USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=20 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 194 THR OG1 : rot 119:sc= 1.25 USER MOD Set 1.2: A 197 LYS NZ :NH3+ -121:sc= 0.908 (180deg=-1.24!) USER MOD Set 2.1: A 175 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Set 2.2: A 221 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 173 SER OG : rot 180:sc= 0.195 USER MOD Set 3.2: A 230 GLN : amide:sc= -2.71 K(o=-2.5,f=-12!) USER MOD Single : A 171 GLN : amide:sc= -0.725 K(o=-0.73,f=-9.5!) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.4!) USER MOD Single : A 176 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : A 177 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 180 HIS : no HD1:sc=-0.00567 X(o=-0.0057,f=-0.017) USER MOD Single : A 184 ASN : amide:sc= 1.05 K(o=1.1,f=-0.15) USER MOD Single : A 186 THR OG1 : rot -102:sc= -0.317 USER MOD Single : A 188 LYS NZ :NH3+ -148:sc= -0.24 (180deg=-0.974) USER MOD Single : A 189 GLN : amide:sc= -2.1! K(o=-2.1!,f=-0.42) USER MOD Single : A 190 HIS : no HD1:sc= -0.642 K(o=-0.64,f=-3.2!) USER MOD Single : A 191 THR OG1 : rot -90:sc= 1.26 USER MOD Single : A 193 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 195 THR OG1 : rot 67:sc= 1.02 USER MOD Single : A 196 THR OG1 : rot -74:sc= 0.992 USER MOD Single : A 200 ASN : amide:sc= 0.58 K(o=0.58,f=0) USER MOD Single : A 202 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 THR OG1 : rot 180:sc= 0.00483 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 MET CE :methyl -172:sc= -8.45! (180deg=-8.62!) USER MOD Single : A 215 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.27) USER MOD Single : A 216 MET CE :methyl -153:sc= -2.87! (180deg=-5.65!) USER MOD Single : A 219 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 220 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.17) USER MOD Single : A 222 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 225 SER OG : rot 29:sc= 0.22 USER MOD Single : A 226 GLN : amide:sc= -2.18 K(o=-2.2,f=0) 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 234 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 167 19.973 3.971 -1.247 1.00 0.00 N ATOM 2 CA ARG A 167 19.330 3.849 0.079 1.00 0.00 C ATOM 3 C ARG A 167 18.225 2.806 0.017 1.00 0.00 C ATOM 4 O ARG A 167 17.654 2.569 -1.044 1.00 0.00 O ATOM 5 CB ARG A 167 18.720 5.182 0.518 1.00 0.00 C ATOM 6 CG ARG A 167 19.693 6.345 0.547 1.00 0.00 C ATOM 7 CD ARG A 167 19.066 7.549 1.227 1.00 0.00 C ATOM 8 NE ARG A 167 19.895 8.751 1.122 1.00 0.00 N ATOM 9 CZ ARG A 167 20.681 9.206 2.097 1.00 0.00 C ATOM 10 NH1 ARG A 167 20.928 8.461 3.165 1.00 0.00 N ATOM 11 NH2 ARG A 167 21.269 10.386 1.984 1.00 0.00 N ATOM 0 HA ARG A 167 20.093 3.553 0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 167 17.899 5.429 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 167 18.291 5.060 1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 167 20.601 6.054 1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 167 19.986 6.606 -0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 167 18.090 7.745 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 167 18.897 7.320 2.279 1.00 0.00 H new ATOM 0 HE ARG A 167 19.869 9.274 0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 167 20.515 7.532 3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 167 21.531 8.817 3.907 1.00 0.00 H new ATOM 0 HH21 ARG A 167 21.121 10.951 1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 167 21.870 10.730 2.733 1.00 0.00 H new ATOM 25 N PRO A 168 17.893 2.171 1.152 1.00 0.00 N ATOM 26 CA PRO A 168 16.803 1.200 1.217 1.00 0.00 C ATOM 27 C PRO A 168 15.446 1.869 1.396 1.00 0.00 C ATOM 28 O PRO A 168 14.538 1.312 2.007 1.00 0.00 O ATOM 29 CB PRO A 168 17.168 0.364 2.439 1.00 0.00 C ATOM 30 CG PRO A 168 17.880 1.314 3.343 1.00 0.00 C ATOM 31 CD PRO A 168 18.567 2.326 2.459 1.00 0.00 C ATOM 0 HA PRO A 168 16.704 0.618 0.301 1.00 0.00 H new ATOM 0 HB2 PRO A 168 16.280 -0.049 2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 168 17.804 -0.478 2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 168 17.179 1.804 4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 168 18.605 0.787 3.963 1.00 0.00 H new ATOM 0 HD2 PRO A 168 18.456 3.338 2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 168 19.636 2.130 2.383 1.00 0.00 H new ATOM 39 N VAL A 169 15.336 3.075 0.867 1.00 0.00 N ATOM 40 CA VAL A 169 14.086 3.824 0.882 1.00 0.00 C ATOM 41 C VAL A 169 13.628 4.125 -0.539 1.00 0.00 C ATOM 42 O VAL A 169 12.931 5.117 -0.779 1.00 0.00 O ATOM 43 CB VAL A 169 14.180 5.165 1.639 1.00 0.00 C ATOM 44 CG1 VAL A 169 14.597 4.985 3.092 1.00 0.00 C ATOM 45 CG2 VAL A 169 15.127 6.120 0.922 1.00 0.00 C ATOM 0 H VAL A 169 16.108 3.565 0.415 1.00 0.00 H new ATOM 0 HA VAL A 169 13.373 3.186 1.404 1.00 0.00 H new ATOM 0 HB VAL A 169 13.180 5.598 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 169 14.648 5.959 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 169 13.866 4.360 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 169 15.576 4.507 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 169 15.180 7.060 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 169 16.120 5.675 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 169 14.759 6.309 -0.086 1.00 0.00 H new ATOM 55 N ASP A 170 14.024 3.277 -1.486 1.00 0.00 N ATOM 56 CA ASP A 170 13.722 3.509 -2.903 1.00 0.00 C ATOM 57 C ASP A 170 12.211 3.534 -3.146 1.00 0.00 C ATOM 58 O ASP A 170 11.751 3.799 -4.256 1.00 0.00 O ATOM 59 CB ASP A 170 14.383 2.449 -3.793 1.00 0.00 C ATOM 60 CG ASP A 170 13.829 1.055 -3.562 1.00 0.00 C ATOM 61 OD1 ASP A 170 14.187 0.435 -2.540 1.00 0.00 O ATOM 62 OD2 ASP A 170 13.048 0.568 -4.408 1.00 0.00 O ATOM 0 H ASP A 170 14.553 2.425 -1.302 1.00 0.00 H new ATOM 0 HA ASP A 170 14.132 4.483 -3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 170 14.243 2.721 -4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 170 15.457 2.443 -3.606 1.00 0.00 H new ATOM 67 N GLN A 171 11.461 3.269 -2.084 1.00 0.00 N ATOM 68 CA GLN A 171 10.016 3.425 -2.060 1.00 0.00 C ATOM 69 C GLN A 171 9.615 4.840 -2.492 1.00 0.00 C ATOM 70 O GLN A 171 8.527 5.051 -3.024 1.00 0.00 O ATOM 71 CB GLN A 171 9.480 3.135 -0.642 1.00 0.00 C ATOM 72 CG GLN A 171 9.186 1.663 -0.349 1.00 0.00 C ATOM 73 CD GLN A 171 10.418 0.780 -0.202 1.00 0.00 C ATOM 74 OE1 GLN A 171 11.461 1.023 -0.798 1.00 0.00 O ATOM 75 NE2 GLN A 171 10.294 -0.269 0.590 1.00 0.00 N ATOM 0 H GLN A 171 11.848 2.934 -1.202 1.00 0.00 H new ATOM 0 HA GLN A 171 9.580 2.714 -2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 171 10.207 3.496 0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 171 8.566 3.709 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 171 8.600 1.600 0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 171 8.565 1.265 -1.152 1.00 0.00 H new ATOM 0 HE21 GLN A 171 9.412 -0.443 1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 171 11.080 -0.906 0.720 1.00 0.00 H new ATOM 84 N TYR A 172 10.497 5.811 -2.263 1.00 0.00 N ATOM 85 CA TYR A 172 10.242 7.182 -2.694 1.00 0.00 C ATOM 86 C TYR A 172 11.143 7.565 -3.868 1.00 0.00 C ATOM 87 O TYR A 172 10.669 8.063 -4.890 1.00 0.00 O ATOM 88 CB TYR A 172 10.444 8.162 -1.534 1.00 0.00 C ATOM 89 CG TYR A 172 10.217 9.613 -1.912 1.00 0.00 C ATOM 90 CD1 TYR A 172 9.246 9.965 -2.838 1.00 0.00 C ATOM 91 CD2 TYR A 172 10.971 10.629 -1.340 1.00 0.00 C ATOM 92 CE1 TYR A 172 9.031 11.279 -3.185 1.00 0.00 C ATOM 93 CE2 TYR A 172 10.762 11.953 -1.683 1.00 0.00 C ATOM 94 CZ TYR A 172 9.788 12.272 -2.607 1.00 0.00 C ATOM 95 OH TYR A 172 9.569 13.587 -2.957 1.00 0.00 O ATOM 0 H TYR A 172 11.388 5.675 -1.785 1.00 0.00 H new ATOM 0 HA TYR A 172 9.205 7.239 -3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 172 9.765 7.897 -0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 172 11.458 8.051 -1.149 1.00 0.00 H new ATOM 0 HD1 TYR A 172 8.647 9.192 -3.296 1.00 0.00 H new ATOM 0 HD2 TYR A 172 11.733 10.382 -0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 172 8.270 11.530 -3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 172 11.357 12.732 -1.230 1.00 0.00 H new ATOM 0 HH TYR A 172 10.185 14.165 -2.459 1.00 0.00 H new ATOM 105 N SER A 173 12.441 7.337 -3.716 1.00 0.00 N