USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 423 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 26 GLN :FLIP amide:sc= -3.84! C(o=-8.1!,f=-4.3!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= -0.498 F(o=-8.1!,f=-4.3) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.2) USER MOD Set 2.2: A 25 GLN : amide:sc= 0 K(o=-0.12,f=-1.2) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.29 K(o=-1.2,f=-6.1!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= 0.124 F(o=-4.6,f=-1.2) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.0485 (180deg=-0.521) USER MOD Single : A 9 MET CE :methyl -158:sc= -0.345 (180deg=-1.91) USER MOD Single : A 11 ASN : amide:sc= -0.0142 K(o=-0.014,f=-0.85) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0341 X(o=-0.034,f=-0.029) USER MOD Single : A 27 LYS NZ :NH3+ -122:sc= -0.122 (180deg=-1.26!) USER MOD Single : A 33 SER OG : rot -34:sc= 1.2 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.208 USER MOD Single : A 43 ASN : amide:sc=-8.41e-05 K(o=-8.4e-05,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0.641 (180deg=0.599) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.680 13.389 -0.493 1.00 0.00 N ATOM 100 CA LYS A 7 -1.554 12.962 -1.594 1.00 0.00 C ATOM 101 C LYS A 7 -1.126 11.597 -2.146 1.00 0.00 C ATOM 102 O LYS A 7 -1.970 10.726 -2.392 1.00 0.00 O ATOM 103 CB LYS A 7 -1.513 14.015 -2.716 1.00 0.00 C ATOM 104 CG LYS A 7 -2.556 13.696 -3.803 1.00 0.00 C ATOM 105 CD LYS A 7 -3.967 14.066 -3.310 1.00 0.00 C ATOM 106 CE LYS A 7 -4.979 13.896 -4.449 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.695 14.892 -5.522 1.00 0.00 N ATOM 0 HA LYS A 7 -2.570 12.867 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.705 15.004 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.517 14.043 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.324 14.249 -4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.517 12.636 -4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.245 13.433 -2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.978 15.096 -2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.921 12.885 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.993 14.031 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.547 15.029 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.421 15.798 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.919 14.545 -6.121 1.00 0.00 H new ATOM 121 N GLU A 8 0.184 11.416 -2.330 1.00 0.00 N ATOM 122 CA GLU A 8 0.713 10.151 -2.849 1.00 0.00 C ATOM 123 C GLU A 8 0.362 9.003 -1.903 1.00 0.00 C ATOM 124 O GLU A 8 0.007 7.904 -2.345 1.00 0.00 O ATOM 125 CB GLU A 8 2.240 10.246 -3.001 1.00 0.00 C ATOM 126 CG GLU A 8 2.603 11.301 -4.066 1.00 0.00 C ATOM 127 CD GLU A 8 4.126 11.388 -4.287 1.00 0.00 C ATOM 128 OE1 GLU A 8 4.879 11.016 -3.394 1.00 0.00 O ATOM 129 OE2 GLU A 8 4.518 11.832 -5.354 1.00 0.00 O ATOM 0 H GLU A 8 0.893 12.122 -2.130 1.00 0.00 H new ATOM 0 HA GLU A 8 0.264 9.958 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.692 10.512 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.646 9.275 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.112 11.052 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.224 12.275 -3.757 1.00 0.00 H new ATOM 136 N MET A 9 0.458 9.275 -0.602 1.00 0.00 N ATOM 137 CA MET A 9 0.146 8.274 0.418 1.00 0.00 C ATOM 138 C MET A 9 -1.328 7.897 0.350 1.00 0.00 C ATOM 139 O MET A 9 -1.681 6.729 0.516 1.00 0.00 O ATOM 140 CB MET A 9 0.480 8.826 1.810 1.00 0.00 C ATOM 141 CG MET A 9 1.981 9.116 1.889 1.00 0.00 C ATOM 142 SD MET A 9 2.370 9.909 3.466 1.00 0.00 S ATOM 143 CE MET A 9 4.027 10.457 3.001 1.00 0.00 C ATOM 0 H MET A 9 0.749 10.179 -0.230 1.00 0.00 H new ATOM 0 HA MET A 9 0.746 7.383 0.233 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.089 9.736 2.000 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.195 8.106 2.578 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.545 8.189 1.789 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.280 9.762 1.063 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.620 10.626 3.900 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.505 9.692 2.389 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.957 11.385 2.433 1.00 0.00 H new ATOM 153 N ARG A 10 -2.180 8.898 0.099 1.00 0.00 