USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=25 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 137:sc= 1.47 USER MOD Set 1.2: A 209 MET CE :methyl 169:sc= -14! (180deg=-15.1!) USER MOD Set 2.1: A 172 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 230 GLN : amide:sc= -2.65! C(o=-2.7!,f=-7.3!) USER MOD Single : A 171 GLN : amide:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.3!) USER MOD Single : A 175 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.2) USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 177 ASN : amide:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 180 HIS :FLIP no HE2:sc= 0.264 F(o=-0.96,f=0.26) USER MOD Single : A 184 ASN : amide:sc= -1.75! C(o=-1.7!,f=-6!) USER MOD Single : A 186 THR OG1 : rot -84:sc= -2.29! USER MOD Single : A 188 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.047) USER MOD Single : A 189 GLN :FLIP amide:sc= -0.266 F(o=-2.2!,f=-0.27) USER MOD Single : A 190 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-4.7!) USER MOD Single : A 191 THR OG1 : rot -10:sc= 0.868 USER MOD Single : A 193 THR OG1 : rot 71:sc= 1.15 USER MOD Single : A 195 THR OG1 : rot 62:sc= 1.08 USER MOD Single : A 196 THR OG1 : rot -75:sc= 0.661 USER MOD Single : A 197 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.053) USER MOD Single : A 200 ASN :FLIP amide:sc= -0.673 F(o=-2.4!,f=-0.67) USER MOD Single : A 202 THR OG1 : rot -76:sc= -0.453! USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 LYS NZ :NH3+ 172:sc= 0.899 (180deg=0.854) USER MOD Single : A 215 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.12) USER MOD Single : A 216 MET CE :methyl -169:sc= -2.46 (180deg=-3.12) USER MOD Single : A 219 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 220 GLN :FLIP amide:sc= -0.182 F(o=-0.98,f=-0.18) USER MOD Single : A 221 TYR OH : rot 180:sc= 0 USER MOD Single : A 222 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.8) USER MOD Single : A 225 SER OG : rot -76:sc= 0.478 USER MOD Single : A 226 GLN : amide:sc= -0.946 X(o=-0.95,f=-0.72) 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 72:sc= 0.0323 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 167 20.529 3.046 4.817 1.00 0.00 N ATOM 2 CA ARG A 167 19.113 2.666 5.027 1.00 0.00 C ATOM 3 C ARG A 167 18.407 2.527 3.683 1.00 0.00 C ATOM 4 O ARG A 167 18.240 3.513 2.965 1.00 0.00 O ATOM 5 CB ARG A 167 18.408 3.718 5.887 1.00 0.00 C ATOM 6 CG ARG A 167 16.971 3.363 6.242 1.00 0.00 C ATOM 7 CD ARG A 167 16.447 4.240 7.369 1.00 0.00 C ATOM 8 NE ARG A 167 17.173 4.007 8.618 1.00 0.00 N ATOM 9 CZ ARG A 167 17.328 4.918 9.580 1.00 0.00 C ATOM 10 NH1 ARG A 167 16.789 6.126 9.458 1.00 0.00 N ATOM 11 NH2 ARG A 167 18.006 4.612 10.678 1.00 0.00 N ATOM 0 HA ARG A 167 19.077 1.708 5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 167 18.975 3.860 6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 167 18.416 4.671 5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 167 16.337 3.480 5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 167 16.915 2.315 6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 167 16.537 5.289 7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 167 15.386 4.041 7.522 1.00 0.00 H new ATOM 0 HE ARG A 167 17.588 3.087 8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 167 16.252 6.363 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 167 16.912 6.817 10.198 1.00 0.00 H new ATOM 0 HH21 ARG A 167 18.408 3.681 10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 167 18.125 5.308 11.414 1.00 0.00 H new ATOM 25 N PRO A 168 17.996 1.300 3.325 1.00 0.00 N ATOM 26 CA PRO A 168 17.340 1.013 2.042 1.00 0.00 C ATOM 27 C PRO A 168 15.973 1.677 1.919 1.00 0.00 C ATOM 28 O PRO A 168 14.953 1.123 2.336 1.00 0.00 O ATOM 29 CB PRO A 168 17.195 -0.517 2.034 1.00 0.00 C ATOM 30 CG PRO A 168 18.108 -1.002 3.107 1.00 0.00 C ATOM 31 CD PRO A 168 18.142 0.085 4.137 1.00 0.00 C ATOM 0 HA PRO A 168 17.919 1.401 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 168 16.165 -0.816 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 168 17.470 -0.933 1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 168 17.745 -1.936 3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 168 19.105 -1.198 2.713 1.00 0.00 H new ATOM 0 HD2 PRO A 168 17.334 -0.018 4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 168 19.076 0.082 4.698 1.00 0.00 H new ATOM 39 N VAL A 169 15.974 2.876 1.367 1.00 0.00 N ATOM 40 CA VAL A 169 14.753 3.633 1.144 1.00 0.00 C ATOM 41 C VAL A 169 14.569 3.923 -0.333 1.00 0.00 C ATOM 42 O VAL A 169 14.013 4.957 -0.710 1.00 0.00 O ATOM 43 CB VAL A 169 14.723 4.957 1.923 1.00 0.00 C ATOM 44 CG1 VAL A 169 14.719 4.724 3.424 1.00 0.00 C ATOM 45 CG2 VAL A 169 15.897 5.822 1.528 1.00 0.00 C ATOM 0 H VAL A 169 16.821 3.354 1.060 1.00 0.00 H new ATOM 0 HA VAL A 169 13.936 3.011 1.510 1.00 0.00 H new ATOM 0 HB VAL A 169 13.798 5.473 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 169 14.698 5.683 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 169 13.839 4.143 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 169 15.618 4.178 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 169 15.864 6.757 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 169 16.826 5.298 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 169 15.849 6.036 0.460 1.00 0.00 H new ATOM 55 N ASP A 170 15.073 3.022 -1.166 1.00 0.00 N ATOM 56 CA ASP A 170 14.995 3.166 -2.620 1.00 0.00 C ATOM 57 C ASP A 170 13.544 3.216 -3.125 1.00 0.00 C ATOM 58 O ASP A 170 13.306 3.209 -4.333 1.00 0.00 O ATOM 59 CB ASP A 170 15.745 2.018 -3.304 1.00 0.00 C ATOM 60 CG ASP A 170 15.206 0.651 -2.921 1.00 0.00 C ATOM 61 OD1 ASP A 170 15.683 0.076 -1.918 1.00 0.00 O ATOM 62 OD2 ASP A 170 14.309 0.141 -3.625 1.00 0.00 O ATOM 0 H ASP A 170 15.546 2.173 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 170 15.463 4.117 -2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 170 15.678 2.140 -4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 170 16.802 2.073 -3.042 1.00 0.00 H new ATOM 67 N GLN A 171 12.595 3.297 -2.196 1.00 0.00 N ATOM 68 CA GLN A 171 11.184 3.461 -2.506 1.00 0.00 C ATOM 69 C GLN A 171 10.965 4.665 -3.436 1.00 0.00 C ATOM 70 O GLN A 171 10.180 4.593 -4.375 1.00 0.00 O ATOM 71 CB GLN A 171 10.389 3.611 -1.178 1.00 0.00 C ATOM 72 CG GLN A 171 9.419 4.780 -1.129 1.00 0.00 C ATOM 73 CD GLN A 171 10.109 6.096 -0.821 1.00 0.00 C ATOM 74 OE1 GLN A 171 11.112 6.139 -0.116 1.00 0.00 O ATOM 75 NE2 GLN A 171 9.597 7.175 -1.378 1.00 0.00 N ATOM 0 H GLN A 171 12.790 3.250 -1.196 1.00 0.00 H new ATOM 0 HA GLN A 171 10.821 2.581 -3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 171 9.832 2.691 -1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 171 11.100 3.716 -0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 171 8.903 4.860 -2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 171 8.659 4.586 -0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 171 8.762 7.102 -1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 171 10.036 8.083 -1.229 1.00 0.00 H new ATOM 84 N TYR A 172 11.691 5.757 -3.190 1.00 0.00 N ATOM 85 CA TYR A 172 11.506 6.981 -3.969 1.00 0.00 C ATOM 86 C TYR A 172 12.262 6.888 -5.280 1.00 0.00 C ATOM 87 O TYR A 172 11.854 7.458 -6.292 1.00 0.00 O ATOM 88 CB TYR A 172 11.972 8.214 -3.175 1.00 0.00 C ATOM 89 CG TYR A 172 13.478 8.371 -3.083 1.00 0.00 C ATOM 90 CD1 TYR A 172 14.232 7.592 -2.217 1.00 0.00 C ATOM 91 CD2 TYR A 172 14.145 9.302 -3.873 1.00 0.00 C ATOM 92 CE1 TYR A 172 15.605 7.732 -2.140 1.00 0.00 C ATOM 93 CE2 TYR A 172 15.516 9.449 -3.800 1.00 0.00 C ATOM 94 CZ TYR A 172 16.239 8.662 -2.934 1.00 0.00 C ATOM 95 OH TYR A 172 17.605 8.805 -2.862 1.00 0.00 O ATOM 0 H TYR A 172 12.406 5.819 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 172 10.442 7.092 -4.180 1.00 0.00 H new ATOM 0 HB2 TYR A 172 11.554 9.108 -3.638 1.00 0.00 H new ATOM 0 HB3 TYR A 172 11.563 8.157 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 172 13.737 6.863 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 172 13.581 9.920 -4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 172 16.177 7.116 -1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 172 16.018 10.178 -4.419 1.00 0.00 H new ATOM 0 HH TYR A 172 17.894 