 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -13.099 -12.942 -1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -12.649 -11.164 -5.759 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -12.398 -15.108 -2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -11.956 -13.328 -6.682 1.00 0.00 H new ATOM 0 HZ PHE A 201 -11.827 -15.306 -5.223 1.00 0.00 H new ATOM 547 N THR A 202 -16.384 -9.063 -4.230 1.00 0.00 N ATOM 548 CA THR A 202 -17.133 -8.631 -5.349 1.00 0.00 C ATOM 549 C THR A 202 -16.355 -7.489 -5.978 1.00 0.00 C ATOM 550 O THR A 202 -15.443 -6.992 -5.332 1.00 0.00 O ATOM 551 CB THR A 202 -18.547 -8.170 -4.933 1.00 0.00 C ATOM 552 OG1 THR A 202 -19.115 -9.114 -4.017 1.00 0.00 O ATOM 553 CG2 THR A 202 -19.469 -8.035 -6.136 1.00 0.00 C ATOM 0 H THR A 202 -16.541 -8.512 -3.386 1.00 0.00 H new ATOM 0 HA THR A 202 -17.272 -9.448 -6.057 1.00 0.00 H new ATOM 0 HB THR A 202 -18.449 -7.193 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 202 -18.493 -9.265 -3.275 1.00 0.00 H new ATOM 0 HG21 THR A 202 -20.455 -7.709 -5.804 1.00 0.00 H new ATOM 0 HG22 THR A 202 -19.058 -7.301 -6.829 1.00 0.00 H new ATOM 0 HG23 THR A 202 -19.556 -8.999 -6.638 1.00 0.00 H new ATOM 561 N GLU A 203 -16.652 -7.067 -7.198 1.00 0.00 N ATOM 562 CA GLU A 203 -15.921 -5.936 -7.772 1.00 0.00 C ATOM 563 C GLU A 203 -15.946 -4.744 -6.820 1.00 0.00 C ATOM 564 O GLU A 203 -14.986 -3.980 -6.743 1.00 0.00 O ATOM 565 CB GLU A 203 -16.482 -5.532 -9.126 1.00 0.00 C ATOM 566 CG GLU A 203 -15.841 -4.267 -9.680 1.00 0.00 C ATOM 567 CD GLU A 203 -16.543 -3.728 -10.906 1.00 0.00 C ATOM 568 OE1 GLU A 203 -17.543 -4.333 -11.345 1.00 0.00 O ATOM 569 OE2 GLU A 203 -16.104 -2.682 -11.426 1.00 0.00 O ATOM 0 H GLU A 203 -17.370 -7.472 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 203 -14.889 -6.256 -7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -16.333 -6.348 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -17.558 -5.379 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -15.838 -3.500 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -14.800 -4.474 -9.928 1.00 0.00 H new ATOM 576 N THR A 204 -17.026 -4.633 -6.054 1.00 0.00 N ATOM 577 CA THR A 204 -17.129 -3.626 -5.021 1.00 0.00 C ATOM 578 C THR A 204 -15.978 -3.785 -4.039 1.00 0.00 C ATOM 579 O THR A 204 -15.335 -2.807 -3.655 1.00 0.00 O ATOM 580 CB THR A 204 -18.454 -3.783 -4.261 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.550 -3.744 -5.185 1.00 0.00 O ATOM 582 CG2 THR A 204 -18.615 -2.689 -3.222 1.00 0.00 C ATOM 0 H THR A 204 -17.845 -5.236 -6.136 1.00 0.00 H new ATOM 0 HA THR A 204 -17.091 -2.641 -5.486 1.00 0.00 H new ATOM 0 HB THR A 204 -18.446 -4.744 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.393 -3.846 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.561 -2.822 -2.697 1.00 0.00 H new ATOM 0 HG22 THR A 204 -17.793 -2.742 -2.508 1.00 0.00 H new ATOM 0 HG23 THR A 204 -18.606 -1.716 -3.714 1.00 0.00 H new ATOM 590 N ASP A 205 -15.699 -5.029 -3.679 1.00 0.00 N ATOM 591 CA ASP A 205 -14.611 -5.330 -2.776 1.00 0.00 C ATOM 592 C ASP A 205 -13.274 -5.063 -3.432 1.00 0.00 C ATOM 593 O ASP A 205 -12.537 -4.231 -2.951 1.00 0.00 O ATOM 594 CB ASP A 205 -14.637 -6.789 -2.309 1.00 0.00 C ATOM 595 CG ASP A 205 -15.796 -7.120 -1.402 1.00 0.00 C ATOM 596 OD1 ASP A 205 -15.661 -6.954 -0.169 1.00 0.00 O ATOM 597 OD2 ASP A 205 -16.835 -7.578 -1.914 1.00 0.00 O ATOM 0 H ASP A 205 -16.217 -5.846 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 205 -14.742 -4.679 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.675 -7.439 -3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.706 -7.010 -1.788 1.00 0.00 H new ATOM 602 N ILE A 206 -12.964 -5.743 -4.546 1.00 0.00 N ATOM 603 CA ILE A 206 -11.622 -5.670 -5.111 1.00 0.00 C ATOM 604 C ILE A 206 -11.233 -4.256 -5.528 1.00 0.00 C ATOM 605 O ILE A 206 -10.087 -3.850 -5.332 1.00 0.00 O ATOM 606 CB ILE A 206 -11.405 -6.653 -6.285 1.00 0.00 C ATOM 607 CG1 ILE A 206 -11.827 -8.069 -5.892 