N ATOM 154 CA ARG A 10 -3.623 8.676 0.000 1.00 0.00 C ATOM 155 C ARG A 10 -3.932 7.684 -1.124 1.00 0.00 C ATOM 156 O ARG A 10 -4.804 6.821 -0.978 1.00 0.00 O ATOM 157 CB ARG A 10 -4.344 10.008 -0.261 1.00 0.00 C ATOM 158 CG ARG A 10 -5.867 9.814 -0.177 1.00 0.00 C ATOM 159 CD ARG A 10 -6.574 11.150 -0.449 1.00 0.00 C ATOM 160 NE ARG A 10 -8.019 11.014 -0.245 1.00 0.00 N ATOM 161 CZ ARG A 10 -8.814 10.425 -1.143 1.00 0.00 C ATOM 162 NH1 ARG A 10 -8.323 9.935 -2.250 1.00 0.00 N ATOM 163 NH2 ARG A 10 -10.092 10.337 -0.912 1.00 0.00 N ATOM 0 H ARG A 10 -1.893 9.867 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.978 8.259 0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.024 10.752 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.073 10.390 -1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.189 9.067 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.142 9.440 0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.178 11.920 0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.373 11.474 -1.470 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.432 11.382 0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.322 10.000 -2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.940 9.488 -2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.482 10.717 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.704 9.888 -1.594 1.00 0.00 H new ATOM 177 N ASN A 11 -3.208 7.815 -2.241 1.00 0.00 N ATOM 178 CA ASN A 11 -3.409 6.924 -3.386 1.00 0.00 C ATOM 179 C ASN A 11 -3.046 5.480 -3.025 1.00 0.00 C ATOM 180 O ASN A 11 -3.865 4.570 -3.188 1.00 0.00 O ATOM 181 CB ASN A 11 -2.557 7.389 -4.579 1.00 0.00 C ATOM 182 CG ASN A 11 -2.984 8.788 -5.034 1.00 0.00 C ATOM 183 OD1 ASN A 11 -2.158 9.697 -5.110 1.00 0.00 O ATOM 184 ND2 ASN A 11 -4.230 9.014 -5.351 1.00 0.00 N ATOM 0 H ASN A 11 -2.485 8.522 -2.375 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.463 6.960 -3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.504 7.398 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.662 6.685 -5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.517 9.942 -5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.916 8.262 -5.289 1.00 0.00 H new ATOM 191 N ALA A 12 -1.818 5.272 -2.534 1.00 0.00 N ATOM 192 CA ALA A 12 -1.368 3.925 -2.162 1.00 0.00 C ATOM 193 C ALA A 12 -2.213 3.363 -1.007 1.00 0.00 C ATOM 194 O ALA A 12 -2.465 2.158 -0.946 1.00 0.00 O ATOM 195 CB ALA A 12 0.125 3.940 -1.780 1.00 0.00 C ATOM 0 H ALA A 12 -1.127 6.008 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.499 3.274 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.441 2.933 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.714 4.288 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.277 4.610 -0.934 1.00 0.00 H new ATOM 201 N TYR A 13 -2.647 4.247 -0.102 1.00 0.00 N ATOM 202 CA TYR A 13 -3.465 3.850 1.055 1.00 0.00 C ATOM 203 C TYR A 13 -4.758 3.148 0.614 1.00 0.00 C ATOM 204 O TYR A 13 -5.033 2.012 1.019 1.00 0.00 O ATOM 205 CB TYR A 13 -3.804 5.118 1.872 1.00 0.00 C ATOM 206 CG TYR A 13 -4.764 4.813 3.014 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.147 4.775 2.776 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.276 4.592 4.309 1.00 0.00 C ATOM 209 CE1 TYR A 13 -7.034 4.514 3.828 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.166 4.331 5.360 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.544 4.291 5.118 1.00 0.00 C ATOM 212 OH TYR A 13 -7.419 4.035 6.153 1.00 0.00 O ATOM 0 H TYR A 13 -2.446 5.246 -0.147 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.901 3.143 1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.886 5.548 2.273 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.246 5.867 1.215 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.528 4.947 1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.213 4.623 4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.098 4.485 3.642 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.788 4.161 6.357 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.914 3.902 6.983 1.00 0.00 H new ATOM 222 N TRP A 14 -5.548 3.847 -0.197 1.00 0.00 N ATOM 223 CA TRP A 14 -6.828 3.326 -0.679 1.00 0.00 C ATOM 224 C TRP A 14 -6.653 2.158 -1.662 1.00 0.00 C ATOM 225 O TRP A 14 -7.373 1.159 -1.568 1.00 0.00 O ATOM 226 CB