9.502 -3.487 1.00 0.00 H new ATOM 105 N SER A 173 13.371 6.167 -5.235 1.00 0.00 N ATOM 106 CA SER A 173 14.219 5.954 -6.396 1.00 0.00 C ATOM 107 C SER A 173 13.413 5.392 -7.572 1.00 0.00 C ATOM 108 O SER A 173 13.528 5.874 -8.703 1.00 0.00 O ATOM 109 CB SER A 173 15.365 5.008 -6.015 1.00 0.00 C ATOM 110 OG SER A 173 16.252 4.795 -7.097 1.00 0.00 O ATOM 0 H SER A 173 13.709 5.711 -4.388 1.00 0.00 H new ATOM 0 HA SER A 173 14.633 6.910 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 173 15.915 5.424 -5.171 1.00 0.00 H new ATOM 0 HB3 SER A 173 14.954 4.053 -5.688 1.00 0.00 H new ATOM 0 HG SER A 173 16.970 4.189 -6.817 1.00 0.00 H new ATOM 116 N ASN A 174 12.587 4.388 -7.305 1.00 0.00 N ATOM 117 CA ASN A 174 11.794 3.749 -8.351 1.00 0.00 C ATOM 118 C ASN A 174 10.308 4.053 -8.175 1.00 0.00 C ATOM 119 O ASN A 174 9.471 3.298 -8.650 1.00 0.00 O ATOM 120 CB ASN A 174 12.044 2.231 -8.374 1.00 0.00 C ATOM 121 CG ASN A 174 11.410 1.477 -7.212 1.00 0.00 C ATOM 122 OD1 ASN A 174 10.308 0.939 -7.329 1.00 0.00 O ATOM 123 ND2 ASN A 174 12.101 1.426 -6.086 1.00 0.00 N ATOM 0 H ASN A 174 12.448 3.998 -6.373 1.00 0.00 H new ATOM 0 HA ASN A 174 12.108 4.160 -9.310 1.00 0.00 H new ATOM 0 HB2 ASN A 174 11.659 1.825 -9.309 1.00 0.00 H new ATOM 0 HB3 ASN A 174 13.119 2.051 -8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 174 11.724 0.929 -5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 174 13.011 1.883 -6.025 1.00 0.00 H new ATOM 130 N GLN A 175 9.999 5.177 -7.521 1.00 0.00 N ATOM 131 CA GLN A 175 8.625 5.509 -7.093 1.00 0.00 C ATOM 132 C GLN A 175 7.553 5.234 -8.159 1.00 0.00 C ATOM 133 O GLN A 175 6.479 4.754 -7.823 1.00 0.00 O ATOM 134 CB GLN A 175 8.527 6.969 -6.644 1.00 0.00 C ATOM 135 CG GLN A 175 7.170 7.336 -6.039 1.00 0.00 C ATOM 136 CD GLN A 175 6.824 6.499 -4.816 1.00 0.00 C ATOM 137 OE1 GLN A 175 7.710 6.042 -4.098 1.00 0.00 O ATOM 138 NE2 GLN A 175 5.532 6.319 -4.542 1.00 0.00 N ATOM 0 H GLN A 175 10.689 5.885 -7.271 1.00 0.00 H new ATOM 0 HA GLN A 175 8.420 4.842 -6.256 1.00 0.00 H new ATOM 0 HB2 GLN A 175 9.308 7.167 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 175 8.721 7.617 -7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 175 7.174 8.390 -5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 175 6.394 7.207 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 175 4.820 6.712 -5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 175 5.255 5.789 -3.716 1.00 0.00 H new ATOM 147 N ASN A 176 7.817 5.533 -9.426 1.00 0.00 N ATOM 148 CA ASN A 176 6.808 5.300 -10.465 1.00 0.00 C ATOM 149 C ASN A 176 6.573 3.805 -10.654 1.00 0.00 C ATOM 150 O ASN A 176 5.432 3.332 -10.601 1.00 0.00 O ATOM 151 CB ASN A 176 7.205 5.944 -11.798 1.00 0.00 C ATOM 152 CG ASN A 176 7.075 7.456 -11.775 1.00 0.00 C ATOM 153 OD1 ASN A 176 8.040 8.174 -11.501 1.00 0.00 O ATOM 154 ND2 ASN A 176 5.879 7.953 -12.055 1.00 0.00 N ATOM 0 H ASN A 176 8.697 5.928 -9.758 1.00 0.00 H new ATOM 0 HA ASN A 176 5.882 5.769 -10.132 1.00 0.00 H new ATOM 0 HB2 ASN A 176 8.234 5.675 -12.036 1.00 0.00 H new ATOM 0 HB3 ASN A 176 6.578 5.541 -12.593 1.00 0.00 H new ATOM 0 HD21 ASN A 176 5.732 8.962 -12.049 1.00 0.00 H new ATOM 0 HD22 ASN A 176 5.105 7.326 -12.277 1.00 0.00 H new ATOM 161 N ASN A 177 7.657 3.063 -10.841 1.00 0.00 N ATOM 162 CA ASN A 177 7.580 1.610 -10.926 1.00 0.00 C ATOM 163 C ASN A 177 7.036 1.056 -9.619 1.00 0.00 C ATOM 164 O ASN A 177 6.257 0.110 -9.601 1.00 0.00 O ATOM 165 CB ASN A 177 8.966 1.016 -11.211 1.00 0.00 C ATOM 166 CG ASN A 177 8.951 -0.500 -11.284 1.00 0.00 C ATOM 167 OD1 ASN A 177 8.700 -1.075 -12.341 1.00 0.00 O ATOM 168 ND2 ASN A 177 9.247 -1.159 -10.170 1.00 0.00 N ATOM 0 H ASN A 177 8.599 3.443 -10.937 1.00 0.00 H new ATOM 0 HA ASN A 177 6.913 1.336 -11.743 1.00 0.00 H new ATOM 0 HB2 ASN A 177 9.342 1.417 -12.152 1.00 0.00 H new ATOM 0 HB3 ASN A 177 9.659 1.331 -10.431 1.00 0.00 H new ATOM 0 HD21 ASN A 177 9.272 -2.179 -10.172 1.00 0.00 H new ATOM 0 HD22 ASN A 177 9.450 -0.646 -9.312 1.00 0.00 H new ATOM 175 N PHE A 178 7.457 1.683 -8.532 1.00 0.00 N ATOM 176 CA PHE A 178 7.023 1.334 -7.192 1.00 0.00 C ATOM 177 C PHE A 178 5.510 1.411 -7.073 1.00 0.00 C ATOM 178 O PHE A 178 4.886 0.504 -6.548 1.00 0.00 O ATOM 179 CB PHE A 178 7.695 2.272 -6.182 1.00 0.00 C ATOM 180 CG PHE A 178 7.234 2.110 -4.765 1.00 0.00 C ATOM 181 CD1 PHE A 178 6.151 2.830 -4.297 1.00 0.00 C ATOM 182 CD2 PHE A 178 7.888 1.249 -3.897 1.00 0.00 C ATOM 183 CE1 PHE A 178 5.726 2.698 -2.997 1.00 0.00 C ATOM 184 CE2 PHE A 178 7.466 1.112 -2.588 1.00 0.00 C ATOM 185 CZ PHE A 178 6.380 1.839 -2.139 1.00 0.00 C ATOM 0 H PHE A 178 8.119 2.459 -8.558 1.00 0.00 H new ATOM 0 HA PHE A 178 7.317 0.306 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 178 8.772 2.110 -6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 178 7.517 3.302 -6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 178 5.632 3.505 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 178 8.736 0.679 -4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 178 4.878 3.268 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 178 7.983 0.440 -1.919 1.00 0.00 H new ATOM 0 HZ PHE A 178 6.044 1.735 -1.118 1.00 0.00 H new ATOM 195 N VAL A 179 4.924 2.488 -7.571 1.00 0.00 N ATOM 196 CA VAL A 179 3.482 2.660 -7.501 1.00 0.00 C ATOM 197 C VAL A 179 2.765 1.514 -8.204 1.00 0.00 C ATOM 198 O VAL A 179 1.880 0.891 -7.635 1.00 0.00 O ATOM 199 CB VAL A 179 3.025 4.015 -8.101 1.00 0.00 C ATOM 200 CG1 VAL A 179 1.506 4.104 -8.154 1.00 0.00 C ATOM 201 CG2 VAL A 179 3.582 5.172 -7.286 1.00 0.00 C ATOM 0 H VAL A 179 5.422 3.253 -8.026 1.00 0.00 H new ATOM 0 HA VAL A 179 3.215 2.656 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 179 3.411 4.078 -9.118 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.212 5.064 -8.579 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.116 3.298 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.101 4.014 -7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 179 3.252 6.115 -7.721 1.00 0.00 H new ATOM 0 HG22 VAL A 179 3.223 5.100 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 179 4.671 5.131 -7.293 1.00 0.00 H new ATOM 211 N HIS A 180 3.171 1.198 -9.417 1.00 0.00 N ATOM 212 CA HIS A 180 2.490 0.145 -10.159 1.00 0.00 C ATOM 213 C HIS A 180 2.783 -1.234 -9.566 1.00 0.00 C ATOM 214 O HIS A 180 1.877 -2.042 -9.378 1.00 0.00 O ATOM 215 CB HIS A 180 2.883 0.174 -11.635 1.00 0.00 C ATOM 216 CG HIS A 180 2.466 1.425 -12.353 1.00 0.00 C ATOM 217 ND1 HIS A 180 3.127 2.600 -12.493 1.00 0.00 N flip ATOM 218 CD2 HIS A 180 1.255 1.512 -13.001 1.00 0.00 C flip ATOM 219 CE1 HIS A 180 2.319 3.424 -13.235 1.00 0.00 C flip ATOM 220 NE2 HIS A 180 1.206 2.730 -13.515 1.00 0.00 N flip ATOM 0 H HIS A 180 3.950 1.640 -9.905 1.00 0.00 H new ATOM 0 HA HIS A 180 1.419 0.332 -10.078 1.00 0.00 H new ATOM 0 HB2 HIS A 180 3.965 0.065 -11.715 1.00 0.00 H new ATOM 0 HB3 HIS A 180 2.438 -0.686 -12.136 1.00 0.00 H new ATOM 0 HD1 HIS A 180 4.048 2.828 -12.119 1.00 0.00 H new ATOM 0 HD2 HIS A 180 0.500 0.744 -13.075 1.00 0.00 H new ATOM 0 HE1 HIS A 180 2.537 4.438 -13.536 1.00 0.00 H new ATOM 227 N ASP A 181 4.048 -1.479 -9.248 1.00 0.00 N ATOM 228 CA ASP A 181 4.499 -2.793 -8.790 1.00 0.00 C ATOM 229 C ASP A 181 4.089 -3.069 -7.345 1.00 0.00 C ATOM 230 O ASP A 181 3.500 -4.106 -7.046 1.00 0.00 O ATOM 231 CB ASP A 181 6.020 -2.895 -8.922 1.00 0.00 C ATOM 232 CG ASP A 181 6.568 -4.229 -8.457 1.00 0.00 C ATOM 233 OD1 ASP A 181 6.684 -5.150 -9.289 1.00 0.00 O ATOM 234 OD2 ASP A 181 6.924 -4.351 -7.265 1.00 0.00 O ATOM 0 H ASP A 181 4.788 -0.779 -9.299 1.00 0.00 H new ATOM 0 HA ASP A 181 4.019 -3.542 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 181 6.300 -2.737 -9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 181 6.484 -2.096 -8.343 1.00 0.00 H new ATOM 239 N CYS A 182 4.385 -2.134 -6.454 1.00 0.00 N ATOM 240 CA CYS A 182 4.146 -2.339 -5.032 1.00 0.00 C ATOM 241 C CYS A 182 2.659 -2.274 -4.721 1.00 0.00 C ATOM 242 O CYS A 182 2.166 -3.054 -3.910 1.00 0.00 O ATOM 243 CB CYS A 182 4.924 -1.319 -4.181 1.00 0.00 C ATOM 244 SG CYS A 182 3.905 0.029 -3.514 1.00 0.00 S ATOM 0 H CYS A 182 4.790 -1.228 -6.689 1.00 0.00 H new ATOM 0 HA CYS A 182 4.509 -3.334 -4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 182 5.401 -1.843 -3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 182 5.721 -0.890 -4.788 1.00 0.00 H new ATOM 249 N VAL A 183 1.932 -1.368 -5.372 1.00 0.00 N ATOM 250 CA VAL A 183 0.493 -1.302 -5.177 1.00 0.00 C ATOM 251 C VAL A 183 -0.153 -2.542 -5.761 1.00 0.00 C ATOM 252 O VAL A 183 -1.166 -3.023 -5.267 1.00 0.00 O ATOM 253 CB VAL A 183 -0.123 -0.029 -5.789 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.641 -0.038 -5.679 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.458 1.193 -5.103 1.00 0.00 C ATOM 0 H VAL A 183 2.310 -0.683 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 183 0.301 -1.258 -4.105 1.00 0.00 H new ATOM 0 HB VAL A 183 0.124 0.002 -6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -2.043 0.874 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -2.039 -0.903 -6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -1.929 -0.091 -4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 183 0.023 2.094 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.230 1.155 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.539 1.209 -5.243 1.00 0.00 H new ATOM 265 N ASN A 184 0.460 -3.082 -6.798 1.00 0.00 N ATOM 266 CA ASN A 184 -0.014 -4.341 -7.354 1.00 0.00 C ATOM 267 C ASN A 184 0.079 -5.444 -6.307 1.00 0.00 C ATOM 268 O ASN A 184 -0.927 -6.055 -5.970 1.00 0.00 O ATOM 269 CB ASN A 184 0.769 -4.744 -8.602 1.00 0.00 C ATOM 270 CG ASN A 184 -0.143 -5.057 -9.770 1.00 0.00 C ATOM 271 OD1 ASN A 184 -0.597 -6.187 -9.940 1.00 0.00 O ATOM 272 ND2 ASN A 184 -0.415 -4.053 -10.587 1.00 0.00 N ATOM 0 H ASN A 184 1.272 -2.680 -7.267 1.00 0.00 H new ATOM 0 HA ASN A 184 -1.055 -4.199 -7.646 1.00 0.00 H new ATOM 0 HB2 ASN A 184 1.449 -3.938 -8.879 1.00 0.00 H new ATOM 0 HB3 ASN A 184 1.383 -5.616 -8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -1.022 -4.202 -11.393 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -0.018 -3.130 -10.411 1.00 0.00 H new ATOM 279 N ILE A 185 1.274 -5.665 -5.757 1.00 0.00 N ATOM 280 CA ILE A 185 1.469 -6.726 -4.769 1.00 0.00 C ATOM 281 C ILE A 185 0.646 -6.486 -3.509 1.00 0.00 C ATOM 282 O ILE A 185 0.128 -7.430 -2.911 1.00 0.00 O ATOM 283 CB ILE A 185 2.964 -6.944 -4.408 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.630 -5.676 -3.856 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.726 -7.449 -5.620 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.589 -5.564 -2.344 1.00 0.00 C ATOM 0 H ILE A 185 2.114 -5.129 -5.976 1.00 0.00 H new ATOM 0 HA ILE A 185 1.113 -7.641 -5.242 1.00 0.00 H new ATOM 0 HB ILE A 185 2.995 -7.692 -3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.669 -5.652 -4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 185 3.140 -4.803 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.773 -7.598 -5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 185 3.297 -8.395 -5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.656 -6.717 -6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 185 4.080 -4.641 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 185 2.552 -5.554 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 185 4.106 -6.416 -1.902 1.00 0.00 H new ATOM 298 N THR A 186 0.518 -5.231 -3.104 1.00 0.00 N ATOM 299 CA THR A 186 -0.374 -4.900 -2.000 1.00 0.00 C ATOM 300 C THR A 186 -1.826 -5.216 -2.344 1.00 0.00 C ATOM 301 O THR A 186 -2.604 -5.572 -1.460 1.00 0.00 O ATOM 302 CB THR A 186 -0.223 -3.441 -1.506 1.00 0.00 C ATOM 303 OG1 THR A 186 0.025 -2.564 -2.599 1.00 0.00 O ATOM 304 CG2 THR A 186 0.905 -3.322 -0.489 1.00 0.00 C ATOM 0 H THR A 186 1.010 -4.437 -3.514 1.00 0.00 H new ATOM 0 HA THR A 186 -0.071 -5.537 -1.169 1.00 0.00 H new ATOM 0 HB THR A 186 -1.159 -3.157 -1.025 1.00 0.00 H new ATOM 0 HG1 THR A 186 0.982 -2.564 -2.808 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.989 -2.287 -0.159 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.691 -3.960 0.368 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.843 -3.634 -0.948 1.00 0.00 H new ATOM 312 N VAL A 187 -2.195 -5.100 -3.618 1.00 0.00 N ATOM 313 CA VAL A 187 -3.520 -5.522 -4.041 1.00 0.00 C ATOM 314 C VAL A 187 -3.684 -7.020 -3.821 1.00 0.00 C ATOM 315 O VAL A 187 -4.676 -7.460 -3.242 1.00 0.00 O ATOM 316 CB VAL A 187 -3.834 -5.178 -5.521 1.00 0.00 C ATOM 317 CG1 VAL A 187 -5.044 -5.960 -6.014 1.00 0.00 C ATOM 318 CG2 VAL A 187 -4.087 -3.688 -5.693 1.00 0.00 C ATOM 0 H VAL A 187 -1.605 -4.724 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.230 -4.965 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 187 -2.964 -5.458 -6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.245 -5.702 -7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.843 -7.028 -5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.912 -5.710 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.305 -3.474 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -4.936 -3.390 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -3.202 -3.131 -5.385 1.00 0.00 H new ATOM 328 N LYS A 188 -2.693 -7.796 -4.259 1.00 0.00 N ATOM 329 CA LYS A 188 -2.703 -9.230 -4.044 1.00 0.00 C ATOM 330 C LYS A 188 -2.859 -9.517 -2.552 1.00 0.00 C ATOM 331 O LYS A 188 -3.702 -10.312 -2.146 1.00 0.00 O ATOM 332 CB LYS A 188 -1.416 -9.872 -4.574 1.00 0.00 C ATOM 333 CG LYS A 188 -1.369 -10.041 -6.090 1.00 0.00 C ATOM 334 CD LYS A 188 -1.123 -8.721 -6.794 1.00 0.00 C ATOM 335 CE LYS A 188 -1.074 -8.869 -8.305 1.00 0.00 C ATOM 336 NZ LYS A 188 -2.390 -9.258 -8.879 1.00 0.00 N ATOM 0 H LYS A 188 -1.877 -7.450 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.543 -9.661 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -0.567 -9.263 -4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.295 -10.850 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -0.581 -10.746 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.309 -10.469 -6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -1.911 -8.017 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 188 -0.183 -8.295 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 188 -0.751 -7.928 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -0.329 -9.619 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -2.333 -9.248 -9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -2.641 -10.214 -8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -3.118 -8.585 -8.566 1.00 0.00 H new ATOM 350 N GLN A 189 -2.069 -8.813 -1.750 1.00 0.00 N ATOM 351 CA GLN A 189 -2.111 -8.922 -0.298 1.00 0.00 C ATOM 352 C GLN A 189 -3.518 -8.690 0.246 1.00 0.00 C ATOM 353 O GLN A 189 -4.036 -9.491 1.027 1.00 0.00 O ATOM 354 CB GLN A 189 -1.155 -7.899 0.309 1.00 0.00 C ATOM 355 CG GLN A 189 -1.068 -7.952 1.821 1.00 0.00 C ATOM 356 CD GLN A 189 0.190 -7.291 2.327 1.00 0.00 C ATOM 357 OE1 GLN A 189 1.250 -7.409 1.546 1.00 0.00 O flip ATOM 358 NE2 GLN A 189 0.212 -6.699 3.406 1.00 0.00 N flip ATOM 0 H GLN A 189 -1.377 -8.146 -2.092 1.00 0.00 H new ATOM 0 HA GLN A 189 -1.810 -9.933 -0.025 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -0.160 -8.057 -0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -1.471 -6.900 0.009 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -1.938 -7.459 2.254 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -1.093 -8.990 2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 189 -0.635 -6.637 3.971 1.00 0.00 H new ATOM 0 HE22 GLN A 189 1.077 -6.271 3.735 1.00 0.00 H new ATOM 367 N HIS A 190 -4.135 -7.595 -0.172 1.00 0.00 N ATOM 368 CA HIS A 190 -5.441 -7.222 0.341 1.00 0.00 C ATOM 369 C HIS A 190 -6.504 -8.194 -0.149 1.00 0.00 C ATOM 370 O HIS A 190 -7.384 -8.592 0.611 1.00 0.00 O ATOM 371 CB HIS A 190 -5.795 -5.796 -0.076 1.00 0.00 C ATOM 372 CG HIS A 190 -6.609 -5.057 0.944 1.00 0.00 C ATOM 373 ND1 HIS A 190 -7.815 -4.487 0.627 1.00 0.00 N ATOM 374 CD2 HIS A 190 -6.327 -4.800 2.243 1.00 0.00 C ATOM 375 CE1 HIS A 190 -8.240 -3.896 1.728 1.00 0.00 C ATOM 376 NE2 HIS A 190 -7.371 -4.061 2.736 1.00 0.00 N ATOM 0 H HIS A 190 -3.752 -6.951 -0.864 1.00 0.00 H new ATOM 0 HA HIS A 190 -5.406 -7.265 1.430 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -4.875 -5.243 -0.265 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -6.347 -5.827 -1.016 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -5.449 -5.116 2.786 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -9.168 -3.350 1.807 