1.00 0.00 C ATOM 608 CG2 ILE A 206 -9.933 -6.675 -6.649 1.00 0.00 C ATOM 609 CD1 ILE A 206 -13.219 -8.472 -6.301 1.00 0.00 C ATOM 0 H ILE A 206 -13.615 -6.337 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 206 -10.961 -5.974 -4.299 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.008 -6.321 -7.130 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -11.121 -8.774 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -11.744 -8.166 -4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -9.773 -7.366 -7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -9.617 -5.675 -6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -9.350 -7.000 -5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -13.413 -9.493 -5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -13.943 -7.799 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -13.310 -8.416 -7.386 1.00 0.00 H new ATOM 621 N LYS A 207 -12.173 -3.493 -6.073 1.00 0.00 N ATOM 622 CA LYS A 207 -11.882 -2.109 -6.416 1.00 0.00 C ATOM 623 C LYS A 207 -11.582 -1.323 -5.146 1.00 0.00 C ATOM 624 O LYS A 207 -10.560 -0.656 -5.065 1.00 0.00 O ATOM 625 CB LYS A 207 -13.032 -1.486 -7.235 1.00 0.00 C ATOM 626 CG LYS A 207 -14.223 -0.987 -6.427 1.00 0.00 C ATOM 627 CD LYS A 207 -15.433 -0.783 -7.320 1.00 0.00 C ATOM 628 CE LYS A 207 -16.330 0.343 -6.824 1.00 0.00 C ATOM 629 NZ LYS A 207 -16.934 0.047 -5.498 1.00 0.00 N ATOM 0 H LYS A 207 -13.122 -3.801 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 207 -10.998 -2.072 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -12.632 -0.652 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -13.387 -2.227 -7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.462 -1.704 -5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -13.967 -0.049 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.101 -0.561 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.007 -1.708 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -15.750 1.263 -6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -17.124 0.518 -7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -17.260 0.932 -5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -17.742 -0.597 -5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -16.223 -0.402 -4.885 1.00 0.00 H new ATOM 643 N ALA A 208 -12.425 -1.470 -4.127 1.00 0.00 N ATOM 644 CA ALA A 208 -12.207 -0.790 -2.858 1.00 0.00 C ATOM 645 C ALA A 208 -10.898 -1.249 -2.226 1.00 0.00 C ATOM 646 O ALA A 208 -10.188 -0.460 -1.607 1.00 0.00 O ATOM 647 CB ALA A 208 -13.376 -1.029 -1.917 1.00 0.00 C ATOM 0 H ALA A 208 -13.262 -2.052 -4.157 1.00 0.00 H new ATOM 0 HA ALA A 208 -12.137 0.281 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -13.195 -0.513 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.291 -0.648 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.481 -2.098 -1.732 1.00 0.00 H new ATOM 653 N MET A 209 -10.580 -2.526 -2.417 1.00 0.00 N ATOM 654 CA MET A 209 -9.336 -3.099 -1.936 1.00 0.00 C ATOM 655 C MET A 209 -8.169 -2.345 -2.533 1.00 0.00 C ATOM 656 O MET A 209 -7.344 -1.820 -1.811 1.00 0.00 O ATOM 657 CB MET A 209 -9.217 -4.587 -2.303 1.00 0.00 C ATOM 658 CG MET A 209 -10.257 -5.487 -1.649 1.00 0.00 C ATOM 659 SD MET A 209 -9.871 -7.240 -1.854 1.00 0.00 S ATOM 660 CE MET A 209 -11.288 -7.866 -2.761 1.00 0.00 C ATOM 0 H MET A 209 -11.179 -3.188 -2.909 1.00 0.00 H new ATOM 0 HA MET A 209 -9.327 -3.015 -0.849 1.00 0.00 H new ATOM 0 HB2 MET A 209 -9.297 -4.688 -3.385 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.224 -4.938 -2.023 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.320 -5.253 -0.586 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.236 -5.280 -2.080 1.00 0.00 H new ATOM 0 HE1 MET A 209 -11.508 -8.883 -2.435 1.00 0.00 H new ATOM 0 HE2 MET A 209 -12.152 -7.229 -2.571 1.00 0.00 H new ATOM 0 HE3 MET A 209 -11.065 -7.867 -3.828 1.00 0.00 H new ATOM 670 N GLU A 210 -8.148 -2.263 -3.860 1.00 0.00 N ATOM 671 CA GLU A 210 -7.083 -1.579 -4.589 1.00 