ATOM 106 CA SER A 173 13.411 7.686 -4.751 1.00 0.00 C ATOM 107 C SER A 173 13.058 7.060 -6.110 1.00 0.00 C ATOM 108 O SER A 173 13.224 7.688 -7.157 1.00 0.00 O ATOM 109 CB SER A 173 14.799 7.242 -4.300 1.00 0.00 C ATOM 110 OG SER A 173 15.046 7.671 -2.967 1.00 0.00 O ATOM 0 H SER A 173 12.849 6.911 -2.884 1.00 0.00 H new ATOM 0 HA SER A 173 13.392 8.767 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 173 14.878 6.157 -4.360 1.00 0.00 H new ATOM 0 HB3 SER A 173 15.555 7.655 -4.968 1.00 0.00 H new ATOM 0 HG SER A 173 15.939 7.378 -2.689 1.00 0.00 H new ATOM 116 N ASN A 174 12.563 5.830 -6.090 1.00 0.00 N ATOM 117 CA ASN A 174 12.177 5.126 -7.312 1.00 0.00 C ATOM 118 C ASN A 174 10.658 4.948 -7.359 1.00 0.00 C ATOM 119 O ASN A 174 10.144 4.007 -7.969 1.00 0.00 O ATOM 120 CB ASN A 174 12.883 3.767 -7.392 1.00 0.00 C ATOM 121 CG ASN A 174 12.895 3.196 -8.799 1.00 0.00 C ATOM 122 OD1 ASN A 174 12.887 3.933 -9.781 1.00 0.00 O ATOM 123 ND2 ASN A 174 12.936 1.879 -8.910 1.00 0.00 N ATOM 0 H ASN A 174 12.417 5.293 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 174 12.484 5.721 -8.172 1.00 0.00 H new ATOM 0 HB2 ASN A 174 13.909 3.873 -7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 174 12.387 3.064 -6.723 1.00 0.00 H new ATOM 0 HD21 ASN A 174 12.962 1.446 -9.833 1.00 0.00 H new ATOM 0 HD22 ASN A 174 12.941 1.297 -8.073 1.00 0.00 H new ATOM 130 N GLN A 175 9.960 5.871 -6.690 1.00 0.00 N ATOM 131 CA GLN A 175 8.531 5.747 -6.384 1.00 0.00 C ATOM 132 C GLN A 175 7.681 5.223 -7.543 1.00 0.00 C ATOM 133 O GLN A 175 6.829 4.386 -7.320 1.00 0.00 O ATOM 134 CB GLN A 175 7.951 7.089 -5.923 1.00 0.00 C ATOM 135 CG GLN A 175 6.582 6.949 -5.271 1.00 0.00 C ATOM 136 CD GLN A 175 5.909 8.274 -4.964 1.00 0.00 C ATOM 137 OE1 GLN A 175 6.567 9.291 -4.739 1.00 0.00 O ATOM 138 NE2 GLN A 175 4.584 8.261 -4.942 1.00 0.00 N ATOM 0 H GLN A 175 10.376 6.735 -6.342 1.00 0.00 H new ATOM 0 HA GLN A 175 8.483 5.006 -5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 175 8.639 7.553 -5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 175 7.874 7.759 -6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 175 5.935 6.368 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 175 6.687 6.383 -4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 175 4.079 7.396 -5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.069 9.116 -4.733 1.00 0.00 H new ATOM 147 N ASN A 176 7.893 5.702 -8.764 1.00 0.00 N ATOM 148 CA ASN A 176 7.002 5.343 -9.870 1.00 0.00 C ATOM 149 C ASN A 176 6.970 3.827 -10.111 1.00 0.00 C ATOM 150 O ASN A 176 5.895 3.238 -10.263 1.00 0.00 O ATOM 151 CB ASN A 176 7.378 6.096 -11.159 1.00 0.00 C ATOM 152 CG ASN A 176 8.690 5.641 -11.769 1.00 0.00 C ATOM 153 OD1 ASN A 176 9.764 6.105 -11.380 1.00 0.00 O ATOM 154 ND2 ASN A 176 8.610 4.747 -12.744 1.00 0.00 N ATOM 0 H ASN A 176 8.658 6.328 -9.014 1.00 0.00 H new ATOM 0 HA ASN A 176 5.997 5.649 -9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 176 6.582 5.965 -11.892 1.00 0.00 H new ATOM 0 HB3 ASN A 176 7.439 7.162 -10.942 1.00 0.00 H new ATOM 0 HD21 ASN A 176 9.458 4.417 -13.204 1.00 0.00 H new ATOM 0 HD22 ASN A 176 7.700 4.389 -13.035 1.00 0.00 H new ATOM 161 N ASN A 177 8.137 3.194 -10.108 1.00 0.00 N ATOM 162 CA ASN A 177 8.225 1.746 -10.295 1.00 0.00 C ATOM 163 C ASN A 177 7.710 1.034 -9.060 1.00 0.00 C ATOM 164 O ASN A 177 6.986 0.038 -9.150 1.00 0.00 O ATOM 165 CB ASN A 177 9.674 1.338 -10.583 1.00 0.00 C ATOM 166 CG ASN A 177 9.861 -0.168 -10.676 1.00 0.00 C ATOM 167 OD1 ASN A 177 10.114 -0.840 -9.675 1.00 0.00 O ATOM 168 ND2 ASN A 177 9.757 -0.703 -11.881 1.00 0.00 N ATOM 0 H ASN A 177 9.036 3.658 -9.978 1.00 0.00 H new ATOM 0 HA ASN A 177 7.609 1.459 -11.147 1.00 0.00 H new ATOM 0 HB2 ASN A 177 9.996 1.797 -11.518 1.00 0.00 H new ATOM 0 HB3 ASN A 177 10.319 1.731 -9.797 1.00 0.00 H new ATOM 0 HD21 ASN A 177 9.888 -1.707 -12.006 1.00 0.00 H new ATOM 0 HD22 ASN A 177 9.546 -0.112 -12.685 1.00 0.00 H new ATOM 175 N PHE A 178 8.067 1.578 -7.908 1.00 0.00 N ATOM 176 CA PHE A 178 7.629 1.044 -6.635 1.00 0.00 C ATOM 177 C PHE A 178 6.107 1.022 -6.540 1.00 0.00 C ATOM 178 O PHE A 178 5.531 0.018 -6.163 1.00 0.00 O ATOM 179 CB PHE A 178 8.229 1.862 -5.487 1.00 0.00 C ATOM 180 CG PHE A 178 7.388 1.862 -4.244 1.00 0.00 C ATOM 181 CD1 PHE A 178 7.467 0.830 -3.324 1.00 0.00 C ATOM 182 CD2 PHE A 178 6.503 2.900 -4.005 1.00 0.00 C ATOM 183 CE1 PHE A 178 6.678 0.840 -2.188 1.00 0.00 C ATOM 184 CE2 PHE A 178 5.717 2.912 -2.880 1.00 0.00 C ATOM 185 CZ PHE A 178 5.802 1.886 -1.970 1.00 0.00 C ATOM 0 H PHE A 178 8.667 2.400 -7.832 1.00 0.00 H new ATOM 0 HA PHE A 178 7.981 0.015 -6.557 1.00 0.00 H new ATOM 0 HB2 PHE A 178 9.216 1.466 -5.248 1.00 0.00 H new ATOM 0 HB3 PHE A 178 8.370 2.890 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 178 8.150 0.011 -3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 178 6.430 3.712 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 178 6.746 0.033 -1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 178 5.031 3.729 -2.710 1.00 0.00 H new ATOM 0 HZ PHE A 178 5.184 1.897 -1.084 1.00 0.00 H new ATOM 195 N VAL A 179 5.465 2.128 -6.885 1.00 0.00 N ATOM 196 CA VAL A 179 4.016 2.234 -6.779 1.00 0.00 C ATOM 197 C VAL A 179 3.353 1.190 -7.653 1.00 0.00 C ATOM 198 O VAL A 179 2.467 0.475 -7.203 1.00 0.00 O ATOM 199 CB VAL A 179 3.500 3.651 -7.148 1.00 0.00 C ATOM 200 CG1 VAL A 179 1.977 3.700 -7.136 1.00 0.00 C ATOM 201 CG2 VAL A 179 4.055 4.690 -6.189 1.00 0.00 C ATOM 0 H VAL A 179 5.924 2.966 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 179 3.752 2.057 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 179 3.847 3.877 -8.156 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.643 4.704 -7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.584 2.986 -7.860 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.613 3.445 -6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 179 3.681 5.676 -6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 179 3.739 4.453 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 179 5.144 4.687 -6.240 1.00 0.00 H new ATOM 211 N HIS A 180 3.823 1.066 -8.882 1.00 0.00 N ATOM 212 CA HIS A 180 3.258 0.101 -9.805 1.00 0.00 C ATOM 213 C HIS A 180 3.367 -1.314 -9.235 1.00 0.00 C ATOM 214 O HIS A 180 2.357 -1.991 -9.039 1.00 0.00 O ATOM 215 CB HIS A 180 3.968 0.195 -11.155 1.00 0.00 C ATOM 216 CG HIS A 180 3.303 -0.588 -12.244 1.00 0.00 C ATOM 217 ND1 HIS A 180 4.025 -1.383 -13.102 1.00 0.00 N ATOM 218 CD2 HIS A 180 1.996 -0.624 -12.598 1.00 0.00 C ATOM 219 CE1 HIS A 180 3.145 -1.885 -13.954 1.00 0.00 C ATOM 220 NE2 HIS A 180 1.904 -1.453 -13.687 1.00 0.00 N ATOM 0 H HIS A 180 4.591 1.619 -9.261 1.00 0.00 H new ATOM 0 HA HIS A 180 2.201 0.327 -9.949 1.00 0.00 H new ATOM 0 HB2 HIS A 180 4.022 1.242 -11.454 1.00 0.00 H new ATOM 0 HB3 HIS A 180 4.993 -0.157 -11.041 1.00 0.00 H new ATOM 0 HD2 HIS A 180 1.183 -0.101 -12.116 1.00 0.00 H new ATOM 0 HE1 HIS A 180 3.395 -2.557 -14.762 1.00 0.00 H new ATOM 0 HE2 HIS A 180 1.054 -1.695 -14.196 1.00 0.00 H new ATOM 227 N ASP A 181 4.588 -1.743 -8.939 1.00 0.00 N ATOM 228 CA ASP A 181 4.821 -3.095 -8.421 1.00 0.00 C ATOM 229 C ASP A 181 4.144 -3.326 -7.069 1.00 0.00 C ATOM 230 O ASP A 181 3.469 -4.338 -6.870 1.00 0.00 O ATOM 231 CB ASP A 181 6.323 -3.371 -8.299 1.00 0.00 C ATOM 232 CG ASP A 181 6.934 -3.863 -9.597 1.00 0.00 C ATOM 233 OD1 ASP A 181 7.055 -3.068 -10.553 1.00 0.00 O ATOM 234 OD2 ASP A 181 7.302 -5.055 -9.668 1.00 0.00 O ATOM 0 H ASP A 181 5.432 -1.180 -9.047 1.00 0.00 H new ATOM 0 HA ASP A 181 4.377 -3.787 -9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 181 6.832 -2.459 -7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 181 6.490 -4.114 -7.519 1.00 0.00 H new ATOM 239 N CYS A 182 4.315 -2.383 -6.153 1.00 0.00 N ATOM 240 CA CYS A 182 3.822 -2.533 -4.790 1.00 0.00 C ATOM 241 C CYS A 182 2.304 -2.581 -4.760 1.00 0.00 C ATOM 242 O CYS A 182 1.737 -3.481 -4.151 1.00 0.00 O ATOM 243 CB CYS A 182 4.354 -1.403 -3.885 1.00 0.00 C ATOM 244 SG CYS A 182 4.040 -1.641 -2.106 1.00 0.00 S ATOM 0 H CYS A 182 4.795 -1.500 -6.330 1.00 0.00 H new ATOM 0 HA CYS A 182 4.195 -3.481 -4.402 1.00 0.00 H new ATOM 0 HB2 CYS A 182 5.429 -1.307 -4.041 1.00 0.00 H new ATOM 0 HB3 CYS A 182 3.901 -0.462 -4.197 1.00 0.00 H new ATOM 249 N VAL A 183 1.641 -1.642 -5.428 1.00 0.00 N ATOM 250 CA VAL A 183 0.180 -1.607 -5.415 1.00 0.00 C ATOM 251 C VAL A 183 -0.383 -2.899 -5.986 1.00 0.00 C ATOM 252 O VAL A 183 -1.388 -3.417 -5.507 1.00 0.00 O ATOM 253 CB VAL A 183 -0.375 -0.395 -6.189 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.898 -0.421 -6.247 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.104 0.885 -5.537 1.00 0.00 C ATOM 0 H VAL A 183 2.083 -0.905 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 183 -0.135 -1.505 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 183 -0.005 -0.443 -7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -2.256 0.448 -6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -2.228 -1.331 -6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -2.301 -0.398 -5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 183 -0.289 1.742 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 183 -0.247 0.922 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.194 0.914 -5.550 1.00 0.00 H new ATOM 265 N ASN A 184 0.292 -3.438 -6.988 1.00 0.00 N ATOM 266 CA ASN A 184 -0.105 -4.734 -7.535 1.00 0.00 C ATOM 267 C ASN A 184 -0.077 -5.812 -6.454 1.00 0.00 C ATOM 268 O ASN A 184 -1.096 -6.431 -6.172 1.00 0.00 O ATOM 269 CB ASN A 184 0.780 -5.161 -8.712 1.00 0.00 C ATOM 270 CG ASN A 184 0.253 -4.675 -10.051 1.00 0.00 C ATOM 271 OD1 ASN A 184 -0.563 -5.343 -10.685 1.00 0.00 O ATOM 272 ND2 ASN A 184 0.721 -3.524 -10.499 1.00 0.00 N ATOM 0 H ASN A 184 1.103 -3.011 -7.435 1.00 0.00 H new ATOM 0 HA ASN A 184 -1.124 -4.619 -7.905 1.00 0.00 H new ATOM 0 HB2 ASN A 184 1.788 -4.775 -8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 184 0.855 -6.248 -8.729 1.00 0.00 H new ATOM 0 HD21 ASN A 184 0.407 -3.161 -11.399 1.00 0.00 H new ATOM 0 HD22 ASN A 184 1.397 -2.998 -9.945 1.00 0.00 H new ATOM 279 N ILE A 185 1.072 -6.003 -5.814 1.00 0.00 N ATOM 280 CA ILE A 185 1.225 -7.059 -4.817 1.00 0.00 C ATOM 281 C ILE A 185 0.361 -6.823 -3.587 1.00 0.00 C ATOM 282 O ILE A 185 -0.125 -7.772 -2.977 1.00 0.00 O ATOM 283 CB ILE A 185 2.699 -7.281 -4.405 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.369 -6.004 -3.884 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.485 -7.847 -5.576 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.243 -5.804 -2.384 1.00 0.00 C ATOM 0 H ILE A 185 1.910 -5.442 -5.967 1.00 0.00 H new ATOM 0 HA ILE A 185 0.877 -7.970 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 185 2.698 -7.995 -3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.426 -6.027 -4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 185 2.932 -5.144 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.522 -8.001 -5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 185 3.050 -8.799 -5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.447 -7.148 -6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 185 3.743 -4.879 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 185 2.189 -5.746 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 185 3.706 -6.643 -1.865 1.00 0.00 H new ATOM 298 N THR A 186 0.173 -5.571 -3.213 1.00 0.00 N ATOM 299 CA THR A 186 -0.756 -5.256 -2.135 1.00 0.00 C ATOM 300 C THR A 186 -2.188 -5.571 -2.523 1.00 0.00 C ATOM 301 O THR A 186 -2.996 -5.909 -1.662 1.00 0.00 O ATOM 302 CB THR A 186 -0.637 -3.814 -1.625 1.00 0.00 C ATOM 303 OG1 THR A 186 -0.306 -2.937 -2.696 1.00 0.00 O ATOM 304 CG2 THR A 186 0.407 -3.717 -0.518 1.00 0.00 C ATOM 0 H THR A 186 0.640 -4.766 -3.629 1.00 0.00 H new ATOM 0 HA THR A 186 -0.469 -5.902 -1.305 1.00 0.00 H new ATOM 0 HB THR A 186 -1.601 -3.515 -1.213 1.00 0.00 H new ATOM 0 HG1 THR A 186 0.646 -2.711 -2.651 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.475 -2.686 -0.171 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.118 -4.361 0.313 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.376 -4.035 -0.903 1.00 0.00 H new ATOM 312 N VAL A 187 -2.518 -5.456 -3.802 1.00 0.00 N ATOM 313 CA VAL A 187 -3.816 -5.917 -4.262 1.00 0.00 C ATOM 314 C VAL A 187 -3.958 -7.405 -3.983 1.00 0.00 C ATOM 315 O VAL A 187 -4.972 -7.850 -3.445 1.00 0.00 O ATOM 316 CB VAL A 187 -4.052 -5.651 -5.766 1.00 0.00 C ATOM 317 CG1 VAL A 187 -5.232 -6.466 -6.280 1.00 0.00 C ATOM 318 CG2 VAL A 187 -4.291 -4.171 -6.019 1.00 0.00 C ATOM 0 H VAL A 187 -1.918 -5.056 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.568 -5.350 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 187 -3.156 -5.957 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.380 -6.263 -7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -5.030 -7.528 -6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -6.132 -6.191 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.455 -4.006 -7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -5.169 -3.844 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -3.421 -3.601 -5.693 1.00 0.00 H new ATOM 328 N LYS A 188 -2.920 -8.165 -4.322 1.00 0.00 N ATOM 329 CA LYS A 188 -2.886 -9.581 -4.018 1.00 0.00 C ATOM 330 C LYS A 188 -3.047 -9.787 -2.513 1.00 0.00 C ATOM 331 O LYS A 188 -3.847 -10.600 -2.064 1.00 0.00 O ATOM 332 CB LYS A 188 -1.561 -10.203 -4.480 1.00 0.00 C ATOM 333 CG LYS A 188 -1.457 -10.521 -5.970 1.00 0.00 C ATOM 334 CD LYS A 188 -1.036 -9.320 -6.811 1.00 0.00 C ATOM 335 CE LYS A 188 -2.211 -8.723 -7.573 1.00 0.00 C ATOM 336 NZ LYS A 188 -2.874 -9.717 -8.459 1.00 0.00 N ATOM 0 H LYS A 188 -2.093 -7.817 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.705 -10.069 -4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -0.751 -9.523 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.399 -11.124 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -0.738 -11.327 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.421 -10.886 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -0.598 -8.559 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 188 -0.262 -9.623 -7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 188 -2.939 -8.330 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -1.863 -7.881 -8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -3.251 -9.235 -9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -2.182 -10.436 -8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -3.653 -10.176 -7.944 1.00 0.00 H new ATOM 350 N GLN A 189 -2.291 -9.006 -1.753 1.00 0.00 N ATOM 351 CA GLN A 189 -2.297 -9.052 -0.294 1.00 0.00 C ATOM 352 C GLN A 189 -3.702 -8.857 0.267 1.00 0.00 C ATOM 353 O GLN A 189 -4.181 -9.654 1.077 1.00 0.00 O ATOM 354 CB GLN A 189 -1.392 -7.935 0.236 1.00 0.00 C ATOM 355 CG GLN A 189 -1.019 -8.072 1.696 1.00 0.00 C ATOM 356 CD GLN A 189 0.349 -8.702 1.883 1.00 0.00 C ATOM 357 OE1 GLN A 189 0.600 -9.392 2.869 1.00 0.00 O ATOM 358 NE2 GLN A 189 1.242 -8.460 0.936 1.00 0.00 N ATOM 0 H GLN A 189 -1.648 -8.313 -2.136 1.00 0.00 H new ATOM 0 HA GLN A 189 -1.937 -10.031 0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -0.479 -7.911 -0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -1.893 -6.978 0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -1.031 -7.089 2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -1.769 -8.678 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 189 0.991 -7.882 0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 189 2.181 -8.852 1.008 1.00 0.00 H new ATOM 367 N HIS A 190 -4.350 -7.791 -0.172 1.00 0.00 N ATOM 368 CA HIS A 190 -5.645 -7.405 0.358 1.00 0.00 C ATOM 369 C HIS A 190 -6.718 -8.393 -0.079 1.00 0.00 C ATOM 370 O HIS A 190 -7.562 -8.787 0.720 1.00 0.00 O ATOM 371 CB HIS A 190 -5.999 -5.989 -0.095 1.00 0.00 C ATOM 372 CG HIS A 190 -6.799 -5.219 0.911 1.00 0.00 C ATOM 373 ND1 HIS A 190 -7.759 -4.315 0.529 1.00 0.00 N ATOM 374 CD2 HIS A 190 -6.718 -5.230 2.264 1.00 0.00 C ATOM 375 CE1 HIS A 190 -8.239 -3.798 1.643 1.00 0.00 C ATOM 376 NE2 HIS A 190 -7.639 -4.323 2.723 1.00 0.00 N ATOM 0 H HIS A 190 -3.995 -7.173 -0.901 1.00 0.00 H new ATOM 0 HA HIS A 190 -5.594 -7.418 1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -5.079 -5.445 -0.309 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -6.561 -6.045 -1.028 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -6.056 -5.836 2.865 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -9.015 -3.048 1.682 