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -7.468 -3.705 3.687 1.00 0.00 H new ATOM 383 N THR A 191 -6.411 -8.599 -1.412 1.00 0.00 N ATOM 384 CA THR A 191 -7.367 -9.545 -1.962 1.00 0.00 C ATOM 385 C THR A 191 -7.235 -10.906 -1.277 1.00 0.00 C ATOM 386 O THR A 191 -8.219 -11.619 -1.124 1.00 0.00 O ATOM 387 CB THR A 191 -7.231 -9.708 -3.492 1.00 0.00 C ATOM 388 OG1 THR A 191 -5.917 -10.161 -3.844 1.00 0.00 O ATOM 389 CG2 THR A 191 -7.521 -8.397 -4.207 1.00 0.00 C ATOM 0 H THR A 191 -5.691 -8.289 -2.065 1.00 0.00 H new ATOM 0 HA THR A 191 -8.358 -9.135 -1.767 1.00 0.00 H new ATOM 0 HB THR A 191 -7.961 -10.454 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.336 -10.125 -3.055 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.418 -8.539 -5.283 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.537 -8.075 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 191 -6.816 -7.636 -3.872 1.00 0.00 H new ATOM 397 N VAL A 192 -6.018 -11.252 -0.844 1.00 0.00 N ATOM 398 CA VAL A 192 -5.791 -12.482 -0.082 1.00 0.00 C ATOM 399 C VAL A 192 -6.342 -12.342 1.334 1.00 0.00 C ATOM 400 O VAL A 192 -6.980 -13.260 1.863 1.00 0.00 O ATOM 401 CB VAL A 192 -4.292 -12.863 -0.025 1.00 0.00 C ATOM 402 CG1 VAL A 192 -4.053 -13.968 1.000 1.00 0.00 C ATOM 403 CG2 VAL A 192 -3.812 -13.313 -1.394 1.00 0.00 C ATOM 0 H VAL A 192 -5.177 -10.698 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 192 -6.319 -13.282 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 192 -3.727 -11.981 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -2.993 -14.220 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -4.366 -13.624 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -4.630 -14.851 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -2.756 -13.578 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -4.388 -14.181 -1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -3.947 -12.503 -2.111 1.00 0.00 H new ATOM 413 N THR A 193 -6.099 -11.189 1.940 1.00 0.00 N ATOM 414 CA THR A 193 -6.692 -10.862 3.229 1.00 0.00 C ATOM 415 C THR A 193 -8.208 -11.018 3.142 1.00 0.00 C ATOM 416 O THR A 193 -8.851 -11.608 4.009 1.00 0.00 O ATOM 417 CB THR A 193 -6.333 -9.418 3.641 1.00 0.00 C ATOM 418 OG1 THR A 193 -4.907 -9.254 3.636 1.00 0.00 O ATOM 419 CG2 THR A 193 -6.881 -9.083 5.019 1.00 0.00 C ATOM 0 H THR A 193 -5.493 -10.462 1.559 1.00 0.00 H new ATOM 0 HA THR A 193 -6.297 -11.542 3.984 1.00 0.00 H new ATOM 0 HB THR A 193 -6.787 -8.738 2.920 1.00 0.00 H new ATOM 0 HG1 THR A 193 -4.581 -9.256 2.712 1.00 0.00 H new ATOM 0 HG21 THR A 193 -6.611 -8.060 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 193 -7.967 -9.181 5.013 1.00 0.00 H new ATOM 0 HG23 THR A 193 -6.459 -9.768 5.755 1.00 0.00 H new ATOM 427 N THR A 194 -8.756 -10.517 2.053 1.00 0.00 N ATOM 428 CA THR A 194 -10.165 -10.645 1.761 1.00 0.00 C ATOM 429 C THR A 194 -10.562 -12.102 1.477 1.00 0.00 C ATOM 430 O THR A 194 -11.641 -12.547 1.866 1.00 0.00 O ATOM 431 CB THR A 194 -10.527 -9.751 0.570 1.00 0.00 C ATOM 432 OG1 THR A 194 -10.464 -8.375 0.963 1.00 0.00 O ATOM 433 CG2 THR A 194 -11.905 -10.074 0.050 1.00 0.00 C ATOM 0 H THR A 194 -8.231 -10.007 1.343 1.00 0.00 H new ATOM 0 HA THR A 194 -10.722 -10.325 2.641 1.00 0.00 H new ATOM 0 HB THR A 194 -9.810 -9.936 -0.230 1.00 0.00 H new ATOM 0 HG1 THR A 194 -10.019 -7.855 0.262 1.00 0.00 H new ATOM 0 HG21 THR A 194 -12.136 -9.425 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 194 -11.938 -11.115 -0.272 1.00 0.00 H new ATOM 0 HG23 THR A 194 -12.639 -9.916 0.841 1.00 0.00 H new ATOM 441 N THR A 195 -9.695 -12.843 0.803 1.00 0.00 N ATOM 442 CA THR A 195 -9.935 -14.261 0.560 1.00 0.00 C ATOM 443 C THR A 195 -10.071 -15.002 1.887 1.00 0.00 C ATOM 444 O THR A 195 -10.855 -15.939 2.019 1.00 0.00 O ATOM 445 CB THR A 195 -8.791 -14.904 -0.258 1.00 0.00 C ATOM 446 OG1 THR A 195 -8.578 -14.180 -1.478 1.00 0.00 O ATOM 447 CG2 THR A 195 -9.106 -16.356 -0.586 1.00 0.00 C ATOM 0 H THR A 195 -8.821 -12.489 0.415 1.00 0.00 H new ATOM 0 HA THR A 195 -10.858 -14.341 -0.014 1.00 0.00 H new ATOM 0 HB THR A 195 -7.887 -14.866 0.350 1.00 0.00 H new ATOM 0 HG1 THR A 195 -8.311 -13.260 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 195 -8.286 -16.785 -1.162 1.00 0.00 H new ATOM 0 HG22 THR A 195 -9.233 -16.919 0.339 1.00 0.00 H new ATOM 0 HG23 THR A 195 -10.025 -16.406 -1.171 1.00 0.00 H new ATOM 455 N THR A 196 -9.321 -14.554 2.881 1.00 0.00 N ATOM 456 CA THR A 196 -9.298 -15.228 4.162 1.00 0.00 C ATOM 457 C THR A 196 -10.259 -14.589 5.176 1.00 0.00 C ATOM 458 O THR A 196 -10.493 -15.145 6.248 1.00 0.00 O ATOM 459 CB THR A 196 -7.864 -15.269 4.729 1.00 0.00 C ATOM 460 OG1 THR A 196 -7.276 -13.963 4.664 1.00 0.00 O ATOM 461 CG2 THR A 196 -6.997 -16.241 3.944 1.00 0.00 C ATOM 0 H THR A 196 -8.723 -13.729 2.823 1.00 0.00 H new ATOM 0 HA THR A 196 -9.642 -16.248 3.992 1.00 0.00 H new ATOM 0 HB THR A 196 -7.920 -15.602 5.765 1.00 0.00 H new ATOM 0 HG1 THR A 196 -7.031 -13.760 3.737 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.991 -16.252 4.363 1.00 0.00 H new ATOM 0 HG22 THR A 196 -7.426 -17.241 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 196 -6.952 -15.928 2.901 1.00 0.00 H new ATOM 469 N LYS A 197 -10.805 -13.417 4.842 1.00 0.00 N ATOM 470 CA LYS A 197 -11.867 -12.795 5.651 1.00 0.00 C ATOM 471 C LYS A 197 -13.165 -13.577 5.469 1.00 0.00 C ATOM 472 O LYS A 197 -14.143 -13.402 6.201 1.00 0.00 O ATOM 473 CB LYS A 197 -12.108 -11.340 5.206 1.00 0.00 C ATOM 474 CG LYS A 197 -13.112 -11.214 4.055 1.00 0.00 C ATOM 475 CD LYS A 197 -13.174 -9.809 3.474 1.00 0.00 C ATOM 476 CE LYS A 197 -14.234 -9.699 2.375 1.00 0.00 C ATOM 477 NZ LYS A 197 -15.615 -9.785 2.919 1.00 0.00 N ATOM 0 H LYS A 197 -10.533 -12.878 4.020 1.00 0.00 H new ATOM 0 HA LYS A 197 -11.555 -12.806 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -12.468 -10.762 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.159 -10.899 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -12.843 -11.916 3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -14.102 -11.499 4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -13.397 -9.096 4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -12.199 -9.539 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -14.111 -8.753 1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -14.082 -10.494 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -16.299 -9.571 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -15.787 -10.745 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -15.727 -9.099 3.692 1.00 0.00 H new ATOM 491 N GLY A 198 -13.132 -14.457 4.492 1.00 0.00 N ATOM 492 CA GLY A 198 -14.324 -15.031 3.938 1.00 0.00 C ATOM 493 C GLY A 198 -14.314 -14.761 2.460 1.00 0.00 C ATOM 494 O GLY A 198 -14.528 -13.622 2.033 1.00 0.00 O ATOM 0 H GLY A 198 -12.270 -14.792 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -14.358 -16.103 4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -15.210 -14.595 4.401 1.00 0.00 H new ATOM 498 N GLU A 199 -14.026 -15.789 1.683 1.00 0.00 N ATOM 499 CA GLU A 199 -13.671 -15.623 0.282 1.00 0.00 C ATOM 500 C GLU A 199 -14.889 -15.283 -0.586 1.00 0.00 C ATOM 501 O GLU A 199 -15.334 -16.065 -1.428 1.00 0.00 O ATOM 502 CB GLU A 199 -12.913 -16.865 -0.224 1.00 0.00 C ATOM 503 CG GLU A 199 -13.679 -18.180 -0.129 1.00 0.00 C ATOM 504 CD GLU A 199 -13.807 -18.686 1.295 1.00 0.00 C ATOM 505 OE1 GLU A 199 -12.856 -19.320 1.795 1.00 0.00 O ATOM 506 OE2 GLU A 199 -14.855 -18.439 1.928 1.00 0.00 O ATOM 0 H GLU A 199 -14.031 -16.758 2.001 1.00 0.00 H new ATOM 0 HA GLU A 199 -13.002 -14.767 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -12.634 -16.701 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -11.987 -16.961 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -14.674 -18.046 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -13.174 -18.934 -0.733 1.00 0.00 H new ATOM 513 N ASN A 200 -15.419 -14.094 -0.353 1.00 0.00 N ATOM 514 CA ASN A 200 -16.518 -13.549 -1.132 1.00 0.00 C ATOM 515 C ASN A 200 -15.986 -12.613 -2.203 1.00 0.00 C ATOM 516 O ASN A 200 -16.197 -12.862 -3.385 1.00 0.00 O ATOM 517 CB ASN A 200 -17.497 -12.818 -0.205 1.00 0.00 C ATOM 518 CG ASN A 200 -18.655 -12.173 -0.945 1.00 0.00 C ATOM 519 OD1 ASN A 200 -18.578 -10.871 -1.163 1.00 