0.00 C ATOM 672 C GLU A 210 -6.861 -0.156 -4.092 1.00 0.00 C ATOM 673 O GLU A 210 -5.738 0.338 -4.107 1.00 0.00 O ATOM 674 CB GLU A 210 -7.392 -1.551 -6.087 1.00 0.00 C ATOM 675 CG GLU A 210 -7.346 -2.915 -6.750 1.00 0.00 C ATOM 676 CD GLU A 210 -7.413 -2.816 -8.257 1.00 0.00 C ATOM 677 OE1 GLU A 210 -8.295 -2.097 -8.771 1.00 0.00 O ATOM 678 OE2 GLU A 210 -6.565 -3.431 -8.937 1.00 0.00 O ATOM 0 H GLU A 210 -8.867 -2.668 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.168 -2.143 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.382 -1.119 -6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -6.679 -0.893 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -6.428 -3.428 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.177 -3.521 -6.389 1.00 0.00 H new ATOM 685 N ARG A 211 -7.925 0.502 -3.650 1.00 0.00 N ATOM 686 CA ARG A 211 -7.813 1.877 -3.159 1.00 0.00 C ATOM 687 C ARG A 211 -7.064 1.883 -1.837 1.00 0.00 C ATOM 688 O ARG A 211 -6.116 2.642 -1.629 1.00 0.00 O ATOM 689 CB ARG A 211 -9.195 2.515 -2.961 1.00 0.00 C ATOM 690 CG ARG A 211 -10.263 2.020 -3.922 1.00 0.00 C ATOM 691 CD ARG A 211 -9.808 2.058 -5.379 1.00 0.00 C ATOM 692 NE ARG A 211 -9.705 3.415 -5.908 1.00 0.00 N ATOM 693 CZ ARG A 211 -9.780 3.710 -7.203 1.00 0.00 C ATOM 694 NH1 ARG A 211 -9.928 2.744 -8.099 1.00 0.00 N ATOM 695 NH2 ARG A 211 -9.692 4.969 -7.607 1.00 0.00 N ATOM 0 H ARG A 211 -8.868 0.114 -3.620 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.270 2.460 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.526 2.324 -1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -9.101 3.596 -3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -10.538 0.999 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -11.159 2.631 -3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -8.839 1.566 -5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -10.510 1.488 -5.988 1.00 0.00 H new ATOM 0 HE ARG A 211 -9.568 4.180 -5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -9.985 1.772 -7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -9.985 2.973 -9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -9.566 5.716 -6.924 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -9.750 5.191 -8.601 1.00 0.00 H new ATOM 709 N VAL A 212 -7.508 1.018 -0.949 1.00 0.00 N ATOM 710 CA VAL A 212 -6.861 0.823 0.338 1.00 0.00 C ATOM 711 C VAL A 212 -5.429 0.347 0.143 1.00 0.00 C ATOM 712 O VAL A 212 -4.533 0.697 0.904 1.00 0.00 O ATOM 713 CB VAL A 212 -7.628 -0.219 1.174 1.00 0.00 C ATOM 714 CG1 VAL A 212 -7.067 -0.319 2.582 1.00 0.00 C ATOM 715 CG2 VAL A 212 -9.107 0.121 1.195 1.00 0.00 C ATOM 0 H VAL A 212 -8.327 0.429 -1.096 1.00 0.00 H new ATOM 0 HA VAL A 212 -6.859 1.778 0.864 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.502 -1.196 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -7.630 -1.063 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -6.019 -0.615 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -7.149 0.649 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -9.642 -0.620 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -9.247 1.108 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.495 0.120 0.176 1.00 0.00 H new ATOM 725 N VAL A 213 -5.245 -0.449 -0.895 1.00 0.00 N ATOM 726 CA VAL A 213 -3.963 -1.051 -1.230 1.00 0.00 C ATOM 727 C VAL A 213 -2.967 -0.040 -1.783 1.00 0.00 C ATOM 728 O VAL A 213 -1.801 -0.037 -1.378 1.00 0.00 O ATOM 729 CB VAL A 213 -4.146 -2.183 -2.253 1.00 0.00 C ATOM 730 CG1 VAL A 213 -2.818 -2.587 -2.845 1.00 0.00 C ATOM 731 CG2 VAL A 213 -4.812 -3.381 -1.609 1.00 0.00 C ATOM 0 H VAL A 213 -5.993 -0.701 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.559 -1.448 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 213 -4.787 -1.814 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -2.970 -3.390 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.367 -1.730 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -2.156 -2.934 