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -7.831 -4.092 3.698 1.00 0.00 H new ATOM 383 N THR A 191 -6.665 -8.810 -1.341 1.00 0.00 N ATOM 384 CA THR A 191 -7.627 -9.775 -1.852 1.00 0.00 C ATOM 385 C THR A 191 -7.453 -11.133 -1.163 1.00 0.00 C ATOM 386 O THR A 191 -8.426 -11.827 -0.914 1.00 0.00 O ATOM 387 CB THR A 191 -7.542 -9.933 -3.384 1.00 0.00 C ATOM 388 OG1 THR A 191 -6.194 -10.186 -3.792 1.00 0.00 O ATOM 389 CG2 THR A 191 -8.054 -8.684 -4.078 1.00 0.00 C ATOM 0 H THR A 191 -5.972 -8.497 -2.021 1.00 0.00 H new ATOM 0 HA THR A 191 -8.619 -9.386 -1.622 1.00 0.00 H new ATOM 0 HB THR A 191 -8.165 -10.781 -3.668 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.742 -9.336 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.986 -8.814 -5.158 1.00 0.00 H new ATOM 0 HG22 THR A 191 -9.093 -8.512 -3.798 1.00 0.00 H new ATOM 0 HG23 THR A 191 -7.451 -7.827 -3.777 1.00 0.00 H new ATOM 397 N VAL A 192 -6.210 -11.501 -0.841 1.00 0.00 N ATOM 398 CA VAL A 192 -5.940 -12.698 -0.037 1.00 0.00 C ATOM 399 C VAL A 192 -6.535 -12.545 1.362 1.00 0.00 C ATOM 400 O VAL A 192 -7.209 -13.446 1.870 1.00 0.00 O ATOM 401 CB VAL A 192 -4.418 -12.986 0.065 1.00 0.00 C ATOM 402 CG1 VAL A 192 -4.120 -13.982 1.181 1.00 0.00 C ATOM 403 CG2 VAL A 192 -3.894 -13.520 -1.261 1.00 0.00 C ATOM 0 H VAL A 192 -5.375 -10.988 -1.124 1.00 0.00 H new ATOM 0 HA VAL A 192 -6.411 -13.543 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 192 -3.913 -12.049 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -3.046 -14.164 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -4.462 -13.575 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -4.639 -14.919 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -2.825 -13.718 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -4.416 -14.443 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -4.065 -12.781 -2.044 1.00 0.00 H new ATOM 413 N THR A 193 -6.300 -11.394 1.972 1.00 0.00 N ATOM 414 CA THR A 193 -6.865 -11.093 3.279 1.00 0.00 C ATOM 415 C THR A 193 -8.393 -11.168 3.227 1.00 0.00 C ATOM 416 O THR A 193 -9.045 -11.625 4.162 1.00 0.00 O ATOM 417 CB THR A 193 -6.424 -9.697 3.764 1.00 0.00 C ATOM 418 OG1 THR A 193 -4.993 -9.592 3.699 1.00 0.00 O ATOM 419 CG2 THR A 193 -6.888 -9.448 5.191 1.00 0.00 C ATOM 0 H THR A 193 -5.720 -10.651 1.582 1.00 0.00 H new ATOM 0 HA THR A 193 -6.494 -11.836 3.985 1.00 0.00 H new ATOM 0 HB THR A 193 -6.878 -8.948 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 193 -4.715 -9.488 2.765 1.00 0.00 H new ATOM 0 HG21 THR A 193 -6.565 -8.457 5.511 1.00 0.00 H new ATOM 0 HG22 THR A 193 -7.975 -9.507 5.236 1.00 0.00 H new ATOM 0 HG23 THR A 193 -6.456 -10.201 5.851 1.00 0.00 H new ATOM 427 N THR A 194 -8.949 -10.752 2.107 1.00 0.00 N ATOM 428 CA THR A 194 -10.381 -10.784 1.902 1.00 0.00 C ATOM 429 C THR A 194 -10.891 -12.197 1.591 1.00 0.00 C ATOM 430 O THR A 194 -11.957 -12.600 2.056 1.00 0.00 O ATOM 431 CB THR A 194 -10.780 -9.800 0.796 1.00 0.00 C ATOM 432 OG1 THR A 194 -11.108 -8.534 1.375 1.00 0.00 O ATOM 433 CG2 THR A 194 -11.934 -10.323 -0.028 1.00 0.00 C ATOM 0 H THR A 194 -8.421 -10.383 1.316 1.00 0.00 H new ATOM 0 HA THR A 194 -10.854 -10.477 2.835 1.00 0.00 H new ATOM 0 HB THR A 194 -9.931 -9.681 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 194 -10.502 -7.848 1.025 1.00 0.00 H new ATOM 0 HG21 THR A 194 -12.187 -9.598 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 194 -11.650 -11.266 -0.495 1.00 0.00 H new ATOM 0 HG23 THR A 194 -12.798 -10.483 0.617 1.00 0.00 H new ATOM 441 N THR A 195 -10.145 -12.961 0.822 1.00 0.00 N ATOM 442 CA THR A 195 -10.529 -14.329 0.566 1.00 0.00 C ATOM 443 C THR A 195 -10.440 -15.132 1.856 1.00 0.00 C ATOM 444 O THR A 195 -11.097 -16.144 2.022 1.00 0.00 O ATOM 445 CB THR A 195 -9.666 -14.976 -0.532 1.00 0.00 C ATOM 446 OG1 THR A 195 -9.732 -14.181 -1.723 1.00 0.00 O ATOM 447 CG2 THR A 195 -10.145 -16.389 -0.835 1.00 0.00 C ATOM 0 H THR A 195 -9.281 -12.662 0.370 1.00 0.00 H new ATOM 0 HA THR A 195 -11.557 -14.329 0.204 1.00 0.00 H new ATOM 0 HB THR A 195 -8.636 -15.028 -0.178 1.00 0.00 H new ATOM 0 HG1 THR A 195 -9.301 -13.316 -1.563 1.00 0.00 H new ATOM 0 HG21 THR A 195 -9.520 -16.826 -1.614 1.00 0.00 H new ATOM 0 HG22 THR A 195 -10.079 -16.997 0.067 1.00 0.00 H new ATOM 0 HG23 THR A 195 -11.180 -16.357 -1.176 1.00 0.00 H new ATOM 455 N THR A 196 -9.655 -14.655 2.797 1.00 0.00 N ATOM 456 CA THR A 196 -9.583 -15.319 4.076 1.00 0.00 C ATOM 457 C THR A 196 -10.484 -14.641 5.117 1.00 0.00 C ATOM 458 O THR A 196 -10.724 -15.194 6.189 1.00 0.00 O ATOM 459 CB THR A 196 -8.128 -15.395 4.580 1.00 0.00 C ATOM 460 OG1 THR A 196 -7.544 -14.086 4.594 1.00 0.00 O ATOM 461 CG2 THR A 196 -7.300 -16.303 3.683 1.00 0.00 C ATOM 0 H THR A 196 -9.069 -13.826 2.703 1.00 0.00 H new ATOM 0 HA THR A 196 -9.949 -16.336 3.934 1.00 0.00 H new ATOM 0 HB THR A 196 -8.137 -15.803 5.591 1.00 0.00 H new ATOM 0 HG1 THR A 196 -7.348 -13.806 3.676 1.00 0.00 H new ATOM 0 HG21 THR A 196 -6.276 -16.345 4.054 1.00 0.00 H new ATOM 0 HG22 THR A 196 -7.728 -17.305 3.685 1.00 0.00 H new ATOM 0 HG23 THR A 196 -7.302 -15.910 2.666 1.00 0.00 H new ATOM 469 N LYS A 197 -11.000 -13.446 4.797 1.00 0.00 N ATOM 470 CA LYS A 197 -11.984 -12.781 5.665 1.00 0.00 C ATOM 471 C LYS A 197 -13.329 -13.496 5.585 1.00 0.00 C ATOM 472 O LYS A 197 -14.287 -13.127 6.265 1.00 0.00 O ATOM 473 CB LYS A 197 -12.159 -11.294 5.291 1.00 0.00 C ATOM 474 CG LYS A 197 -13.097 -11.032 4.108 1.00 0.00 C ATOM 475 CD LYS A 197 -13.153 -9.553 3.748 1.00 0.00 C ATOM 476 CE LYS A 197 -13.940 -9.283 2.464 1.00 0.00 C ATOM 477 NZ LYS A 197 -13.994 -7.829 2.168 1.00 0.00 N ATOM 0 H LYS A 197 -10.757 -12.925 3.955 1.00 0.00 H new ATOM 0 HA LYS A 197 -11.607 -12.830 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -12.537 -10.758 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.180 -10.875 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -12.760 -11.604 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -14.099 -11.385 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -13.608 -9.001 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -12.138 -9.173 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -13.475 -9.810 1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -14.952 -9.675 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -14.986 -7.519 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -13.494 -7.304 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -13.539 -7.644 1.251 1.00 0.00 H new ATOM 491 N GLY A 198 -13.384 -14.528 4.753 1.00 0.00 N ATOM 492 CA GLY A 198 -14.605 -15.281 4.564 1.00 0.00 C ATOM 493 C GLY A 198 -14.877 -15.582 3.109 1.00 0.00 C ATOM 494 O GLY A 198 -15.943 -16.088 2.765 1.00 0.00 O ATOM 0 H GLY A 198 -12.593 -14.859 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -14.541 -16.216 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -15.442 -14.720 4.979 1.00 0.00 H new ATOM 498 N GLU A 199 -13.909 -15.246 2.255 1.00 0.00 N ATOM 499 CA GLU A 199 -13.953 -15.575 0.831 1.00 0.00 C ATOM 500 C GLU A 199 -15.084 -14.836 0.122 1.00 0.00 C ATOM 501 O GLU A 199 -15.532 -15.234 -0.952 1.00 0.00 O ATOM 502 CB GLU A 199 -14.133 -17.073 0.637 1.00 0.00 C ATOM 503 CG GLU A 199 -13.161 -17.951 1.400 1.00 0.00 C ATOM 504 CD GLU A 199 -13.598 -19.401 1.433 1.00 0.00 C ATOM 505 OE1 GLU A 199 -14.527 -19.725 2.206 1.00 0.00 O ATOM 506 OE2 GLU A 199 -13.017 -20.225 0.689 1.00 0.00 O ATOM 0 H GLU A 199 -13.070 -14.737 2.533 1.00 0.00 H new ATOM 0 HA GLU A 199 -13.005 -15.260 0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -15.147 -17.341 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -14.042 -17.298 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -12.175 -17.882 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -13.064 -17.580 2.420 1.00 0.00 H new ATOM 513 N ASN A 200 -15.514 -13.753 0.725 1.00 0.00 N ATOM 514 CA ASN A 200 -16.642 -12.969 0.224 1.00 0.00 C ATOM 515 C ASN A 200 -16.188 -11.628 -0.316 1.00 0.00 C ATOM 516 O ASN A 200 -16.403 -10.572 0.283 1.00 0.00 O ATOM 517 CB ASN A 200 -17.702 -12.784 1.308 1.00 0.00 C ATOM 518 CG ASN A 200 -18.703 -13.923 1.331 1.00 0.00 C ATOM 519 OD1 ASN A 200 -19.726 -13.870 0.653 1.00 0.00 O ATOM 520 ND2 ASN A 200 -18.418 -14.959 2.104 1.00 0.00 N ATOM 