0.00 O flip ATOM 520 ND2 ASN A 200 -19.637 -12.835 -1.274 1.00 0.00 N flip ATOM 0 H ASN A 200 -15.095 -13.474 0.389 1.00 0.00 H new ATOM 0 HA ASN A 200 -17.049 -14.363 -1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -17.890 -13.524 0.527 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -16.957 -12.051 0.350 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -19.661 -13.838 -1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -20.428 -12.381 -1.731 1.00 0.00 H new ATOM 527 N PHE A 201 -15.247 -11.583 -1.762 1.00 0.00 N ATOM 528 CA PHE A 201 -14.710 -10.522 -2.625 1.00 0.00 C ATOM 529 C PHE A 201 -15.546 -10.254 -3.848 1.00 0.00 C ATOM 530 O PHE A 201 -15.429 -10.908 -4.883 1.00 0.00 O ATOM 531 CB PHE A 201 -13.256 -10.768 -3.034 1.00 0.00 C ATOM 532 CG PHE A 201 -12.904 -12.186 -3.414 1.00 0.00 C ATOM 533 CD1 PHE A 201 -12.455 -13.083 -2.456 1.00 0.00 C ATOM 534 CD2 PHE A 201 -13.001 -12.614 -4.730 1.00 0.00 C ATOM 535 CE1 PHE A 201 -12.114 -14.377 -2.802 1.00 0.00 C ATOM 536 CE2 PHE A 201 -12.662 -13.907 -5.080 1.00 0.00 C ATOM 537 CZ PHE A 201 -12.218 -14.789 -4.116 1.00 0.00 C ATOM 0 H PHE A 201 -15.002 -11.463 -0.779 1.00 0.00 H new ATOM 0 HA PHE A 201 -14.747 -9.629 -2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -13.022 -10.119 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -12.611 -10.464 -2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -12.371 -12.766 -1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -13.346 -11.928 -5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -11.767 -15.065 -2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -12.745 -14.227 -6.108 1.00 0.00 H new ATOM 0 HZ PHE A 201 -11.952 -15.800 -4.389 1.00 0.00 H new ATOM 547 N THR A 202 -16.359 -9.252 -3.730 1.00 0.00 N ATOM 548 CA THR A 202 -17.110 -8.795 -4.829 1.00 0.00 C ATOM 549 C THR A 202 -16.222 -7.864 -5.619 1.00 0.00 C ATOM 550 O THR A 202 -15.203 -7.436 -5.082 1.00 0.00 O ATOM 551 CB THR A 202 -18.399 -8.073 -4.392 1.00 0.00 C ATOM 552 OG1 THR A 202 -18.104 -7.110 -3.372 1.00 0.00 O ATOM 553 CG2 THR A 202 -19.427 -9.066 -3.880 1.00 0.00 C ATOM 0 H THR A 202 -16.513 -8.735 -2.864 1.00 0.00 H new ATOM 0 HA THR A 202 -17.428 -9.644 -5.433 1.00 0.00 H new ATOM 0 HB THR A 202 -18.814 -7.561 -5.260 1.00 0.00 H new ATOM 0 HG1 THR A 202 -17.959 -7.571 -2.519 1.00 0.00 H new ATOM 0 HG21 THR A 202 -20.328 -8.533 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 202 -19.673 -9.775 -4.670 1.00 0.00 H new ATOM 0 HG23 THR A 202 -19.019 -9.604 -3.024 1.00 0.00 H new ATOM 561 N GLU A 203 -16.536 -7.539 -6.861 1.00 0.00 N ATOM 562 CA GLU A 203 -15.743 -6.520 -7.526 1.00 0.00 C ATOM 563 C GLU A 203 -15.814 -5.249 -6.704 1.00 0.00 C ATOM 564 O GLU A 203 -14.863 -4.487 -6.650 1.00 0.00 O ATOM 565 CB GLU A 203 -16.191 -6.259 -8.956 1.00 0.00 C ATOM 566 CG GLU A 203 -15.545 -5.008 -9.549 1.00 0.00 C ATOM 567 CD GLU A 203 -16.205 -4.522 -10.820 1.00 0.00 C ATOM 568 OE1 GLU A 203 -16.060 -5.181 -11.867 1.00 0.00 O ATOM 569 OE2 GLU A 203 -16.862 -3.457 -10.775 1.00 0.00 O ATOM 0 H GLU A 203 -17.296 -7.943 -7.408 1.00 0.00 H new ATOM 0 HA GLU A 203 -14.716 -6.877 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -15.943 -7.121 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -17.275 -6.151 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -15.574 -4.210 -8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -14.494 -5.215 -9.753 1.00 0.00 H new ATOM 576 N THR A 204 -16.928 -5.088 -6.003 1.00 0.00 N ATOM 577 CA THR A 204 -17.109 -4.000 -5.065 1.00 0.00 C ATOM 578 C THR A 204 -16.008 -4.034 -4.016 1.00 0.00 C ATOM 579 O THR A 204 -15.329 -3.037 -3.772 1.00 0.00 O ATOM 580 CB THR A 204 -18.451 -4.162 -4.338 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.527 -4.195 -5.285 1.00 0.00 O ATOM 582 CG2 THR A 204 -18.669 -3.028 -3.348 1.00 0.00 C ATOM 0 H THR A 204 -17.731 -5.713 -6.073 1.00 0.00 H new ATOM 0 HA THR A 204 -17.082 -3.060 -5.616 1.00 0.00 H new ATOM 0 HB THR A 204 -18.429 -5.103 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.378 -4.300 -4.810 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.626 -3.164 -2.845 1.00 0.00 H new ATOM 0 HG22 THR A 204 -17.867 -3.030 -2.610 1.00 0.00 H new ATOM 0 HG23 THR A 204 -18.670 -2.076 -3.879 1.00 0.00 H new ATOM 590 N ASP A 205 -15.834 -5.200 -3.408 1.00 0.00 N ATOM 591 CA ASP A 205 -14.784 -5.394 -2.426 1.00 0.00 C ATOM 592 C ASP A 205 -13.433 -5.129 -3.051 1.00 0.00 C ATOM 593 O ASP A 205 -12.691 -4.297 -2.573 1.00 0.00 O ATOM 594 CB ASP A 205 -14.794 -6.818 -1.868 1.00 0.00 C ATOM 595 CG ASP A 205 -15.999 -7.117 -1.009 1.00 0.00 C ATOM 596 OD1 ASP A 205 -16.158 -6.480 0.047 1.00 0.00 O ATOM 597 OD2 ASP A 205 -16.781 -8.017 -1.381 1.00 0.00 O ATOM 0 H ASP A 205 -16.409 -6.025 -3.580 1.00 0.00 H new ATOM 0 HA ASP A 205 -14.967 -4.695 -1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.763 -7.525 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.890 -6.976 -1.280 1.00 0.00 H new ATOM 602 N ILE A 206 -13.143 -5.833 -4.137 1.00 0.00 N ATOM 603 CA ILE A 206 -11.816 -5.814 -4.748 1.00 0.00 C ATOM 604 C ILE A 206 -11.420 -4.440 -5.285 1.00 0.00 C ATOM 605 O ILE A 206 -10.268 -4.030 -5.141 1.00 0.00 O ATOM 606 CB ILE A 206 -11.718 -6.881 -5.853 1.00 0.00 C ATOM 607 CG1 ILE A 206 -12.303 -8.184 -5.315 1.00 0.00 C ATOM 608 CG2 ILE A 206 -10.265 -7.081 -6.227 1.00 0.00 C ATOM 609 CD1 ILE A 206 -12.846 -9.136 -6.347 1.00 0.00 C ATOM 0 H ILE A 206 -13.815 -6.431 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 206 -11.105 -6.049 -3.956 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.270 -6.566 -6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -11.530 -8.699 -4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -13.104 -7.939 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -10.191 -7.836 -7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -9.850 -6.141 -6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -9.706 -7.410 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -13.235 -10.026 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -13.648 -8.651 -6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -12.049 -9.422 -7.033 1.00 0.00 H new ATOM 621 N LYS A 207 -12.360 -3.728 -5.886 1.00 0.00 N ATOM 622 CA LYS A 207 -12.102 -2.367 -6.335 1.00 0.00 C ATOM 623 C LYS A 207 -11.796 -1.497 -5.126 1.00 0.00 C ATOM 624 O LYS A 207 -10.789 -0.804 -5.106 1.00 0.00 O ATOM 625 CB LYS A 207 -13.298 -1.832 -7.150 1.00 0.00 C ATOM 626 CG LYS A 207 -14.546 -1.538 -6.326 1.00 0.00 C ATOM 627 CD LYS A 207 -15.824 -1.720 -7.134 1.00 0.00 C ATOM 628 CE LYS A 207 -15.918 -0.741 -8.272 1.00 0.00 C ATOM 629 NZ LYS A 207 -17.054 -1.044 -9.180 1.00 0.00 N ATOM 0 H LYS A 207 -13.304 -4.066 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 207 -11.237 -2.349 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -12.993 -0.919 -7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -13.551 -2.560 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.570 -2.197 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -14.498 -0.516 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.863 -2.736 -7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.687 -1.598 -6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -16.032 0.267 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -14.987 -0.756 -8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -17.164 -0.272 -9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -16.867 -1.934 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -17.928 -1.138 -8.624 1.00 0.00 H new ATOM 643 N ALA A 208 -12.625 -1.602 -4.090 1.00 0.00 N ATOM 644 CA ALA A 208 -12.400 -0.863 -2.857 1.00 0.00 C ATOM 645 C ALA A 208 -11.057 -1.248 -2.247 1.00 0.00 C ATOM 646 O ALA A 208 -10.343 -0.399 -1.714 1.00 0.00 O ATOM 647 CB ALA A 208 -13.533 -1.110 -1.871 1.00 0.00 C ATOM 0 H ALA A 208 -13.457 -2.192 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 208 -12.379 0.202 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -13.347 -0.549 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.476 -0.784 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.589 -2.174 -1.640 1.00 0.00 H new ATOM 653 N MET A 209 -10.716 -2.531 -2.360 1.00 0.00 N ATOM 654 CA MET A 209 -9.426 -3.035 -1.909 1.00 