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -4.933 -4.172 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.193 -3.744 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -5.790 -3.091 -1.225 1.00 0.00 H new ATOM 741 N GLU A 214 -3.402 0.800 -2.718 1.00 0.00 N ATOM 742 CA GLU A 214 -2.509 1.796 -3.283 1.00 0.00 C ATOM 743 C GLU A 214 -1.972 2.664 -2.157 1.00 0.00 C ATOM 744 O GLU A 214 -0.776 2.909 -2.067 1.00 0.00 O ATOM 745 CB GLU A 214 -3.201 2.641 -4.371 1.00 0.00 C ATOM 746 CG GLU A 214 -4.353 3.508 -3.880 1.00 0.00 C ATOM 747 CD GLU A 214 -4.996 4.318 -4.989 1.00 0.00 C ATOM 748 OE1 GLU A 214 -4.318 5.204 -5.549 1.00 0.00 O ATOM 749 OE2 GLU A 214 -6.185 4.080 -5.296 1.00 0.00 O ATOM 0 H GLU A 214 -4.351 0.809 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 214 -1.680 1.290 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -2.456 3.285 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -3.575 1.972 -5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -5.108 2.872 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -3.988 4.185 -3.107 1.00 0.00 H new ATOM 756 N GLN A 215 -2.859 3.052 -1.255 1.00 0.00 N ATOM 757 CA GLN A 215 -2.472 3.795 -0.069 1.00 0.00 C ATOM 758 C GLN A 215 -1.727 2.910 0.918 1.00 0.00 C ATOM 759 O GLN A 215 -0.967 3.408 1.727 1.00 0.00 O ATOM 760 CB GLN A 215 -3.687 4.435 0.590 1.00 0.00 C ATOM 761 CG GLN A 215 -4.228 5.616 -0.198 1.00 0.00 C ATOM 762 CD GLN A 215 -3.255 6.782 -0.262 1.00 0.00 C ATOM 763 OE1 GLN A 215 -3.240 7.640 0.621 1.00 0.00 O ATOM 764 NE2 GLN A 215 -2.458 6.839 -1.319 1.00 0.00 N ATOM 0 H GLN A 215 -3.859 2.862 -1.324 1.00 0.00 H new ATOM 0 HA GLN A 215 -1.794 4.590 -0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -4.472 3.687 0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -3.419 4.765 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -4.465 5.292 -1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -5.160 5.952 0.256 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -2.500 6.108 -2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -1.802 7.613 -1.422 1.00 0.00 H new ATOM 773 N MET A 216 -1.970 1.610 0.873 1.00 0.00 N ATOM 774 CA MET A 216 -1.288 0.673 1.763 1.00 0.00 C ATOM 775 C MET A 216 0.213 0.656 1.476 1.00 0.00 C ATOM 776 O MET A 216 1.036 0.825 2.379 1.00 0.00 O ATOM 777 CB MET A 216 -1.896 -0.736 1.636 1.00 0.00 C ATOM 778 CG MET A 216 -1.292 -1.770 2.584 1.00 0.00 C ATOM 779 SD MET A 216 -2.400 -3.159 2.948 1.00 0.00 S ATOM 780 CE MET A 216 -2.555 -3.956 1.349 1.00 0.00 C ATOM 0 H MET A 216 -2.633 1.176 0.231 1.00 0.00 H new ATOM 0 HA MET A 216 -1.429 1.006 2.791 1.00 0.00 H new ATOM 0 HB2 MET A 216 -2.968 -0.674 1.821 1.00 0.00 H new ATOM 0 HB3 MET A 216 -1.769 -1.083 0.610 1.00 0.00 H new ATOM 0 HG2 MET A 216 -0.371 -2.156 2.147 1.00 0.00 H new ATOM 0 HG3 MET A 216 -1.020 -1.279 3.518 1.00 0.00 H new ATOM 0 HE1 MET A 216 -3.545 -4.403 1.260 1.00 0.00 H new ATOM 0 HE2 MET A 216 -2.417 -3.217 0.559 1.00 0.00 H new ATOM 0 HE3 MET A 216 -1.797 -4.733 1.255 1.00 0.00 H new ATOM 790 N CYS A 217 0.565 0.492 0.214 1.00 0.00 N ATOM 791 CA CYS A 217 1.969 0.486 -0.194 1.00 0.00 C ATOM 792 C CYS A 217 2.534 1.897 -0.295 1.00 0.00 C ATOM 793 O CYS A 217 3.721 2.114 -0.060 1.00 0.00 O ATOM 794 CB CYS A 217 2.159 -0.249 -1.516 1.00 0.00 C ATOM 795 SG CYS A 217 2.585 -2.003 -1.309 1.00 0.00 S ATOM 0 H CYS A 217 -0.097 0.361 -0.550 1.00 0.00 H new ATOM 0 HA CYS A 217 2.520 -0.045 0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 217 1.243 -0.172 -2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 217 2.945 0.244 -2.088 1.00 0.00 H new ATOM 800 N ILE A 218 1.694 2.855 -0.641 1.00 0.00 N ATOM 801 CA ILE A 218 2.124 4.240 -0.681 1.00 0.00 C ATOM 802 C ILE A 218 2.348 4.755 0.744 1.00 0.00 C ATOM 803 O ILE A 218 3.227 5.573 0.989 1.00 0.00 O ATOM 804 CB ILE A 218 1.130 5.108 -1.496 1.00 0.00 C ATOM 805 CG1 ILE A 218 1.297 4.776 -2.983 1.00 0.00 C ATOM 806 CG2 ILE A 218 1.342 6.588 -1.266 1.00 0.00 C ATOM 807 