0 H ASN A 200 -15.098 -13.382 1.579 1.00 0.00 H new ATOM 0 HA ASN A 200 -17.088 -13.525 -0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -17.216 -12.710 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -18.228 -11.844 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -19.059 -15.751 2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -17.558 -14.965 2.652 1.00 0.00 H new ATOM 527 N PHE A 201 -15.539 -11.712 -1.453 1.00 0.00 N ATOM 528 CA PHE A 201 -15.152 -10.565 -2.251 1.00 0.00 C ATOM 529 C PHE A 201 -16.102 -10.437 -3.418 1.00 0.00 C ATOM 530 O PHE A 201 -16.524 -11.431 -4.008 1.00 0.00 O ATOM 531 CB PHE A 201 -13.730 -10.760 -2.749 1.00 0.00 C ATOM 532 CG PHE A 201 -13.453 -12.131 -3.315 1.00 0.00 C ATOM 533 CD1 PHE A 201 -13.658 -12.402 -4.658 1.00 0.00 C ATOM 534 CD2 PHE A 201 -12.986 -13.150 -2.498 1.00 0.00 C ATOM 535 CE1 PHE A 201 -13.404 -13.658 -5.176 1.00 0.00 C ATOM 536 CE2 PHE A 201 -12.731 -14.407 -3.012 1.00 0.00 C ATOM 537 CZ PHE A 201 -12.941 -14.661 -4.351 1.00 0.00 C ATOM 0 H PHE A 201 -15.256 -12.602 -1.863 1.00 0.00 H new ATOM 0 HA PHE A 201 -15.196 -9.656 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -13.520 -10.014 -3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -13.040 -10.573 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -14.021 -11.621 -5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -12.820 -12.959 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -13.568 -13.853 -6.225 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -12.367 -15.191 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 201 -12.743 -15.644 -4.753 1.00 0.00 H new ATOM 547 N THR A 202 -16.465 -9.224 -3.717 1.00 0.00 N ATOM 548 CA THR A 202 -17.218 -8.932 -4.875 1.00 0.00 C ATOM 549 C THR A 202 -16.394 -7.945 -5.677 1.00 0.00 C ATOM 550 O THR A 202 -15.498 -7.346 -5.093 1.00 0.00 O ATOM 551 CB THR A 202 -18.607 -8.344 -4.532 1.00 0.00 C ATOM 552 OG1 THR A 202 -19.236 -9.126 -3.504 1.00 0.00 O ATOM 553 CG2 THR A 202 -19.513 -8.312 -5.752 1.00 0.00 C ATOM 0 H THR A 202 -16.238 -8.408 -3.149 1.00 0.00 H new ATOM 0 HA THR A 202 -17.416 -9.842 -5.441 1.00 0.00 H new ATOM 0 HB THR A 202 -18.453 -7.323 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 202 -20.114 -8.744 -3.293 1.00 0.00 H new ATOM 0 HG21 THR A 202 -20.481 -7.893 -5.476 1.00 0.00 H new ATOM 0 HG22 THR A 202 -19.058 -7.695 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 202 -19.651 -9.325 -6.130 1.00 0.00 H new ATOM 561 N GLU A 203 -16.631 -7.756 -6.971 1.00 0.00 N ATOM 562 CA GLU A 203 -15.833 -6.774 -7.703 1.00 0.00 C ATOM 563 C GLU A 203 -15.943 -5.415 -7.028 1.00 0.00 C ATOM 564 O GLU A 203 -15.019 -4.609 -7.074 1.00 0.00 O ATOM 565 CB GLU A 203 -16.237 -6.680 -9.170 1.00 0.00 C ATOM 566 CG GLU A 203 -15.360 -5.716 -9.957 1.00 0.00 C ATOM 567 CD GLU A 203 -15.594 -5.788 -11.449 1.00 0.00 C ATOM 568 OE1 GLU A 203 -14.918 -6.599 -12.117 1.00 0.00 O ATOM 569 OE2 GLU A 203 -16.443 -5.031 -11.964 1.00 0.00 O ATOM 0 H GLU A 203 -17.339 -8.246 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 203 -14.795 -7.107 -7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -16.180 -7.670 -9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -17.276 -6.358 -9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -15.549 -4.699 -9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -14.313 -5.933 -9.748 1.00 0.00 H new ATOM 576 N THR A 204 -17.056 -5.215 -6.339 1.00 0.00 N ATOM 577 CA THR A 204 -17.263 -4.038 -5.517 1.00 0.00 C ATOM 578 C THR A 204 -16.175 -3.923 -4.473 1.00 0.00 C ATOM 579 O THR A 204 -15.472 -2.918 -4.375 1.00 0.00 O ATOM 580 CB THR A 204 -18.571 -4.189 -4.739 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.635 -4.530 -5.637 1.00 0.00 O ATOM 582 CG2 THR A 204 -18.908 -2.908 -3.987 1.00 0.00 C ATOM 0 H THR A 204 -17.841 -5.867 -6.336 1.00 0.00 H new ATOM 0 HA THR A 204 -17.270 -3.169 -6.175 1.00 0.00 H new ATOM 0 HB THR A 204 -18.448 -4.988 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.470 -4.627 -5.133 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.842 -3.041 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 204 -18.107 -2.677 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 204 -19.016 -2.087 -4.696 1.00 0.00 H new ATOM 590 N ASP A 205 -16.046 -4.993 -3.714 1.00 0.00 N ATOM 591 CA ASP A 205 -15.115 -5.049 -2.617 1.00 0.00 C ATOM 592 C ASP A 205 -13.701 -5.004 -3.139 1.00 0.00 C ATOM 593 O ASP A 205 -12.886 -4.267 -2.631 1.00 0.00 O ATOM 594 CB ASP A 205 -15.350 -6.321 -1.802 1.00 0.00 C ATOM 595 CG ASP A 205 -14.475 -6.417 -0.575 1.00 0.00 C ATOM 596 OD1 ASP A 205 -14.524 -5.501 0.270 1.00 0.00 O ATOM 597 OD2 ASP A 205 -13.762 -7.424 -0.433 1.00 0.00 O ATOM 0 H ASP A 205 -16.587 -5.847 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 205 -15.270 -4.187 -1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -16.396 -6.360 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -15.170 -7.189 -2.437 1.00 0.00 H new ATOM 602 N ILE A 206 -13.437 -5.752 -4.200 1.00 0.00 N ATOM 603 CA ILE A 206 -12.089 -5.891 -4.722 1.00 0.00 C ATOM 604 C ILE A 206 -11.598 -4.610 -5.379 1.00 0.00 C ATOM 605 O ILE A 206 -10.465 -4.196 -5.148 1.00 0.00 O ATOM 606 CB ILE A 206 -12.000 -7.068 -5.705 1.00 0.00 C ATOM 607 CG1 ILE A 206 -12.580 -8.313 -5.041 1.00 0.00 C ATOM 608 CG2 ILE A 206 -10.553 -7.314 -6.091 1.00 0.00 C ATOM 609 CD1 ILE A 206 -13.133 -9.334 -5.999 1.00 0.00 C ATOM 0 H ILE A 206 -14.144 -6.274 -4.718 1.00 0.00 H new ATOM 0 HA ILE A 206 -11.437 -6.096 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.566 -6.835 -6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -11.803 -8.783 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -13.373 -8.008 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -10.500 -8.150 -6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -10.146 -6.420 -6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -9.973 -7.548 -5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -13.523 -10.184 -5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -13.935 -8.886 -6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -12.341 -9.672 -6.667 1.00 0.00 H new ATOM 621 N LYS A 207 -12.441 -3.967 -6.176 1.00 0.00 N ATOM 622 CA LYS A 207 -12.065 -2.696 -6.775 1.00 0.00 C ATOM 623 C LYS A 207 -11.798 -1.690 -5.670 1.00 0.00 C ATOM 624 O LYS A 207 -10.770 -1.025 -5.674 1.00 0.00 O ATOM 625 CB LYS A 207 -13.142 -2.209 -7.763 1.00 0.00 C ATOM 626 CG LYS A 207 -14.394 -1.614 -7.128 1.00 0.00 C ATOM 627 CD LYS A 207 -15.527 -1.487 -8.136 1.00 0.00 C ATOM 628 CE LYS A 207 -15.075 -0.830 -9.432 1.00 0.00 C ATOM 629 NZ LYS A 207 -14.661 0.587 -9.249 1.00 0.00 N ATOM 0 H LYS A 207 -13.374 -4.298 -6.419 1.00 0.00 H new ATOM 0 HA LYS A 207 -11.152 -2.819 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -12.697 -1.460 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -13.439 -3.048 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.715 -2.242 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -14.162 -0.632 -6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.929 -2.476 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.336 -0.903 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -14.242 -1.396 -9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -15.886 -0.875 -10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -14.364 0.983 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -15.461 1.137 -8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -13.868 0.633 -8.578 1.00 0.00 H new ATOM 643 N ALA A 208 -12.684 -1.651 -4.677 1.00 0.00 N ATOM 644 CA ALA A 208 -12.509 -0.771 -3.535 1.00 0.00 C ATOM 645 C ALA A 208 -11.236 -1.128 -2.773 1.00 0.00 C ATOM 646 O ALA A 208 -10.508 -0.246 -2.319 1.00 0.00 O ATOM 647 CB ALA A 208 -13.728 -0.833 -2.625 1.00 0.00 C ATOM 0 H ALA A 208 -13.529 -2.221 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 208 -12.408 0.252 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -13.581 -0.168 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.613 -0.522 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.864 -1.854 -2.268 1.00 0.00 H new ATOM 653 N MET A 209 -10.964 -2.428 -2.663 1.00 0.00 N ATOM 654 CA MET A 209 -9.741 -2.919 -2.037 1.00 0.00 C