0.00 C ATOM 655 C MET A 209 -8.319 -2.248 -2.574 1.00 0.00 C ATOM 656 O MET A 209 -7.494 -1.660 -1.900 1.00 0.00 O ATOM 657 CB MET A 209 -9.243 -4.527 -2.238 1.00 0.00 C ATOM 658 CG MET A 209 -10.218 -5.464 -1.540 1.00 0.00 C ATOM 659 SD MET A 209 -9.780 -7.202 -1.771 1.00 0.00 S ATOM 660 CE MET A 209 -11.337 -7.923 -2.301 1.00 0.00 C ATOM 0 H MET A 209 -11.324 -3.244 -2.764 1.00 0.00 H new ATOM 0 HA MET A 209 -9.387 -2.919 -0.826 1.00 0.00 H new ATOM 0 HB2 MET A 209 -9.342 -4.661 -3.315 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.227 -4.820 -1.972 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.239 -5.235 -0.475 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.223 -5.291 -1.923 1.00 0.00 H new ATOM 0 HE1 MET A 209 -11.164 -8.937 -2.662 1.00 0.00 H new ATOM 0 HE2 MET A 209 -12.030 -7.950 -1.460 1.00 0.00 H new ATOM 0 HE3 MET A 209 -11.763 -7.320 -3.103 1.00 0.00 H new ATOM 670 N GLU A 210 -8.350 -2.203 -3.903 1.00 0.00 N ATOM 671 CA GLU A 210 -7.328 -1.518 -4.685 1.00 0.00 C ATOM 672 C GLU A 210 -7.170 -0.056 -4.271 1.00 0.00 C ATOM 673 O GLU A 210 -6.074 0.497 -4.346 1.00 0.00 O ATOM 674 CB GLU A 210 -7.650 -1.610 -6.179 1.00 0.00 C ATOM 675 CG GLU A 210 -7.578 -3.027 -6.729 1.00 0.00 C ATOM 676 CD GLU A 210 -7.712 -3.078 -8.237 1.00 0.00 C ATOM 677 OE1 GLU A 210 -8.844 -2.952 -8.749 1.00 0.00 O ATOM 678 OE2 GLU A 210 -6.680 -3.237 -8.925 1.00 0.00 O ATOM 0 H GLU A 210 -9.081 -2.639 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.380 -2.019 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.650 -1.212 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -6.955 -0.978 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -6.629 -3.477 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.368 -3.628 -6.278 1.00 0.00 H new ATOM 685 N ARG A 211 -8.252 0.567 -3.816 1.00 0.00 N ATOM 686 CA ARG A 211 -8.189 1.970 -3.408 1.00 0.00 C ATOM 687 C ARG A 211 -7.425 2.082 -2.098 1.00 0.00 C ATOM 688 O ARG A 211 -6.491 2.879 -1.950 1.00 0.00 O ATOM 689 CB ARG A 211 -9.583 2.588 -3.213 1.00 0.00 C ATOM 690 CG ARG A 211 -10.684 2.071 -4.131 1.00 0.00 C ATOM 691 CD ARG A 211 -10.237 1.881 -5.579 1.00 0.00 C ATOM 692 NE ARG A 211 -9.435 2.989 -6.090 1.00 0.00 N ATOM 693 CZ ARG A 211 -8.811 2.961 -7.266 1.00 0.00 C ATOM 694 NH1 ARG A 211 -8.974 1.927 -8.082 1.00 0.00 N ATOM 695 NH2 ARG A 211 -8.024 3.964 -7.626 1.00 0.00 N ATOM 0 H ARG A 211 -9.170 0.133 -3.720 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.685 2.515 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.891 2.420 -2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -9.502 3.666 -3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -11.050 1.119 -3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -11.522 2.768 -4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -9.660 0.959 -5.655 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -11.117 1.759 -6.210 1.00 0.00 H new ATOM 0 HE ARG A 211 -9.348 3.828 -5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -9.578 1.152 -7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -8.495 1.907 -8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -7.895 4.760 -7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -7.547 3.940 -8.527 1.00 0.00 H new ATOM 709 N VAL A 212 -7.835 1.267 -1.149 1.00 0.00 N ATOM 710 CA VAL A 212 -7.184 1.208 0.146 1.00 0.00 C ATOM 711 C VAL A 212 -5.741 0.765 -0.020 1.00 0.00 C ATOM 712 O VAL A 212 -4.865 1.206 0.705 1.00 0.00 O ATOM 713 CB VAL A 212 -7.915 0.231 1.089 1.00 0.00 C ATOM 714 CG1 VAL A 212 -7.357 0.304 2.502 1.00 0.00 C ATOM 715 CG2 VAL A 212 -9.407 0.514 1.073 1.00 0.00 C ATOM 0 H VAL A 212 -8.625 0.629 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 212 -7.215 2.205 0.586 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.749 -0.785 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -7.894 -0.397 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -6.298 0.046 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -7.479 1.316 2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -9.916 -0.180 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -9.587 1.536 1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.790 0.389 0.060 1.00 0.00 H new ATOM 725 N VAL A 213 -5.521 -0.094 -1.000 1.00 0.00 N ATOM 726 CA VAL A 213 -4.204 -0.634 -1.302 1.00 0.00 C ATOM 727 C VAL A 213 -3.268 0.418 -1.874 1.00 0.00 C ATOM 728 O VAL A 213 -2.104 0.489 -1.468 1.00 0.00 O ATOM 729 CB VAL A 213 -4.302 -1.802 -2.295 1.00 0.00 C ATOM 730 CG1 VAL A 213 -2.947 -2.110 -2.891 1.00 0.00 C ATOM 731 CG2 VAL A 213 -4.867 -3.033 -1.617 1.00 0.00 C ATOM 0 H VAL A 213 -6.257 -0.440 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.794 -0.986 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 213 -4.976 -1.508 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -3.038 -2.940 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.572 -1.231 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -2.253 -2.381 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -4.928 -3.849 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.217 -3.325 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -5.863 -2.812 -1.233 1.00 0.00 H new ATOM 741 N GLU A 214 -3.749 1.225 -2.820 1.00 0.00 N ATOM 742 CA GLU A 214 -2.895 2.241 -3.411 1.00 0.00 C ATOM 743 C GLU A 214 -2.365 3.149 -2.310 1.00 0.00 C ATOM 744 O GLU A 214 -1.177 3.428 -2.250 1.00 0.00 O ATOM 745 CB GLU A 214 -3.614 3.043 -4.510 1.00 0.00 C ATOM 746 CG GLU A 214 -4.754 3.919 -4.020 1.00 0.00 C ATOM 747 CD GLU A 214 -5.392 4.729 -5.129 1.00 0.00 C ATOM 748 OE1 GLU A 214 -4.656 5.433 -5.853 1.00 0.00 O ATOM 749 OE2 GLU A 214 -6.633 4.694 -5.261 1.00 0.00 O ATOM 0 H GLU A 214 -4.702 1.194 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 214 -2.058 1.746 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -2.883 3.673 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -4.004 2.346 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -5.513 3.292 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -4.381 4.595 -3.251 1.00 0.00 H new ATOM 756 N GLN A 215 -3.240 3.544 -1.397 1.00 0.00 N ATOM 757 CA GLN A 215 -2.825 4.318 -0.233 1.00 0.00 C ATOM 758 C GLN A 215 -2.082 3.451 0.778 1.00 0.00 C ATOM 759 O GLN A 215 -1.278 3.958 1.537 1.00 0.00 O ATOM 760 CB GLN A 215 -4.029 4.987 0.425 1.00 0.00 C ATOM 761 CG GLN A 215 -4.542 6.195 -0.341 1.00 0.00 C ATOM 762 CD GLN A 215 -3.577 7.366 -0.301 1.00 0.00 C ATOM 763 OE1 GLN A 215 -3.619 8.188 0.616 1.00 0.00 O ATOM 764 NE2 GLN A 215 -2.722 7.472 -1.302 1.00 0.00 N ATOM 0 H GLN A 215 -4.239 3.343 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 215 -2.139 5.091 -0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -4.834 4.258 0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -3.757 5.295 1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -4.722 5.913 -1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -5.500 6.505 0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -2.716 6.772 -2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -2.068 8.254 -1.333 1.00 0.00 H new ATOM 773 N MET A 216 -2.363 2.154 0.801 1.00 0.00 N ATOM 774 CA MET A 216 -1.702 1.243 1.735 1.00 0.00 C ATOM 775 C MET A 216 -0.209 1.177 1.444 1.00 0.00 C ATOM 776 O MET A 216 0.625 1.389 2.327 1.00 0.00 O ATOM 777 CB MET A 216 -2.321 -0.166 1.665 1.00 0.00 C ATOM 778 CG MET A 216 -1.742 -1.147 2.677 1.00 0.00 C ATOM 779 SD MET A 216 -2.654 -2.708 2.776 1.00 0.00 S ATOM 780 CE MET A 216 -2.252 -3.484 1.209 1.00 0.00 C ATOM 0 H MET A 216 -3.043 1.707 0.186 1.00 0.00 H new ATOM 0 HA MET A 216 -1.848 1.629 2.744 1.00 0.00 H new ATOM 0 HB2 MET A 216 -3.396 -0.088 1.824 1.00 0.00 H new ATOM 0 HB3 MET A 216 -2.176 -0.566 0.662 1.00 0.00 H new ATOM 0 HG2 MET A 216 -0.705 -1.357 2.414 1.00 0.00 H new ATOM 0 HG3 MET A 216 -1.733 -0.678 3.661 1.00 0.00 H new ATOM 0 HE1 MET A 216 -2.895 -4.351 1.057 1.00 0.00 H new ATOM 0 HE2 MET A 216 -2.406 -2.771 0.400 1.00 0.00 H new ATOM 0 HE3 MET A 216 -1.210 -3.803 1.218 1.00 0.00 H new ATOM 790 N CYS A 217 0.120 0.925 0.194 1.00 0.00 N ATOM 791 CA CYS A 217 1.510 0.807 -0.208 1.00 0.00 C ATOM 792 C CYS A 217 2.148 2.182 -0.336 1.00 0.00 C ATOM 793 O CYS A 217 3.318 2.366 -0.013 1.00 0.00 O ATOM 794 CB CYS A 217 1.638 0.062 -1.529 1.00 0.00 C ATOM 795 SG CYS A 217 3.256 -0.729 -1.755 1.00 0.00 S ATOM 0 H CYS A 217 -0.553 0.798 -0.561 1.00 0.00 H new ATOM 0 HA CYS A 217 2.029 0.240 0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.859 -0.698 -1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.464 0.759 -2.349 1.00 0.00 H new ATOM 800 N ILE A 218 1.377 3.154 -0.803 1.00 0.00 N ATOM 801 CA ILE A 218 1.872 4.516 -0.908 1.00 0.00 C ATOM 802 C ILE A 218 2.129 5.095 0.485 1.00 0.00 C ATOM 803 O ILE A 218 3.075 5.847 0.684 1.00 0.00 O ATOM 804 CB ILE A 218 0.911 5.398 -1.746 1.00 0.00 C ATOM 805 CG1 ILE A 218 1.069 5.051 -3.227 1.00 0.00 C ATOM 806 CG2 ILE A 218 1.167 6.870 -1.536 1.00 0.00 C ATOM 807 CD1 ILE A 218 0.154 5.829 -4.151 1.00 0.00 C ATOM 0 H ILE A 218 0.414 3.025 -1.113 1.00 0.00 H new ATOM 0 HA ILE A 218 2.824 4.504 -1.439 1.00 0.00 H new ATOM 0 HB ILE A 218 -0.108 5.193 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 218 2.103 5.231 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 218 0.881 3.986 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 218 0.471 7.450 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 218 1.025 7.117 -0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 218 2.189 7.107 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 218 0.331 5.522 -5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -0.885 5.630 -3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 218 0.357 6.895 -4.050 1.00 0.00 H new ATOM 819 N THR A 219 1.314 4.710 1.454 1.00 0.00 N ATOM 820 CA THR A 219 1.627 4.986 2.853 1.00 0.00 C ATOM 821 C THR A 219 2.998 4.412 3.218 1.00 0.00 C ATOM 822 O THR A 219 3.809 5.069 3.868 1.00 0.00 O ATOM 823 CB THR A 219 0.546 4.414 3.803 1.00 0.00 C ATOM 824 OG1 THR A 219 -0.649 5.203 3.726 1.00 0.00 O ATOM 825 CG2 THR A 219 1.032 4.365 5.244 1.00 0.00 C ATOM 0 H THR A 219 0.438 4.210 1.303 1.00 0.00 H new ATOM 0 HA THR A 219 1.646 6.069 2.976 1.00 0.00 H new ATOM 0 HB THR A 219 0.334 3.394 3.481 1.00 0.00 H new ATOM 0 HG1 THR A 219 -1.247 4.826 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.246 3.958 5.880 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.916 3.730 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.283 5.372 5.578 1.00 0.00 H new ATOM 833 N GLN A 220 3.264 3.195 2.769 1.00 0.00 N ATOM 834 CA GLN A 220 4.555 2.561 3.011 1.00 0.00 C ATOM 835 C GLN A 220 5.676 3.274 2.251 1.00 0.00 C ATOM 836 O GLN A 220 6.835 3.247 2.668 1.00 0.00 O ATOM 837 CB GLN A 220 4.506 1.082 2.639 1.00 0.00 C ATOM 838 CG GLN A 220 3.576 0.273 3.526 1.00 0.00 C ATOM 839 CD GLN A 220 3.964 0.321 4.996 1.00 0.00 C ATOM 840 OE1 GLN A 220 5.258 0.397 5.275 1.00 0.00 O flip ATOM 841 NE2 GLN A 220 3.105 0.275 5.877 1.00 0.00 N flip ATOM 0 H GLN A 220 2.606 2.626 2.236 1.00 0.00 H new ATOM 0 HA GLN A 220 4.772 2.642 4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 220 4.184 0.985 1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 220 5.511 0.665 2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 220 2.558 0.647 3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 220 3.574 -0.764 3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 220 2.118 0.217 5.625 1.00 0.00 H new ATOM 0 HE22 GLN A 220 3.380 0.295 6.859 1.00 0.00 H new ATOM 850 N TYR A 221 5.334 3.904 1.135 1.00 0.00 N ATOM 851 CA TYR A 221 6.290 4.719 0.396 1.00 0.00 C ATOM 852 C TYR A 221 6.625 5.972 1.201 1.00 0.00 C ATOM 853 O TYR A 221 7.793 6.364 1.312 1.00 0.00 O ATOM 854 CB TYR A 221 5.723 5.067 -1.000 1.00 0.00 C ATOM 855 CG TYR A 221 5.625 6.557 -1.335 1.00 0.00 C ATOM 856 CD1 TYR A 221 6.756 7.328 -1.544 1.00 0.00 C ATOM 857 CD2 TYR A 221 4.392 7.182 -1.453 1.00 0.00 C ATOM 858 CE1 TYR A 221 6.666 8.672 -1.856 1.00 0.00 C ATOM 859 CE2 TYR A 221 4.290 8.526 -1.763 1.00 0.00 C ATOM 860 CZ TYR A 221 5.430 9.267 -1.962 1.00 0.00 C ATOM 861 OH TYR A 221 5.336 10.606 -2.270 1.00 0.00 O ATOM 0 H TYR A 221 4.402 3.867 0.721 1.00 0.00 H new ATOM 0 HA TYR A 221 7.213 4.160 0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 221 6.347 4.586 -1.753 1.00 0.00 H new ATOM 0 HB3 TYR A 221 4.728 4.630 -1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 221 7.730 6.869 -1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 221 3.491 6.606 -1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 221 7.563 9.253 -2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 221 3.319 8.991 -1.848 1.00 0.00 H new ATOM 0 HH TYR A 221 4.392 10.868 -2.307 1.00 0.00 H new ATOM 871 N GLN A 222 5.593 6.594 1.769 1.00 0.00 N ATOM 872 CA GLN A 222 5.778 7.729 2.663 1.00 0.00 C ATOM 873 C GLN A 222 6.661 7.295 3.818 1.00 0.00 C ATOM 874 O GLN A 222 7.587 7.998 4.215 1.00 0.00 O ATOM 875 CB GLN A 222 4.430 8.221 3.192 1.00 0.00 C ATOM 876 CG GLN A 222 3.439 8.573 2.098 1.00 0.00 C ATOM 877 CD GLN A 222 2.060 8.888 2.640 1.00 0.00 C ATOM 878 OE1 GLN A 222 1.656 8.382 3.684 1.00 0.00 O ATOM 879 NE2 GLN A 222 1.324 9.719 1.923 1.00 0.00 N ATOM 0 H GLN A 222 4.619 6.328 1.624 1.00 0.00 H new ATOM 0 HA GLN A 222 6.248 8.548 2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 222 3.996 7.450 3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 222 4.593 9.098 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 222 3.810 9.432 1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 222 3.368 7.742 1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 222 1.697 10.117 1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 222 0.382 9.962 2.231 1.00 0.00 H new ATOM 888 N ARG A 223 6.368 6.099 4.318 1.00 0.00 N ATOM 889 CA ARG A 223 7.155 5.463 5.362 1.00 0.00 C ATOM 890 C ARG A 223 8.641 5.430 5.014 1.00 0.00 C ATOM 891 O ARG A 223 9.461 5.917 5.779 1.00 0.00 O ATOM 892 CB ARG A 223 6.656 4.034 5.595 1.00 0.00 C ATOM 893 CG ARG A 223 7.613 3.179 6.410 1.00 0.00 C ATOM 894 CD ARG A 223 7.770 3.713 7.816 1.00 0.00 C ATOM 895 NE ARG A 223 6.521 3.635 8.570 1.00 0.00 N ATOM 896 CZ ARG A 223 6.416 3.911 9.867 1.00 0.00 C ATOM 897 NH1 ARG A 223 7.491 4.263 10.564 1.00 0.00 N ATOM 898 NH2 ARG A 223 5.238 3.824 10.469 1.00 0.00 N ATOM 0 H ARG A 223 5.572 5.542 4.006 1.00 0.00 H new ATOM 0 HA ARG A 223 7.033 6.054 6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 223 5.693 4.073 6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 223 6.487 3.556 4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 223 7.245 2.154 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 223 8.586 3.151 5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 223 8.544 3.147 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 223 8.106 4.749 7.776 1.00 0.00 H new ATOM 0 HE ARG A 223 5.678 3.351 8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 223 8.400 4.322 10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 223 7.407 4.474 11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 223 4.413 3.546 9.938 1.00 0.00 H new ATOM 0 HH22 ARG A 223 5.157 4.035 11.464 1.00 0.00 H new ATOM 912 N GLU A 224 8.982 4.839 3.875 1.00 0.00 N ATOM 913 CA GLU A 224 10.383 4.661 3.498 1.00 0.00 C ATOM 914 C GLU A 224 11.104 5.990 3.324 1.00 0.00 C ATOM 915 O GLU A 224 12.170 6.207 3.902 1.00 0.00 O ATOM 916 CB GLU A 224 10.536 3.826 2.218 1.00 0.00 C ATOM 917 CG GLU A 224 11.535 2.700 2.416 1.00 0.00 C ATOM 918 CD GLU A 224 11.550 1.678 1.300 1.00 0.00 C ATOM 919 OE1 GLU A 224 12.295 1.862 0.317 1.00 0.00 O ATOM 920 OE2 GLU A 224 10.836 0.661 1.425 1.00 0.00 O ATOM 0 H GLU A 224 8.312 4.475 3.197 1.00 0.00 H new ATOM 0 HA GLU A 224 10.844 4.120 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 224 9.569 3.412 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 224 10.863 4.467 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 224 12.533 3.128 2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 224 11.312 2.193 3.355 1.00 0.00 H new ATOM 927 N SER A 225 10.537 6.887 2.544 1.00 0.00 N ATOM 928 CA SER A 225 11.195 8.155 2.288 1.00 0.00 C ATOM 929 C SER A 225 11.298 8.976 3.562 1.00 0.00 C ATOM 930 O SER A 225 12.219 9.772 3.708 1.00 0.00 O ATOM 931 CB SER A 225 10.461 8.930 1.196 1.00 0.00 C ATOM 932 OG SER A 225 9.076 9.020 1.471 1.00 0.00 O ATOM 0 H SER A 225 9.636 6.767 2.082 1.00 0.00 H new ATOM 0 HA SER A 225 12.207 7.951 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.883 9.932 