CD1 ILE A 218 0.344 5.502 -3.908 1.00 0.00 C ATOM 0 H ILE A 218 0.718 2.702 -0.896 1.00 0.00 H new ATOM 0 HA ILE A 218 3.078 4.311 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 218 0.118 4.878 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 218 2.319 5.011 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 218 1.165 3.703 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 218 0.623 7.155 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 218 1.202 6.816 -0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 218 2.354 6.861 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 218 0.538 5.203 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -0.683 5.249 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 218 0.490 6.578 -3.809 1.00 0.00 H new ATOM 819 N THR A 219 1.587 4.235 1.691 1.00 0.00 N ATOM 820 CA THR A 219 1.906 4.432 3.102 1.00 0.00 C ATOM 821 C THR A 219 3.308 3.902 3.406 1.00 0.00 C ATOM 822 O THR A 219 4.101 4.561 4.078 1.00 0.00 O ATOM 823 CB THR A 219 0.870 3.748 4.025 1.00 0.00 C ATOM 824 OG1 THR A 219 -0.359 4.487 4.014 1.00 0.00 O ATOM 825 CG2 THR A 219 1.381 3.624 5.452 1.00 0.00 C ATOM 0 H THR A 219 0.751 3.678 1.516 1.00 0.00 H new ATOM 0 HA THR A 219 1.873 5.503 3.300 1.00 0.00 H new ATOM 0 HB THR A 219 0.699 2.742 3.641 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.943 4.141 3.307 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.624 3.139 6.069 1.00 0.00 H new ATOM 0 HG22 THR A 219 2.294 3.028 5.461 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.592 4.616 5.851 1.00 0.00 H new ATOM 833 N GLN A 220 3.615 2.721 2.883 1.00 0.00 N ATOM 834 CA GLN A 220 4.947 2.137 3.045 1.00 0.00 C ATOM 835 C GLN A 220 6.031 3.037 2.447 1.00 0.00 C ATOM 836 O GLN A 220 7.134 3.133 2.987 1.00 0.00 O ATOM 837 CB GLN A 220 5.010 0.748 2.413 1.00 0.00 C ATOM 838 CG GLN A 220 4.226 -0.300 3.186 1.00 0.00 C ATOM 839 CD GLN A 220 4.793 -0.541 4.573 1.00 0.00 C ATOM 840 OE1 GLN A 220 5.656 -1.399 4.763 1.00 0.00 O ATOM 841 NE2 GLN A 220 4.311 0.210 5.552 1.00 0.00 N ATOM 0 H GLN A 220 2.965 2.148 2.345 1.00 0.00 H new ATOM 0 HA GLN A 220 5.135 2.046 4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 220 4.625 0.802 1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 220 6.052 0.435 2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 220 3.187 0.018 3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 220 4.228 -1.236 2.628 1.00 0.00 H new ATOM 0 HE21 GLN A 220 3.596 0.910 5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 220 4.655 0.088 6.505 1.00 0.00 H new ATOM 850 N TYR A 221 5.719 3.703 1.339 1.00 0.00 N ATOM 851 CA TYR A 221 6.670 4.629 0.727 1.00 0.00 C ATOM 852 C TYR A 221 6.849 5.858 1.605 1.00 0.00 C ATOM 853 O TYR A 221 7.965 6.362 1.773 1.00 0.00 O ATOM 854 CB TYR A 221 6.219 5.027 -0.699 1.00 0.00 C ATOM 855 CG TYR A 221 5.867 6.505 -0.899 1.00 0.00 C ATOM 856 CD1 TYR A 221 6.845 7.492 -0.957 1.00 0.00 C ATOM 857 CD2 TYR A 221 4.551 6.908 -1.031 1.00 0.00 C ATOM 858 CE1 TYR A 221 6.518 8.823 -1.134 1.00 0.00 C ATOM 859 CE2 TYR A 221 4.215 8.234 -1.211 1.00 0.00 C ATOM 860 CZ TYR A 221 5.199 9.188 -1.260 1.00 0.00 C ATOM 861 OH TYR A 221 4.860 10.513 -1.422 1.00 0.00 O ATOM 0 H TYR A 221 4.827 3.622 0.851 1.00 0.00 H new ATOM 0 HA TYR A 221 7.633 4.125 0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 221 7.014 4.765 -1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 221 5.349 4.427 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 221 7.884 7.212 -0.862 1.00 0.00 H new ATOM 0 HD2 TYR A 221 3.767 6.167 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 221 7.295 9.572 -1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 221 3.179 8.520 -1.313 1.00 0.00 H new ATOM 0 HH TYR A 221 3.886 10.595 -1.496 1.00 0.00 H new ATOM 871 N GLN A 222 5.744 6.343 2.160 1.00 0.00 N ATOM 872 CA GLN A 222 5.788 7.469 3.077 1.00 0.00 C ATOM 873 C GLN A 222 6.646 7.111 4.277 1.00 0.00 C ATOM 874 O GLN A 222 7.339 7.955 