ATOM 655 C MET A 209 -8.534 -2.328 -2.741 1.00 0.00 C ATOM 656 O MET A 209 -7.675 -1.741 -2.104 1.00 0.00 O ATOM 657 CB MET A 209 -9.658 -4.460 -2.069 1.00 0.00 C ATOM 658 CG MET A 209 -10.659 -5.162 -1.157 1.00 0.00 C ATOM 659 SD MET A 209 -10.234 -6.886 -0.828 1.00 0.00 S ATOM 660 CE MET A 209 -11.177 -7.768 -2.081 1.00 0.00 C ATOM 0 H MET A 209 -11.582 -3.165 -3.003 1.00 0.00 H new ATOM 0 HA MET A 209 -9.754 -2.608 -0.992 1.00 0.00 H new ATOM 0 HB2 MET A 209 -9.817 -4.799 -3.093 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.650 -4.764 -1.785 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.720 -4.623 -0.212 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.648 -5.119 -1.613 1.00 0.00 H new ATOM 0 HE1 MET A 209 -11.114 -8.840 -1.896 1.00 0.00 H new ATOM 0 HE2 MET A 209 -12.220 -7.453 -2.040 1.00 0.00 H new ATOM 0 HE3 MET A 209 -10.769 -7.545 -3.067 1.00 0.00 H new ATOM 670 N GLU A 210 -8.507 -2.451 -4.063 1.00 0.00 N ATOM 671 CA GLU A 210 -7.401 -1.950 -4.877 1.00 0.00 C ATOM 672 C GLU A 210 -7.152 -0.459 -4.652 1.00 0.00 C ATOM 673 O GLU A 210 -6.020 0.007 -4.749 1.00 0.00 O ATOM 674 CB GLU A 210 -7.675 -2.211 -6.358 1.00 0.00 C ATOM 675 CG GLU A 210 -7.827 -3.684 -6.699 1.00 0.00 C ATOM 676 CD GLU A 210 -8.114 -3.913 -8.166 1.00 0.00 C ATOM 677 OE1 GLU A 210 -9.261 -3.687 -8.595 1.00 0.00 O ATOM 678 OE2 GLU A 210 -7.190 -4.316 -8.904 1.00 0.00 O ATOM 0 H GLU A 210 -9.248 -2.899 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.503 -2.487 -4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.584 -1.684 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -6.860 -1.792 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -6.915 -4.213 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.634 -4.110 -6.103 1.00 0.00 H new ATOM 685 N ARG A 211 -8.206 0.287 -4.345 1.00 0.00 N ATOM 686 CA ARG A 211 -8.072 1.726 -4.123 1.00 0.00 C ATOM 687 C ARG A 211 -7.371 1.974 -2.796 1.00 0.00 C ATOM 688 O ARG A 211 -6.411 2.739 -2.702 1.00 0.00 O ATOM 689 CB ARG A 211 -9.439 2.423 -4.109 1.00 0.00 C ATOM 690 CG ARG A 211 -10.476 1.810 -5.038 1.00 0.00 C ATOM 691 CD ARG A 211 -9.927 1.550 -6.446 1.00 0.00 C ATOM 692 NE ARG A 211 -9.695 2.779 -7.208 1.00 0.00 N ATOM 693 CZ ARG A 211 -8.605 3.003 -7.952 1.00 0.00 C ATOM 694 NH1 ARG A 211 -7.615 2.114 -7.976 1.00 0.00 N ATOM 695 NH2 ARG A 211 -8.492 4.121 -8.656 1.00 0.00 N ATOM 0 H ARG A 211 -9.155 -0.073 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.485 2.139 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.829 2.407 -3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -9.301 3.469 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -10.831 0.872 -4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -11.337 2.475 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -8.992 0.996 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -10.628 0.918 -6.992 1.00 0.00 H new ATOM 0 HE ARG A 211 -10.407 3.508 -7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -7.685 1.258 -7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -6.786 2.289 -8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -9.238 4.816 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -7.659 4.286 -9.221 1.00 0.00 H new ATOM 709 N VAL A 212 -7.862 1.313 -1.771 1.00 0.00 N ATOM 710 CA VAL A 212 -7.252 1.383 -0.453 1.00 0.00 C ATOM 711 C VAL A 212 -5.828 0.848 -0.509 1.00 0.00 C ATOM 712 O VAL A 212 -4.949 1.312 0.203 1.00 0.00 O ATOM 713 CB VAL A 212 -8.067 0.573 0.574 1.00 0.00 C ATOM 714 CG1 VAL A 212 -7.630 0.897 1.996 1.00 0.00 C ATOM 715 CG2 VAL A 212 -9.551 0.830 0.379 1.00 0.00 C ATOM 0 H VAL A 212 -8.687 0.716 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 212 -7.237 2.427 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.878 -0.488 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -8.221 0.312 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -6.575 0.653 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -7.781 1.959 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -10.119 0.253 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -9.757 1.892 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.843 0.530 -0.627 1.00 0.00 H new ATOM 725 N VAL A 213 -5.629 -0.130 -1.376 1.00 0.00 N ATOM 726 CA VAL A 213 -4.330 -0.752 -1.602 1.00 0.00 C ATOM 727 C VAL A 213 -3.315 0.215 -2.216 1.00 0.00 C ATOM 728 O VAL A 213 -2.148 0.227 -1.812 1.00 0.00 O ATOM 729 CB VAL A 213 -4.485 -1.991 -2.505 1.00 0.00 C ATOM 730 CG1 VAL A 213 -3.169 -2.378 -3.135 1.00 0.00 C ATOM 731 CG2 VAL A 213 -5.040 -3.155 -1.708 1.00 0.00 C ATOM 0 H VAL A 213 -6.374 -0.522 -1.952 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.945 -1.050 -0.627 1.00 0.00 H new ATOM 0 HB VAL A 213 -5.182 -1.738 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -3.312 -3.255 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.799 -1.551 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -2.445 -2.607 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -5.145 -4.024 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.360 -3.393 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -6.015 -2.886 -1.302 1.00 0.00 H new ATOM 741 N GLU A 214 -3.738 1.026 -3.183 1.00 0.00 N ATOM 742 CA GLU A 214 -2.828 1.996 -3.781 1.00 0.00 C ATOM 743 C GLU A 214 -2.339 2.946 -2.695 1.00 0.00 C ATOM 744 O GLU A 214 -1.160 3.289 -2.632 1.00 0.00 O ATOM 745 CB GLU A 214 -3.495 2.760 -4.940 1.00 0.00 C ATOM 746 CG GLU A 214 -4.477 3.835 -4.507 1.00 0.00 C ATOM 747 CD GLU A 214 -5.298 4.378 -5.653 1.00 0.00 C ATOM 748 OE1 GLU A 214 -4.703 4.820 -6.654 1.00 0.00 O ATOM 749 OE2 GLU A 214 -6.543 4.374 -5.552 1.00 0.00 O ATOM 0 H GLU A 214 -4.685 1.032 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 214 -1.975 1.470 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -2.717 3.221 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -4.017 2.045 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -5.146 3.425 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -3.929 4.653 -4.039 1.00 0.00 H new ATOM 756 N GLN A 215 -3.248 3.321 -1.808 1.00 0.00 N ATOM 757 CA GLN A 215 -2.900 4.121 -0.648 1.00 0.00 C ATOM 758 C GLN A 215 -2.153 3.294 0.380 1.00 0.00 C ATOM 759 O GLN A 215 -1.414 3.839 1.173 1.00 0.00 O ATOM 760 CB GLN A 215 -4.139 4.756 -0.032 1.00 0.00 C ATOM 761 CG GLN A 215 -4.683 5.912 -0.854 1.00 0.00 C ATOM 762 CD GLN A 215 -3.723 7.089 -0.915 1.00 0.00 C ATOM 763 OE1 GLN A 215 -3.757 7.977 -0.066 1.00 0.00 O ATOM 764 NE2 GLN A 215 -2.865 7.109 -1.926 1.00 0.00 N ATOM 0 H GLN A 215 -4.237 3.081 -1.872 1.00 0.00 H new ATOM 0 HA GLN A 215 -2.239 4.921 -0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -4.914 3.997 0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -3.899 5.111 0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -4.893 5.566 -1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -5.630 6.242 -0.427 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -2.867 6.354 -2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -2.203 7.880 -2.018 1.00 0.00 H new ATOM 773 N MET A 216 -2.365 1.989 0.383 1.00 0.00 N ATOM 774 CA MET A 216 -1.666 1.108 1.308 1.00 0.00 C ATOM 775 C MET A 216 -0.167 1.138 1.036 1.00 0.00 C ATOM 776 O MET A 216 0.638 1.326 1.945 1.00 0.00 O ATOM 777 CB MET A 216 -2.220 -0.325 1.231 1.00 0.00 C ATOM 778 CG MET A 216 -1.552 -1.291 2.197 1.00 0.00 C ATOM 779 SD MET A 216 -2.603 -2.691 2.658 1.00 0.00 S ATOM 780 CE MET A 216 -2.671 -3.627 1.132 1.00 0.00 C ATOM 0 H MET A 216 -3.015 1.515 -0.244 1.00 0.00 H new ATOM 0 HA MET A 216 -1.835 1.468 2.323 1.00 0.00 H new ATOM 0 HB2 MET A 216 -3.290 -0.303 1.435 1.00 0.00 H new ATOM 0 HB3 MET A 216 -2.097 -0.698 0.214 1.00 0.00 H new ATOM 0 HG2 MET A 216 -0.635 -1.668 1.745 1.00 0.00 H new ATOM 0 HG3 MET A 216 -1.264 -0.750 3.099 1.00 0.00 H new ATOM 0 HE1 MET A 216 -3.599 -4.198 1.097 1.00 0.00 H new ATOM 0 HE2 MET A 216 -2.633 -2.943 0.284 1.00 0.00 H new ATOM 0 HE3 MET A 216 -1.823 -4.310 1.086 1.00 0.00 H new ATOM 790 N CYS A 217 0.196 0.994 -0.226 1.00 0.00 N ATOM 791 CA CYS A 217 1.600 1.051 -0.634 1.00 0.00 C ATOM 792 C CYS A 217 2.134 2.475 -0.648 1.00 0.00 C ATOM 793 O CYS A 217 3.276 2.715 -0.274 1.00 0.00 O ATOM 794 CB CYS A 217 1.795 0.409 -2.002 1.00 0.00 