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.612 8.439 0.235 1.00 0.00 H new ATOM 0 HG SER A 225 8.647 8.162 1.273 1.00 0.00 H new ATOM 938 N GLN A 226 10.361 8.779 4.479 1.00 0.00 N ATOM 939 CA GLN A 226 10.466 9.370 5.805 1.00 0.00 C ATOM 940 C GLN A 226 11.578 8.704 6.557 1.00 0.00 C ATOM 941 O GLN A 226 12.368 9.365 7.233 1.00 0.00 O ATOM 942 CB GLN A 226 9.167 9.182 6.595 1.00 0.00 C ATOM 943 CG GLN A 226 9.207 9.723 8.023 1.00 0.00 C ATOM 944 CD GLN A 226 9.577 8.660 9.049 1.00 0.00 C ATOM 945 OE1 GLN A 226 8.715 7.955 9.567 1.00 0.00 O ATOM 946 NE2 GLN A 226 10.860 8.551 9.362 1.00 0.00 N ATOM 0 H GLN A 226 9.523 8.217 4.330 1.00 0.00 H new ATOM 0 HA GLN A 226 10.661 10.436 5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 226 8.356 9.673 6.057 1.00 0.00 H new ATOM 0 HB3 GLN A 226 8.929 8.119 6.630 1.00 0.00 H new ATOM 0 HG2 GLN A 226 9.927 10.539 8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 226 8.232 10.141 8.275 1.00 0.00 H new ATOM 0 HE21 GLN A 226 11.548 9.154 8.911 1.00 0.00 H new ATOM 0 HE22 GLN A 226 11.160 7.864 10.054 1.00 0.00 H new ATOM 955 N ALA A 227 11.620 7.388 6.433 1.00 0.00 N ATOM 956 CA ALA A 227 12.487 6.571 7.239 1.00 0.00 C ATOM 957 C ALA A 227 13.914 7.094 7.197 1.00 0.00 C ATOM 958 O ALA A 227 14.545 7.271 8.240 1.00 0.00 O ATOM 959 CB ALA A 227 12.417 5.117 6.790 1.00 0.00 C ATOM 0 H ALA A 227 11.051 6.864 5.768 1.00 0.00 H new ATOM 0 HA ALA A 227 12.147 6.621 8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 227 13.079 4.512 7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 227 11.394 4.754 6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 227 12.728 5.043 5.748 1.00 0.00 H new ATOM 965 N TYR A 228 14.436 7.339 6.002 1.00 0.00 N ATOM 966 CA TYR A 228 15.747 7.955 5.905 1.00 0.00 C ATOM 967 C TYR A 228 15.658 9.483 5.794 1.00 0.00 C ATOM 968 O TYR A 228 16.653 10.180 5.993 1.00 0.00 O ATOM 969 CB TYR A 228 16.562 7.379 4.744 1.00 0.00 C ATOM 970 CG TYR A 228 17.997 7.856 4.730 1.00 0.00 C ATOM 971 CD1 TYR A 228 18.915 7.382 5.658 1.00 0.00 C ATOM 972 CD2 TYR A 228 18.425 8.796 3.806 1.00 0.00 C ATOM 973 CE1 TYR A 228 20.222 7.829 5.658 1.00 0.00 C ATOM 974 CE2 TYR A 228 19.727 9.250 3.801 1.00 0.00 C ATOM 975 CZ TYR A 228 20.622 8.765 4.728 1.00 0.00 C ATOM 976 OH TYR A 228 21.919 9.222 4.725 1.00 0.00 O ATOM 0 H TYR A 228 13.985 7.127 5.112 1.00 0.00 H new ATOM 0 HA TYR A 228 16.268 7.718 6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 228 16.548 6.291 4.803 1.00 0.00 H new ATOM 0 HB3 TYR A 228 16.085 7.653 3.803 1.00 0.00 H new ATOM 0 HD1 TYR A 228 18.602 6.653 6.391 1.00 0.00 H new ATOM 0 HD2 TYR A 228 17.727 9.180 3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 228 20.926 7.448 6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 228 20.043 9.983 3.073 1.00 0.00 H new ATOM 0 HH TYR A 228 22.033 9.877 4.005 1.00 0.00 H new ATOM 986 N TYR A 229 14.460 9.991 5.480 1.00 0.00 N ATOM 987 CA TYR A 229 14.243 11.418 5.212 1.00 0.00 C ATOM 988 C TYR A 229 14.843 11.785 3.860 1.00 0.00 C ATOM 989 O TYR A 229 15.584 12.756 3.723 1.00 0.00 O ATOM 990 CB TYR A 229 14.805 12.320 6.324 1.00 0.00 C ATOM 991 CG TYR A 229 14.044 12.235 7.631 1.00 0.00 C ATOM 992 CD1 TYR A 229 12.866 12.951 7.818 1.00 0.00 C ATOM 993 CD2 TYR A 229 14.504 11.444 8.677 1.00 0.00 C ATOM 994 CE1 TYR A 229 12.169 12.880 9.010 1.00 0.00 C ATOM 995 CE2 TYR A 229 13.811 11.368 9.872 1.00 0.00 C ATOM 996 CZ TYR A 229 12.645 12.088 10.033 1.00 0.00 C ATOM 997 OH TYR A 229 11.957 12.018 11.226 1.00 0.00 O ATOM 0 H TYR A 229 13.615 9.425 5.405 1.00 0.00 H new ATOM 0 HA TYR A 229 13.167 11.590 5.190 1.00 0.00 H new ATOM 0 HB2 TYR A 229 15.846 12.052 6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 229 14.797 13.354 5.978 1.00 0.00 H new ATOM 0 HD1 TYR A 229 12.490 13.573 7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 229 15.417 10.880 8.555 1.00 0.00 H new ATOM 0 HE1 TYR A 229 11.256 13.442 9.139 1.00 0.00 H new ATOM 0 HE2 TYR A 229 14.181 10.748 10.675 1.00 0.00 H new ATOM 0 HH TYR A 229 12.427 11.415 11.840 1.00 0.00 H new ATOM 1007 N GLN A 230 14.509 10.979 2.865 1.00 0.00 N ATOM 1008 CA GLN A 230 14.953 11.199 1.500 1.00 0.00 C ATOM 1009 C GLN A 230 14.044 12.199 0.815 1.00 0.00 C ATOM 1010 O GLN A 230 14.418 13.351 0.604 1.00 0.00 O ATOM 1011 CB GLN A 230 14.972 9.866 0.752 1.00 0.00 C ATOM 1012 CG GLN A 230 16.124 8.989 1.155 1.00 0.00 C ATOM 1013 CD GLN A 230 17.474 9.535 0.721 1.00 0.00 C ATOM 1014 OE1 GLN A 230 17.677 10.747 0.641 1.00 0.00 O ATOM 1015 NE2 GLN A 230 18.401 8.639 0.425 1.00 0.00 N ATOM 0 H GLN A 230 13.922 10.153 2.982 1.00 0.00 H new ATOM 0 HA GLN A 230 15.963 11.610 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 230 14.037 9.337 0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 230 15.024 10.057 -0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 230 16.119 8.869 2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 230 15.985 7.997 0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 230 18.192 7.644 0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 230 19.325 8.943 0.117 1.00 0.00 H new ATOM 1024 N ARG A 231 12.851 11.753 0.467 1.00 0.00 N ATOM 1025 CA ARG A 231 11.813 12.664 0.034 1.00 0.00 C ATOM 1026 C ARG A 231 11.091 13.180 1.266 1.00 0.00 C ATOM 1027 O ARG A 231 10.771 14.361 1.390 1.00 0.00 O ATOM 1028 CB ARG A 231 10.831 11.947 -0.894 1.00 0.00 C ATOM 1029 CG ARG A 231 9.655 12.812 -1.289 1.00 0.00 C ATOM 1030 CD ARG A 231 10.145 14.097 -1.918 1.00 0.00 C ATOM 1031 NE ARG A 231 9.057 14.954 -2.383 1.00 0.00 N ATOM 1032 CZ ARG A 231 9.249 16.046 -3.124 1.00 0.00 C ATOM 1033 NH1 ARG A 231 10.477 16.406 -3.477 1.00 0.00 N ATOM 1034 NH2 ARG A 231 8.215 16.773 -3.520 1.00 0.00 N ATOM 0 H ARG A 231 12.580 10.770 0.476 1.00 0.00 H new ATOM 0 HA ARG A 231 12.252 13.495 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 231 11.357 11.626 -1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 231 10.464 11.047 -0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 231 9.017 12.274 -1.991 1.00 0.00 H new ATOM 0 HG3 ARG A 231 9.047 13.036 -0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 231 10.747 14.644 -1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 231 10.797 13.859 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 231 8.102 14.704 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 231 11.277 15.847 -3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 231 10.620 17.242 -4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 231 7.268 16.498 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 231 8.366 17.608 -4.087 1.00 0.00 H new ATOM 1048 N GLY A 232 10.856 12.255 2.171 1.00 0.00 N ATOM 1049 CA GLY A 232 10.413 12.582 3.504 1.00 0.00 C ATOM 1050 C GLY A 232 8.926 12.380 3.676 1.00 0.00 C ATOM 1051 O GLY A 232 8.501 11.535 4.462 1.00 0.00 O ATOM 0 H GLY A 232 10.967 11.255 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 232 10.948 11.964 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 232 10.665 13.619 3.725 1.00 0.00 H new ATOM 1055 N ALA A 233 8.139 13.164 2.938 1.00 0.00 N ATOM 1056 CA ALA A 233 6.677 13.084 2.980 1.00 0.00 C ATOM 1057 C ALA A 233 6.145 13.333 4.393 1.00 0.00 C ATOM 1058 O ALA A 233 5.016 12.973 4.720 1.00 0.00 O ATOM 1059 CB ALA A 233 6.196 11.738 2.451 1.00 0.00 C ATOM 0 H ALA A 233 8.495 13.871 2.295 1.00 0.00 H new ATOM 0 HA ALA A 233 6.282 13.869 2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 233 5.107 11.699 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 233 6.526 11.613 1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 233 6.610 10.937 3.064 1.00 0.00 H new ATOM 1065 N SER A 234 6.970 13.956 5.222 1.00 0.00 N ATOM 1066 CA SER A 234 6.609 14.251 6.594 1.00 0.00 C ATOM 1067 C SER A 234 7.080 15.654 6.955 1.00 0.00 C ATOM 1068 O SER A 234 6.253 16.587 6.907 1.00 0.00 O ATOM 1069 CB SER A 234 7.222 13.212 7.539 1.00 0.00 C ATOM 1070 OG SER A 234 6.818 11.899 7.179 1.00 0.00 O ATOM 1071 OXT SER A 234 8.284 15.827 7.228 1.00 0.00 O ATOM 0 H SER A 234 7.905 14.269 4.960 1.00 0.00 H new ATOM 0 HA SER A 234 5.525 14.206 6.699 1.00 0.00 H new ATOM 0 HB2 SER A 234 8.309 13.283 7.509 1.00 0.00 H new ATOM 0 HB3 SER A 234 6.917 13.422 8.564 1.00 0.00 H new ATOM 0 HG SER A 234 7.272 11.632 6.352 1.00 0.00 H new TER 1077 SER A 234