4.834 1.00 0.00 O ATOM 875 CB GLN A 222 4.376 7.859 3.512 1.00 0.00 C ATOM 876 CG GLN A 222 3.517 8.366 2.363 1.00 0.00 C ATOM 877 CD GLN A 222 2.070 8.583 2.754 1.00 0.00 C ATOM 878 OE1 GLN A 222 1.539 7.902 3.627 1.00 0.00 O ATOM 879 NE2 GLN A 222 1.418 9.529 2.098 1.00 0.00 N ATOM 0 H GLN A 222 4.809 5.973 1.989 1.00 0.00 H new ATOM 0 HA GLN A 222 6.230 8.328 2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 222 3.891 6.996 3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 222 4.439 8.631 4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 222 3.932 9.304 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 222 3.562 7.652 1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 222 1.895 10.073 1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 222 0.438 9.714 2.311 1.00 0.00 H new ATOM 888 N ARG A 223 6.609 5.839 4.645 1.00 0.00 N ATOM 889 CA ARG A 223 7.442 5.326 5.715 1.00 0.00 C ATOM 890 C ARG A 223 8.920 5.376 5.343 1.00 0.00 C ATOM 891 O ARG A 223 9.720 5.917 6.091 1.00 0.00 O ATOM 892 CB ARG A 223 7.051 3.889 6.065 1.00 0.00 C ATOM 893 CG ARG A 223 7.918 3.290 7.155 1.00 0.00 C ATOM 894 CD ARG A 223 7.809 4.085 8.442 1.00 0.00 C ATOM 895 NE ARG A 223 6.439 4.120 8.956 1.00 0.00 N ATOM 896 CZ ARG A 223 6.034 4.908 9.950 1.00 0.00 C ATOM 897 NH1 ARG A 223 6.885 5.749 10.521 1.00 0.00 N ATOM 898 NH2 ARG A 223 4.770 4.869 10.360 1.00 0.00 N ATOM 0 H ARG A 223 6.005 5.140 4.212 1.00 0.00 H new ATOM 0 HA ARG A 223 7.281 5.964 6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 223 6.009 3.869 6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 223 7.122 3.270 5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 223 7.618 2.258 7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 223 8.957 3.267 6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 223 8.466 3.648 9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 223 8.156 5.104 8.268 1.00 0.00 H new ATOM 0 HE ARG A 223 5.751 3.502 8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 223 7.852 5.793 10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 223 6.573 6.352 11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 223 4.108 4.235 9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 223 4.462 5.474 11.122 1.00 0.00 H new ATOM 912 N GLU A 224 9.279 4.812 4.193 1.00 0.00 N ATOM 913 CA GLU A 224 10.688 4.708 3.808 1.00 0.00 C ATOM 914 C GLU A 224 11.328 6.074 3.635 1.00 0.00 C ATOM 915 O GLU A 224 12.390 6.354 4.199 1.00 0.00 O ATOM 916 CB GLU A 224 10.881 3.896 2.516 1.00 0.00 C ATOM 917 CG GLU A 224 12.103 3.011 2.624 1.00 0.00 C ATOM 918 CD GLU A 224 12.153 1.907 1.589 1.00 0.00 C ATOM 919 OE1 GLU A 224 11.452 0.890 1.777 1.00 0.00 O ATOM 920 OE2 GLU A 224 12.903 2.039 0.601 1.00 0.00 O ATOM 0 H GLU A 224 8.623 4.423 3.516 1.00 0.00 H new ATOM 0 HA GLU A 224 11.180 4.183 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 224 9.998 3.285 2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 224 10.988 4.572 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 224 12.996 3.628 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 224 12.130 2.565 3.618 1.00 0.00 H new ATOM 927 N SER A 225 10.691 6.931 2.865 1.00 0.00 N ATOM 928 CA SER A 225 11.245 8.241 2.607 1.00 0.00 C ATOM 929 C SER A 225 11.237 9.087 3.877 1.00 0.00 C ATOM 930 O SER A 225 12.013 10.024 4.000 1.00 0.00 O ATOM 931 CB SER A 225 10.478 8.932 1.481 1.00 0.00 C ATOM 932 OG SER A 225 9.087 8.962 1.747 1.00 0.00 O ATOM 0 H SER A 225 9.797 6.746 2.411 1.00 0.00 H new ATOM 0 HA SER A 225 12.281 8.124 2.289 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.849 9.950 1.357 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.659 8.410 0.541 1.00 0.00 H new ATOM 0 HG SER A 225 8.708 8.069 1.606 1.00 0.00 H new ATOM 938 N GLN A 226 10.346 8.765 4.807 1.00 0.00 N ATOM 939 CA GLN A 226 10.376 9.374 6.132 1.00 0.00 C ATOM 940 C GLN A 226 11.559 8.861 6.898 1.00 0.00 C ATOM 941 O GLN A 226 12.257 9.619 7.569 1.00 0.00 O ATOM 942 