C ATOM 795 SG CYS A 217 2.039 -1.386 -1.916 1.00 0.00 S ATOM 0 H CYS A 217 -0.459 0.836 -0.992 1.00 0.00 H new ATOM 0 HA CYS A 217 2.167 0.489 0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.926 0.622 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 217 2.656 0.864 -2.491 1.00 0.00 H new ATOM 800 N ILE A 218 1.315 3.420 -1.076 1.00 0.00 N ATOM 801 CA ILE A 218 1.716 4.816 -1.062 1.00 0.00 C ATOM 802 C ILE A 218 1.897 5.291 0.379 1.00 0.00 C ATOM 803 O ILE A 218 2.770 6.097 0.676 1.00 0.00 O ATOM 804 CB ILE A 218 0.706 5.679 -1.857 1.00 0.00 C ATOM 805 CG1 ILE A 218 0.919 5.431 -3.351 1.00 0.00 C ATOM 806 CG2 ILE A 218 0.851 7.152 -1.546 1.00 0.00 C ATOM 807 CD1 ILE A 218 -0.090 6.105 -4.258 1.00 0.00 C ATOM 0 H ILE A 218 0.376 3.249 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 218 2.679 4.926 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 218 -0.303 5.390 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 218 1.917 5.774 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 218 0.890 4.357 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 218 0.123 7.720 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 218 0.677 7.318 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 218 1.857 7.481 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 218 0.142 5.872 -5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -1.091 5.745 -4.020 1.00 0.00 H new ATOM 0 HD13 ILE A 218 -0.048 7.184 -4.110 1.00 0.00 H new ATOM 819 N THR A 219 1.100 4.748 1.279 1.00 0.00 N ATOM 820 CA THR A 219 1.338 4.934 2.708 1.00 0.00 C ATOM 821 C THR A 219 2.699 4.361 3.111 1.00 0.00 C ATOM 822 O THR A 219 3.483 5.015 3.802 1.00 0.00 O ATOM 823 CB THR A 219 0.225 4.282 3.559 1.00 0.00 C ATOM 824 OG1 THR A 219 -0.991 5.027 3.433 1.00 0.00 O ATOM 825 CG2 THR A 219 0.618 4.180 5.025 1.00 0.00 C ATOM 0 H THR A 219 0.285 4.177 1.054 1.00 0.00 H new ATOM 0 HA THR A 219 1.331 6.007 2.899 1.00 0.00 H new ATOM 0 HB THR A 219 0.076 3.270 3.183 1.00 0.00 H new ATOM 0 HG1 THR A 219 -1.445 4.774 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.192 3.716 5.587 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.519 3.573 5.119 1.00 0.00 H new ATOM 0 HG23 THR A 219 0.810 5.177 5.421 1.00 0.00 H new ATOM 833 N GLN A 220 2.984 3.148 2.654 1.00 0.00 N ATOM 834 CA GLN A 220 4.262 2.501 2.944 1.00 0.00 C ATOM 835 C GLN A 220 5.428 3.320 2.400 1.00 0.00 C ATOM 836 O GLN A 220 6.506 3.355 2.994 1.00 0.00 O ATOM 837 CB GLN A 220 4.306 1.086 2.366 1.00 0.00 C ATOM 838 CG GLN A 220 3.295 0.143 2.995 1.00 0.00 C ATOM 839 CD GLN A 220 3.461 0.011 4.500 1.00 0.00 C ATOM 840 OE1 GLN A 220 2.488 -0.200 5.221 1.00 0.00 O ATOM 841 NE2 GLN A 220 4.693 0.111 4.983 1.00 0.00 N ATOM 0 H GLN A 220 2.350 2.591 2.081 1.00 0.00 H new ATOM 0 HA GLN A 220 4.356 2.438 4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 220 4.126 1.135 1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 220 5.307 0.677 2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 220 2.289 0.500 2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 220 3.391 -0.841 2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 220 5.475 0.287 4.352 1.00 0.00 H new ATOM 0 HE22 GLN A 220 4.858 0.012 5.985 1.00 0.00 H new ATOM 850 N TYR A 221 5.208 3.979 1.271 1.00 0.00 N ATOM 851 CA TYR A 221 6.229 4.823 0.671 1.00 0.00 C ATOM 852 C TYR A 221 6.474 6.065 1.536 1.00 0.00 C ATOM 853 O TYR A 221 7.617 6.497 1.713 1.00 0.00 O ATOM 854 CB TYR A 221 5.834 5.185 -0.776 1.00 0.00 C ATOM 855 CG TYR A 221 5.696 6.672 -1.071 1.00 0.00 C ATOM 856 CD1 TYR A 221 6.807 7.506 -1.142 1.00 0.00 C ATOM 857 CD2 TYR A 221 4.447 7.240 -1.278 1.00 0.00 C ATOM 858 CE1 TYR A 221 6.670 8.856 -1.402 1.00 0.00 C ATOM 859 CE2 TYR A 221 4.304 8.586 -1.544 1.00 0.00 C ATOM 860 CZ TYR A 221 5.418 9.391 -1.603 1.00 0.00 C ATOM 861 OH TYR A 221 5.280 10.739 -1.860 1.00 0.00 O ATOM 0 H TYR A 221 4.330 3.945 0.752 1.00 0.00 H new ATOM 0 HA TYR A 221 7.170 4.275 0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 221 6.580 4.767 -1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 221 4.886 4.698 -1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 221 7.793 7.091 -0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 221 3.568 6.615 -1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 221 7.543 9.490 -1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 221 3.322 9.006 -1.705 1.00 0.00 H new ATOM 0 HH TYR A 221 4.331 10.954 -1.979 1.00 0.00 H new ATOM 871 N GLN A 222 5.399 6.621 2.089 1.00 0.00 N ATOM 872 CA GLN A 222 5.503 7.772 2.983 1.00 0.00 C ATOM 873 C GLN A 222 6.268 7.379 4.241 1.00 0.00 C ATOM 874 O GLN A 222 7.089 8.144 4.764 1.00 0.00 O ATOM 875 CB GLN A 222 4.108 8.280 3.355 1.00 0.00 C ATOM 876 CG GLN A 222 3.306 8.783 2.166 1.00 0.00 C ATOM 877 CD GLN A 222 1.900 9.207 2.543 1.00 0.00 C ATOM 878 OE1 GLN A 222 1.305 8.675 3.478 1.00 0.00 O ATOM 879 NE2 GLN A 222 1.357 10.165 1.811 1.00 0.00 N ATOM 0 H GLN A 222 4.446 6.293 1.934 1.00 0.00 H new ATOM 0 HA GLN A 222 6.041 8.571 2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 222 3.555 7.476 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 222 4.206 9.085 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 222 3.826 9.627 1.714 1.00 0.00 H new ATOM 0 HG3 GLN A 222 3.254 7.999 1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 222 1.884 10.581 1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 222 0.411 10.488 2.014 1.00 0.00 H new ATOM 888 N ARG A 223 5.990 6.173 4.716 1.00 0.00 N ATOM 889 CA ARG A 223 6.676 5.626 5.872 1.00 0.00 C ATOM 890 C ARG A 223 8.166 5.445 5.605 1.00 0.00 C ATOM 891 O ARG A 223 8.979 5.661 6.494 1.00 0.00 O ATOM 892 CB ARG A 223 6.046 4.291 6.288 1.00 0.00 C ATOM 893 CG ARG A 223 6.930 3.440 7.191 1.00 0.00 C ATOM 894 CD ARG A 223 7.545 2.284 6.418 1.00 0.00 C ATOM 895 NE ARG A 223 8.523 1.536 7.203 1.00 0.00 N ATOM 896 CZ ARG A 223 8.223 0.514 8.005 1.00 0.00 C ATOM 897 NH1 ARG A 223 6.956 0.184 8.240 1.00 0.00 N ATOM 898 NH2 ARG A 223 9.194 -0.167 8.595 1.00 0.00 N ATOM 0 H ARG A 223 5.288 5.553 4.313 1.00 0.00 H new ATOM 0 HA ARG A 223 6.567 6.340 6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 223 5.105 4.490 6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 223 5.805 3.720 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 223 7.720 4.057 7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 223 6.341 3.054 8.023 1.00 0.00 H new ATOM 0 HD2 ARG A 223 6.754 1.609 6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 223 8.025 2.669 5.519 1.00 0.00 H new ATOM 0 HE ARG A 223 9.502 1.814 7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 223 6.202 0.715 7.805 1.00 0.00 H new ATOM 0 HH12 ARG A 223 6.739 -0.600 8.855 1.00 0.00 H new ATOM 0 HH21 ARG A 223 10.168 0.091 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 223 8.968 -0.949 9.209 1.00 0.00 H new ATOM 912 N GLU A 224 8.524 5.056 4.390 1.00 0.00 N ATOM 913 CA GLU A 224 9.916 4.754 4.085 1.00 0.00 C ATOM 914 C GLU A 224 10.772 6.009 4.132 1.00 0.00 C ATOM 915 O GLU A 224 11.857 6.014 4.711 1.00 0.00 O ATOM 916 CB GLU A 224 10.074 4.127 2.708 1.00 0.00 C ATOM 917 CG GLU A 224 11.352 3.332 2.608 1.00 0.00 C ATOM 918 CD GLU A 224 11.261 2.031 3.387 1.00 0.00 C ATOM 919 OE1 GLU A 224 10.357 1.219 3.097 1.00 0.00 O ATOM 920 OE2 GLU A 224 12.058 1.839 4.328 1.00 0.00 O ATOM 0 H GLU A 224 7.880 4.943 3.608 1.00 0.00 H new ATOM 0 HA GLU A 224 10.246 4.045 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 224 9.223 3.478 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 224 10.070 4.908 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 224 11.567 3.116 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 224 12.183 3.927 2.988 1.00 0.00 H new ATOM 927 N SER A 225 10.283 7.066 3.513 1.00 0.00 N ATOM 928 CA SER A 225 11.036 8.300 3.440 1.00 0.00 C ATOM 929 C SER A 225 11.255 8.884 4.825 1.00 0.00 C ATOM 930 O SER A 225 12.343 9.371 5.130 1.00 0.00 O ATOM 931 CB SER A 225 10.325 9.292 2.518 1.00 0.00 C ATOM 932 OG SER A 225 8.919 9.212 2.680 1.00 0.00 O ATOM 0 H SER A 225 9.372 7.094 3.056 1.00 0.00 H new ATOM 0 HA SER A 225 12.019 8.089 3.020 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.664 10.305 2.736 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.588 