CB GLN A 226 9.119 9.026 6.927 1.00 0.00 C ATOM 943 CG GLN A 226 9.019 9.721 8.280 1.00 0.00 C ATOM 944 CD GLN A 226 9.357 8.809 9.445 1.00 0.00 C ATOM 945 OE1 GLN A 226 8.487 8.134 9.991 1.00 0.00 O ATOM 946 NE2 GLN A 226 10.620 8.790 9.842 1.00 0.00 N ATOM 0 H GLN A 226 9.596 8.088 4.669 1.00 0.00 H new ATOM 0 HA GLN A 226 10.436 10.454 5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 226 8.244 9.287 6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 226 9.089 7.948 7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 226 9.691 10.579 8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 226 8.008 10.106 8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 226 11.314 9.365 9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 226 10.899 8.201 10.626 1.00 0.00 H new ATOM 955 N ALA A 227 11.749 7.559 6.796 1.00 0.00 N ATOM 956 CA ALA A 227 12.729 6.853 7.574 1.00 0.00 C ATOM 957 C ALA A 227 14.096 7.528 7.472 1.00 0.00 C ATOM 958 O ALA A 227 14.715 7.847 8.489 1.00 0.00 O ATOM 959 CB ALA A 227 12.765 5.394 7.124 1.00 0.00 C ATOM 0 H ALA A 227 11.218 6.963 6.162 1.00 0.00 H new ATOM 0 HA ALA A 227 12.453 6.879 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 227 13.507 4.851 7.710 1.00 0.00 H new ATOM 0 HB2 ALA A 227 11.784 4.943 7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 227 13.030 5.345 6.068 1.00 0.00 H new ATOM 965 N TYR A 228 14.566 7.761 6.254 1.00 0.00 N ATOM 966 CA TYR A 228 15.807 8.505 6.069 1.00 0.00 C ATOM 967 C TYR A 228 15.579 10.003 5.866 1.00 0.00 C ATOM 968 O TYR A 228 16.540 10.769 5.795 1.00 0.00 O ATOM 969 CB TYR A 228 16.652 7.924 4.942 1.00 0.00 C ATOM 970 CG TYR A 228 17.501 6.756 5.391 1.00 0.00 C ATOM 971 CD1 TYR A 228 16.917 5.611 5.919 1.00 0.00 C ATOM 972 CD2 TYR A 228 18.885 6.802 5.295 1.00 0.00 C ATOM 973 CE1 TYR A 228 17.688 4.546 6.339 1.00 0.00 C ATOM 974 CE2 TYR A 228 19.663 5.738 5.713 1.00 0.00 C ATOM 975 CZ TYR A 228 19.058 4.615 6.235 1.00 0.00 C ATOM 976 OH TYR A 228 19.826 3.550 6.646 1.00 0.00 O ATOM 0 H TYR A 228 14.117 7.452 5.392 1.00 0.00 H new ATOM 0 HA TYR A 228 16.363 8.394 7.000 1.00 0.00 H new ATOM 0 HB2 TYR A 228 15.998 7.602 4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 228 17.298 8.704 4.539 1.00 0.00 H new ATOM 0 HD1 TYR A 228 15.842 5.553 6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 228 19.361 7.682 4.888 1.00 0.00 H new ATOM 0 HE1 TYR A 228 17.218 3.663 6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 228 20.739 5.787 5.631 1.00 0.00 H new ATOM 0 HH TYR A 228 20.774 3.756 6.505 1.00 0.00 H new ATOM 986 N TYR A 229 14.308 10.414 5.760 1.00 0.00 N ATOM 987 CA TYR A 229 13.958 11.816 5.522 1.00 0.00 C ATOM 988 C TYR A 229 14.442 12.249 4.137 1.00 0.00 C ATOM 989 O TYR A 229 15.168 13.228 3.977 1.00 0.00 O ATOM 990 CB TYR A 229 14.530 12.715 6.633 1.00 0.00 C ATOM 991 CG TYR A 229 14.070 14.155 6.573 1.00 0.00 C ATOM 992 CD1 TYR A 229 12.721 14.473 6.470 1.00 0.00 C ATOM 993 CD2 TYR A 229 14.986 15.197 6.627 1.00 0.00 C ATOM 994 CE1 TYR A 229 12.301 15.788 6.423 1.00 0.00 C ATOM 995 CE2 TYR A 229 14.573 16.513 6.580 1.00 0.00 C ATOM 996 CZ TYR A 229 13.231 16.803 6.478 1.00 0.00 C ATOM 997 OH TYR A 229 12.817 18.115 6.436 1.00 0.00 O ATOM 0 H TYR A 229 13.504 9.791 5.836 1.00 0.00 H new ATOM 0 HA TYR A 229 12.873 11.922 5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 229 14.251 12.298 7.601 1.00 0.00 H new ATOM 0 HB3 TYR A 229 15.618 12.692 6.578 1.00 0.00 H new ATOM 0 HD1 TYR A 229 11.990 13.680 6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 229 16.040 14.974 6.707 1.00 0.00 H new ATOM 0 HE1 TYR A 229 11.249 16.019 6.344 1.00 0.00 H new ATOM 0 HE2 TYR A 229 15.299 17.311 6.623 1.00 0.00 H new ATOM 0 HH TYR A 229 13.597 18.706 6.486 1.00 0.00 H new ATOM 1007 N GLN A 230 14.022 11.491 3.138 1.00 0.00 N ATOM 1008 CA GLN A 230 14.398 11.734 1.754 1.00 0.00 C ATOM 1009 C GLN A 230 13.342 12.588 1.065 1.00 0.00 C ATOM 1010 O GLN A 230 13.594 13.740 0.726 1.00 0.00 O