9.084 1.481 1.00 0.00 H new ATOM 0 HG SER A 225 8.711 8.922 3.593 1.00 0.00 H new ATOM 938 N GLN A 226 10.234 8.827 5.671 1.00 0.00 N ATOM 939 CA GLN A 226 10.390 9.268 7.047 1.00 0.00 C ATOM 940 C GLN A 226 11.244 8.281 7.831 1.00 0.00 C ATOM 941 O GLN A 226 11.946 8.664 8.764 1.00 0.00 O ATOM 942 CB GLN A 226 9.026 9.475 7.719 1.00 0.00 C ATOM 943 CG GLN A 226 8.306 8.194 8.123 1.00 0.00 C ATOM 944 CD GLN A 226 8.339 7.944 9.623 1.00 0.00 C ATOM 945 OE1 GLN A 226 7.450 8.375 10.356 1.00 0.00 O ATOM 946 NE2 GLN A 226 9.362 7.244 10.094 1.00 0.00 N ATOM 0 H GLN A 226 9.303 8.485 5.432 1.00 0.00 H new ATOM 0 HA GLN A 226 10.903 10.230 7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 226 9.165 10.091 8.607 1.00 0.00 H new ATOM 0 HB3 GLN A 226 8.384 10.036 7.039 1.00 0.00 H new ATOM 0 HG2 GLN A 226 7.269 8.246 7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 226 8.763 7.349 7.609 1.00 0.00 H new ATOM 0 HE21 GLN A 226 10.082 6.902 9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 226 9.429 7.048 11.093 1.00 0.00 H new ATOM 955 N ALA A 227 11.168 7.011 7.447 1.00 0.00 N ATOM 956 CA ALA A 227 11.930 5.957 8.105 1.00 0.00 C ATOM 957 C ALA A 227 13.410 6.294 8.147 1.00 0.00 C ATOM 958 O ALA A 227 14.026 6.297 9.217 1.00 0.00 O ATOM 959 CB ALA A 227 11.726 4.622 7.398 1.00 0.00 C ATOM 0 H ALA A 227 10.582 6.686 6.678 1.00 0.00 H new ATOM 0 HA ALA A 227 11.563 5.877 9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 227 12.304 3.849 7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 227 10.669 4.357 7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 227 12.059 4.703 6.363 1.00 0.00 H new ATOM 965 N TYR A 228 14.002 6.576 6.997 1.00 0.00 N ATOM 966 CA TYR A 228 15.404 6.935 6.993 1.00 0.00 C ATOM 967 C TYR A 228 15.607 8.444 7.072 1.00 0.00 C ATOM 968 O TYR A 228 16.653 8.903 7.531 1.00 0.00 O ATOM 969 CB TYR A 228 16.151 6.357 5.792 1.00 0.00 C ATOM 970 CG TYR A 228 17.653 6.367 5.998 1.00 0.00 C ATOM 971 CD1 TYR A 228 18.288 5.322 6.661 1.00 0.00 C ATOM 972 CD2 TYR A 228 18.428 7.434 5.564 1.00 0.00 C ATOM 973 CE1 TYR A 228 19.653 5.344 6.886 1.00 0.00 C ATOM 974 CE2 TYR A 228 19.792 7.458 5.780 1.00 0.00 C ATOM 975 CZ TYR A 228 20.398 6.413 6.441 1.00 0.00 C ATOM 976 OH TYR A 228 21.758 6.446 6.667 1.00 0.00 O ATOM 0 H TYR A 228 13.548 6.564 6.084 1.00 0.00 H new ATOM 0 HA TYR A 228 15.830 6.489 7.892 1.00 0.00 H new ATOM 0 HB2 TYR A 228 15.816 5.335 5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 228 15.904 6.933 4.900 1.00 0.00 H new ATOM 0 HD1 TYR A 228 17.706 4.480 7.006 1.00 0.00 H new ATOM 0 HD2 TYR A 228 17.957 8.258 5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 228 20.131 4.528 7.407 1.00 0.00 H new ATOM 0 HE2 TYR A 228 20.381 8.293 5.432 1.00 0.00 H new ATOM 0 HH TYR A 228 22.133 7.268 6.288 1.00 0.00 H new ATOM 986 N TYR A 229 14.595 9.208 6.656 1.00 0.00 N ATOM 987 CA TYR A 229 14.737 10.648 6.476 1.00 0.00 C ATOM 988 C TYR A 229 15.763 10.945 5.388 1.00 0.00 C ATOM 989 O TYR A 229 16.766 11.610 5.638 1.00 0.00 O ATOM 990 CB TYR A 229 15.133 11.359 7.779 1.00 0.00 C ATOM 991 CG TYR A 229 14.036 11.413 8.815 1.00 0.00 C ATOM 992 CD1 TYR A 229 12.875 12.140 8.585 1.00 0.00 C ATOM 993 CD2 TYR A 229 14.168 10.754 10.029 1.00 0.00 C ATOM 994 CE1 TYR A 229 11.876 12.207 9.535 1.00 0.00 C ATOM 995 CE2 TYR A 229 13.172 10.813 10.983 1.00 0.00 C ATOM 996 CZ TYR A 229 12.029 11.540 10.733 1.00 0.00 C ATOM 997 OH TYR A 229 11.040 11.607 11.687 1.00 0.00 O ATOM 0 H TYR A 229 13.666 8.848 6.438 1.00 0.00 H new ATOM 0 HA TYR A 229 13.763 11.034 6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 229 15.997 10.852 8.208 1.00 0.00 H new ATOM 0 HB3 TYR A 229 15.445 12.377 7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 229 12.752 12.661 7.647 1.00 0.00 H new ATOM 0 HD2 TYR A 229 15.064 10.186 10.231 1.00 0.00 H new ATOM 0 HE1 TYR A 229 10.980 12.778 9.342 1.00 0.00 H new ATOM 0 HE2 TYR A 229 13.288 10.291 11.921 1.00 0.00 H new ATOM 0 HH TYR A 229 11.305 11.081 12.470 1.00 0.00 H new ATOM 1007 N GLN A 230 15.517 10.415 4.185 1.00 0.00 N ATOM 1008 CA GLN A 230 16.351 10.724 3.021 1.00 0.00 C ATOM 1009 C GLN A 230 16.470 12.240 2.868 1.00 0.00 C ATOM 1010 O GLN A 230 17.483 12.828 3.241 1.00 0.00 O ATOM 1011 CB GLN A 230 15.790 10.073 1.753 1.00 0.00 C ATOM 1012 CG GLN A 230 14.302 10.058 1.717 1.00 0.00 C ATOM 1013 CD GLN A 230 13.747 9.323 0.514 1.00 0.00 C ATOM 1014 OE1 GLN A 230 12.683 8.725 0.586 1.00 0.00 O ATOM 1015 NE2 GLN A 230 14.462 9.368 -0.601 1.00 0.00 N ATOM 0 H GLN A 230 14.749 9.772 3.993 1.00 0.00 H new ATOM 0 HA GLN A 230 17.348 10.310 3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 230 16.164 10.609 0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 230 16.160 9.050 1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 230 13.927 9.590 2.627 1.00 0.00 H new ATOM 0 HG3 GLN A 230 13.934 11.084 1.711 1.00 0.00 H new ATOM 0 HE21 GLN A 230 15.345 9.878 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 230 14.129 8.893 -1.440 1.00 0.00 H new ATOM 1024 N ARG A 231 15.450 12.871 2.303 1.00 0.00 N ATOM 1025 CA ARG A 231 15.237 14.290 2.540 1.00 0.00 C ATOM 1026 C ARG A 231 14.375 14.439 3.783 1.00 0.00 C ATOM 1027 O ARG A 231 14.408 15.453 4.478 1.00 0.00 O ATOM 1028 CB ARG A 231 14.578 15.003 1.356 1.00 0.00 C ATOM 1029 CG ARG A 231 13.594 14.155 0.576 1.00 0.00 C ATOM 1030 CD ARG A 231 14.236 13.637 -0.692 1.00 0.00 C ATOM 1031 NE ARG A 231 14.592 14.730 -1.597 1.00 0.00 N ATOM 1032 CZ ARG A 231 13.948 14.998 -2.734 1.00 0.00 C ATOM 1033 NH1 ARG A 231 12.917 14.253 -3.107 1.00 0.00 N ATOM 1034 NH2 ARG A 231 14.327 16.016 -3.494 1.00 0.00 N ATOM 0 H ARG A 231 14.767 12.430 1.687 1.00 0.00 H new ATOM 0 HA ARG A 231 16.210 14.761 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 231 14.061 15.889 1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 231 15.358 15.348 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 231 13.258 13.319 1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 231 12.711 14.745 0.330 1.00 0.00 H new ATOM 0 HD2 ARG A 231 15.129 13.065 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 231 13.551 12.955 -1.195 1.00 0.00 H new ATOM 0 HE ARG A 231 15.381 15.324 -1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 231 12.614 13.473 -2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 231 12.426 14.460 -3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 231 15.115 16.599 -3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 231 13.831 16.216 -4.362 1.00 0.00 H new ATOM 1048 N GLY A 232 13.597 13.394 4.037 1.00 0.00 N ATOM 1049 CA GLY A 232 12.695 13.366 5.146 1.00 0.00 C ATOM 1050 C GLY A 232 11.300 13.146 4.644 1.00 0.00 C ATOM 1051 O GLY A 232 11.057 12.179 3.922 1.00 0.00 O ATOM 0 H GLY A 232 13.585 12.547 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 232 12.975 12.571 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 232 12.751 14.304 5.699 1.00 0.00 H new ATOM 1055 N ALA A 233 10.401 14.054 4.969 1.00 0.00 N ATOM 1056 CA ALA A 233 9.022 13.942 4.534 1.00 0.00 C ATOM 1057 C ALA A 233 8.246 15.196 4.904 1.00 0.00 C ATOM 1058 O ALA A 233 7.409 15.181 5.811 1.00 0.00 O ATOM 1059 CB ALA A 233 8.396 12.698 5.139 1.00 0.00 C ATOM 0 H ALA A 233 10.601 14.879 5.534 1.00 0.00 H new ATOM 0 HA ALA A 233 8.990 13.847 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 233 7.360 12.616 4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 233 8.950 11.817 4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 233 8.428 12.767 6.226 1.00 0.00 H new ATOM 1065 N SER A 234 8.544 16.275 4.183 1.00 0.00 N ATOM 1066 CA SER A 234 7.977 17.590 4.455 1.00 0.00 C ATOM 1067 C SER A 234 8.389 18.054 5.846 1.00 0.00 C ATOM 1068 O SER A 234 7.514 18.192 6.721 1.00 0.00 O ATOM 1069 CB SER A 234 6.453 17.565 4.325 1.00 0.00 C ATOM 1070 OG SER A 234 6.054 17.045 3.066 1.00 0.00 O ATOM 1071 OXT SER A 234 9.601 18.238 6.064 1.00 0.00 O ATOM 0 H SER A 234 9.188 16.260 3.392 1.00 0.00 H new ATOM 0 HA SER A 234 8.364 18.295 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 234 6.027 16.958 5.124 1.00 0.00 H new ATOM 0 HB3 SER A 234 6.058 18.574 4.446 1.00 0.00 H new ATOM 0 HG SER A 234 5.076 17.039 3.010 1.00 0.00 H new TER 1077 SER A 234