ATOM 1011 CB GLN A 230 14.594 10.392 1.047 1.00 0.00 C ATOM 1012 CG GLN A 230 15.713 9.586 1.659 1.00 0.00 C ATOM 1013 CD GLN A 230 17.045 10.315 1.658 1.00 0.00 C ATOM 1014 OE1 GLN A 230 17.867 10.123 2.552 1.00 0.00 O ATOM 1015 NE2 GLN A 230 17.274 11.143 0.651 1.00 0.00 N ATOM 0 H GLN A 230 13.408 10.686 3.264 1.00 0.00 H new ATOM 0 HA GLN A 230 15.337 12.286 1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 230 13.668 9.819 1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 230 14.808 10.566 -0.008 1.00 0.00 H new ATOM 0 HG2 GLN A 230 15.448 9.328 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 230 15.818 8.649 1.112 1.00 0.00 H new ATOM 0 HE21 GLN A 230 16.566 11.275 -0.072 1.00 0.00 H new ATOM 0 HE22 GLN A 230 18.158 11.649 0.598 1.00 0.00 H new ATOM 1024 N ARG A 231 12.161 12.024 0.858 1.00 0.00 N ATOM 1025 CA ARG A 231 11.011 12.830 0.474 1.00 0.00 C ATOM 1026 C ARG A 231 10.389 13.392 1.743 1.00 0.00 C ATOM 1027 O ARG A 231 10.000 14.556 1.810 1.00 0.00 O ATOM 1028 CB ARG A 231 10.001 11.986 -0.323 1.00 0.00 C ATOM 1029 CG ARG A 231 8.586 12.557 -0.386 1.00 0.00 C ATOM 1030 CD ARG A 231 8.570 14.014 -0.814 1.00 0.00 C ATOM 1031 NE ARG A 231 9.118 14.218 -2.154 1.00 0.00 N ATOM 1032 CZ ARG A 231 8.996 15.354 -2.843 1.00 0.00 C ATOM 1033 NH1 ARG A 231 8.280 16.364 -2.358 1.00 0.00 N ATOM 1034 NH2 ARG A 231 9.571 15.470 -4.031 1.00 0.00 N ATOM 0 H ARG A 231 11.975 11.025 0.948 1.00 0.00 H new ATOM 0 HA ARG A 231 11.319 13.650 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 231 10.374 11.867 -1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 231 9.955 10.990 0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 231 7.990 11.969 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 231 8.115 12.463 0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 231 7.545 14.385 -0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 231 9.143 14.604 -0.099 1.00 0.00 H new ATOM 0 HE ARG A 231 9.624 13.446 -2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 231 7.819 16.274 -1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 231 8.192 17.229 -2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 231 10.106 14.692 -4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 231 9.479 16.338 -4.560 1.00 0.00 H new ATOM 1048 N GLY A 232 10.329 12.545 2.753 1.00 0.00 N ATOM 1049 CA GLY A 232 10.034 12.992 4.085 1.00 0.00 C ATOM 1050 C GLY A 232 8.579 12.821 4.430 1.00 0.00 C ATOM 1051 O GLY A 232 7.714 12.865 3.553 1.00 0.00 O ATOM 0 H GLY A 232 10.483 11.540 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 232 10.643 12.435 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 232 10.309 14.042 4.184 1.00 0.00 H new ATOM 1055 N ALA A 233 8.314 12.618 5.705 1.00 0.00 N ATOM 1056 CA ALA A 233 6.967 12.397 6.194 1.00 0.00 C ATOM 1057 C ALA A 233 6.970 12.484 7.714 1.00 0.00 C ATOM 1058 O ALA A 233 6.213 11.798 8.400 1.00 0.00 O ATOM 1059 CB ALA A 233 6.457 11.045 5.715 1.00 0.00 C ATOM 0 H ALA A 233 9.028 12.602 6.433 1.00 0.00 H new ATOM 0 HA ALA A 233 6.295 13.162 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 233 5.445 10.886 6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 233 6.452 11.023 4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 233 7.109 10.256 6.090 1.00 0.00 H new ATOM 1065 N SER A 234 7.848 13.335 8.223 1.00 0.00 N ATOM 1066 CA SER A 234 8.064 13.466 9.649 1.00 0.00 C ATOM 1067 C SER A 234 7.951 14.934 10.042 1.00 0.00 C ATOM 1068 O SER A 234 8.951 15.668 9.890 1.00 0.00 O ATOM 1069 CB SER A 234 9.445 12.915 10.024 1.00 0.00 C ATOM 1070 OG SER A 234 9.609 12.832 11.430 1.00 0.00 O ATOM 1071 OXT SER A 234 6.854 15.353 10.461 1.00 0.00 O ATOM 0 H SER A 234 8.429 13.953 7.656 1.00 0.00 H new ATOM 0 HA SER A 234 7.309 12.893 10.187 1.00 0.00 H new ATOM 0 HB2 SER A 234 9.575 11.927 9.583 1.00 0.00 H new ATOM 0 HB3 SER A 234 10.220 13.556 9.604 1.00 0.00 H new ATOM 0 HG SER A 234 10.499 12.476 11.635 1.00 0.00 H new TER 1077 SER A 234