TRP A 14 -7.600 4.468 -1.347 1.00 0.00 C ATOM 227 CG TRP A 14 -8.994 4.034 -1.703 1.00 0.00 C ATOM 228 CD1 TRP A 14 -9.390 3.613 -2.928 1.00 0.00 C ATOM 229 CD2 TRP A 14 -10.175 3.975 -0.850 1.00 0.00 C ATOM 230 NE1 TRP A 14 -10.737 3.301 -2.879 1.00 0.00 N ATOM 231 CE2 TRP A 14 -11.265 3.506 -1.620 1.00 0.00 C ATOM 232 CE3 TRP A 14 -10.402 4.280 0.505 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -12.536 3.346 -1.068 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -11.681 4.119 1.064 1.00 0.00 C ATOM 235 CH2 TRP A 14 -12.745 3.653 0.279 1.00 0.00 C ATOM 0 H TRP A 14 -5.324 4.782 -0.537 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.382 2.936 0.175 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.642 5.326 -0.676 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.074 4.791 -2.246 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.758 3.534 -3.800 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.275 2.961 -3.676 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.589 4.640 1.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -13.352 2.987 -1.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -11.845 4.356 2.105 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -13.726 3.531 0.715 1.00 0.00 H new ATOM 246 N GLU A 15 -5.725 2.300 -2.616 1.00 0.00 N ATOM 247 CA GLU A 15 -5.507 1.254 -3.624 1.00 0.00 C ATOM 248 C GLU A 15 -5.114 -0.077 -2.979 1.00 0.00 C ATOM 249 O GLU A 15 -5.667 -1.123 -3.330 1.00 0.00 O ATOM 250 CB GLU A 15 -4.416 1.692 -4.616 1.00 0.00 C ATOM 251 CG GLU A 15 -4.938 2.831 -5.516 1.00 0.00 C ATOM 252 CD GLU A 15 -6.157 2.375 -6.330 1.00 0.00 C ATOM 253 OE1 GLU A 15 -6.037 1.397 -7.053 1.00 0.00 O ATOM 254 OE2 GLU A 15 -7.190 3.019 -6.228 1.00 0.00 O ATOM 0 H GLU A 15 -5.121 3.116 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.447 1.108 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.532 2.025 -4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.111 0.844 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.207 3.690 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.147 3.157 -6.191 1.00 0.00 H new ATOM 261 N ILE A 16 -4.176 -0.039 -2.032 1.00 0.00 N ATOM 262 CA ILE A 16 -3.751 -1.266 -1.355 1.00 0.00 C ATOM 263 C ILE A 16 -4.904 -1.844 -0.530 1.00 0.00 C ATOM 264 O ILE A 16 -5.132 -3.056 -0.539 1.00 0.00 O ATOM 265 CB ILE A 16 -2.524 -0.992 -0.461 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.332 -0.568 -1.346 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.150 -2.261 0.328 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.180 -0.055 -0.474 1.00 0.00 C ATOM 0 H ILE A 16 -3.704 0.810 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.466 -1.999 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.765 -0.194 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.995 -1.414 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.645 0.210 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.283 -2.057 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.990 -2.560 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.913 -3.065 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.654 0.241 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.517 0.805 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.143 -0.845 0.204 1.00 0.00 H new ATOM 280 N ALA A 17 -5.628 -0.969 0.176 1.00 0.00 N ATOM 281 CA ALA A 17 -6.757 -1.401 1.005 1.00 0.00 C ATOM 282 C ALA A 17 -7.819 -2.112 0.162 1.00 0.00 C ATOM 283 O ALA A 17 -8.499 -3.019 0.646 1.00 0.00 O ATOM 284 CB ALA A 17 -7.383 -0.190 1.705 1.00 0.00 C ATOM 0 H ALA A 17 -5.454 0.036 0.190 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.382 -2.102 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.221 -0.518 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.636 0.291 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.737 0.520 0.957 1.00 0.00 H new ATOM 290 N LEU A 18 -7.959 -1.684 -1.095 1.00 0.00 N ATOM 291 CA LEU A 18 -8.943 -2.271 -2.008 1.00 0.00 C ATOM 292 C LEU A 18 -8.644 -3.750 -2.291 1.00 0.00 C ATOM 293 O LEU A 18 -9.571 -4.540 -2.496 1.00 0.00 O ATOM 294 CB LEU A 18 -8.959 -1.478 -3.328 1.00 0.00 C ATOM 295 CG LEU A 18 -10.107 -1.961 -4.240 1.00 0.00 C ATOM 296 CD1 LEU A 18 -11.466 -1.591 -3.626 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.975 -1.296 -5.620 1.00 0.00 C ATOM 0 H LEU A 18 -7.403 -0.933 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.921 -2.216 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.077 -0.415 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.005 -1.597 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.047 -3.045 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.267 -1.937 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.565 -2.064 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.532 -0.509 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.784 -1.635 -6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.029 -0.213 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.018 -1.568 -6.065 1.00 0.00 H new ATOM 309 N LEU A 19 -7.353 -4.114 -2.328 1.00 0.00 N ATOM 310 CA LEU A 19 -6.953 -5.500 -2.622 1.00 0.00 C ATOM 311 C LEU A 19 -7.494 -6.473 -1.554 1.00 0.00 C ATOM 312 O LEU A 19 -7.155 -6.347 -0.374 1.00 0.00 O ATOM 313 CB LEU A 19 -5.413 -5.577 -2.679 1.00 0.00 C ATOM 314 CG LEU A 19 -4.903 -5.600 -4.141 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.594 -4.516 -4.989 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.387 -5.347 -4.153 1.00 0.00 C ATOM 0 H LEU A 19 -6.575 -3.476 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.375 -5.793 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.985 -4.722 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.072 -6.472 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.133 -6.576 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.215 -4.557 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.670 -4.689 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.386 -3.534 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.024 -5.362 -5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.177 -4.374 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.884 -6.125 -3.579 1.00 0.00 H new ATOM 328 N PRO A 20 -8.326 -7.437 -1.946 1.00 0.00 N ATOM 329 CA PRO A 20 -8.925 -8.445 -1.013 1.00 0.00 C ATOM 330 C PRO A 20 -8.091 -9.724 -0.823 1.00 0.00 C ATOM 331 O PRO A 20 -7.994 -10.242 0.293 1.00 0.00 O ATOM 332 CB PRO A 20 -10.250 -8.771 -1.701 1.00 0.00 C ATOM 333 CG PRO A 20 -9.951 -8.685 -3.164 1.00 0.00 C ATOM 334 CD PRO A 20 -8.805 -7.675 -3.327 1.00 0.00 C ATOM 0 HA PRO A 20 -9.005 -8.049 -0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.604 -9.765 -1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.029 -8.065 -1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.665 -9.660 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.832 -8.363 -3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.012 -8.073 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.152 -6.752 -3.792 1.00 0.00 H new ATOM 342 N ASN A 21 -7.540 -10.252 -1.925 1.00 0.00 N ATOM 343 CA ASN A 21 -6.768 -11.503 -1.888 1.00 0.00 C ATOM 344 C ASN A 21 -5.563 -11.422 -0.950 1.00 0.00 C ATOM 345 O ASN A 21 -5.245 -12.410 -0.283 1.00 0.00 O ATOM 346 CB ASN A 21 -6.314 -11.940 -3.307 1.00 0.00 C ATOM 347 CG ASN A 21 -6.067 -10.752 -4.245 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.757 -9.645 -3.804 1.00 0.00 O ATOM 349 ND2 ASN A 21 -6.181 -10.930 -5.534 1.00 0.00 N ATOM 0 H ASN A 21 -7.614 -9.833 -2.852 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.444 -12.260 -1.492 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.400 -12.529 -3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.074 -12.589 -3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.013 -10.153 -6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.438 -11.846 -5.902 1.00 0.00 H new ATOM 356 N LEU A 22 -4.900 -10.262 -0.890 1.00 0.00 N ATOM 357 CA LEU A 22 -3.734 -10.113 -0.013 1.00 0.00 C ATOM 358 C LEU A 22 -4.145 -10.273 1.446 1.00 0.00 C ATOM 359 O LEU A 22 -5.110 -9.651 1.900 1.00 0.00 O ATOM 360 CB LEU A 22 -3.052 -8.753 -0.214 1.00 0.00 C ATOM 361 CG LEU A 22 -2.228 -8.779 -1.507 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.156 -8.755 -2.721 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.298 -7.564 -1.548 1.00 0.00 C ATOM 0 H LEU A 22 -5.144 -9.429 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.021 -10.894 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.801 -7.963 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.407 -8.528 0.636 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.634 -9.693 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.561 -8.774 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.810 -9.627 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.760 -7.848 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.713 -7.584 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.891 -6.650 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.626 -7.591 -0.690 1.00 0.00 H new ATOM 375 N ASN A 23 -3.402 -11.122 2.165 1.00 0.00 N ATOM 376 CA ASN A 23 -3.675 -11.391 3.585 1.00 0.00 C ATOM 377 C ASN A 23 -3.796 -10.090 4.388 1.00 0.00 C ATOM 378 O ASN A 23 -3.135 -9.095 4.075 1.00 0.00 O ATOM 379 CB ASN A 23 -2.554 -12.254 4.176 1.00 0.00 C ATOM 380 CG ASN A 23 -2.904 -12.695 5.599 1.00 0.00 C ATOM 381 OD1 ASN A 23 -4.070 -12.949 5.912 1.00 0.00 O ATOM 382 ND2 ASN A 23 -1.955 -12.807 6.485 1.00 0.00 N ATOM 0 H ASN A 23 -2.606 -11.636 1.788 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.625 -11.922 3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.393 -13.130 3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.621 -11.691 4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.177 -13.104 7.435 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.990 -12.598 6.228 1.00 0.00 H new ATOM 389 N ASN A 24 -4.658 -10.111 5.414 1.00 0.00 N ATOM 390 CA ASN A 24 -4.896 -8.934 6.267 1.00 0.00 C ATOM 391 C ASN A 24 -3.588 -8.379 6.843 1.00 0.00 C ATOM 392 O ASN A 24 -3.421 -7.160 6.947 1.00 0.00 O ATOM 393 CB ASN A 24 -5.842 -9.307 7.418 1.00 0.00 C ATOM 394 CG ASN A 24 -7.203 -9.744 6.873 1.00 0.00 C ATOM 395 OD1 ASN A 24 -7.661 -10.851 7.155 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.883 -8.934 6.110 1.00 0.00 N ATOM 0 H ASN A 24 -5.204 -10.932 5.675 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.349 -8.161 5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.405 -10.112 8.009 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.968 -8.454 8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.793 -9.218 5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.505 -8.016 5.875 1.00 0.00 H new ATOM 403 N GLN A 25 -2.671 -9.280 7.207 1.00 0.00 N ATOM 404 CA GLN A 25 -1.380 -8.874 7.764 1.00 0.00 C ATOM 405 C GLN A 25 -0.588 -8.063 6.740 1.00 0.00 C ATOM 406 O GLN A 25 0.011 -7.042 7.080 1.00 0.00 O ATOM 407 CB GLN A 25 -0.570 -10.114 8.174 1.00 0.00 C ATOM 408 CG GLN A 25 -1.261 -10.820 9.350 1.00 0.00 C ATOM 409 CD GLN A 25 -0.530 -12.118 9.702 1.00 0.00 C ATOM 410 OE1 GLN A 25 -0.162 -12.892 8.816 1.00 0.00 O ATOM 411 NE2 GLN A 25 -0.296 -12.406 10.953 1.00 0.00 N ATOM 0 H GLN A 25 -2.798 -10.289 7.126 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.563 -8.254 8.642 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.481 -10.797 7.329 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.442 -9.822 8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.280 -10.160 10.217 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.297 -11.038 9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.599 -11.768 11.689 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.190 -13.269 11.195 1.00 0.00 H new ATOM 420 N GLN A 26 -0.600 -8.526 5.487 1.00 0.00 N ATOM 421 CA GLN A 26 0.114 -7.840 4.408 1.00 0.00 C ATOM 422 C GLN A 26 -0.509 -6.467 4.146 1.00 0.00 C ATOM 423 O GLN A 26 0.205 -5.472 3.978 1.00 0.00 O ATOM 424 CB GLN A 26 0.065 -8.691 3.129 1.00 0.00 C ATOM 425 CG GLN A 26 0.819 -10.013 3.356 1.00 0.00 C ATOM 426 CD GLN A 26 0.714 -10.900 2.117 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.449 -11.370 1.763 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 1.716 -11.169 1.455 1.00 0.00 N flip ATOM 0 H GLN A 26 -1.094 -9.369 5.196 1.00 0.00 H new ATOM 0 HA GLN A 26 1.153 -7.700 4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.970 -8.894 2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.513 -8.144 2.299 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.866 -9.809 3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.405 -10.532 4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.625 -10.800 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.637 -11.761 0.628 1.00 0.00 H new ATOM 437 N LYS A 27 -1.846 -6.427 4.122 1.00 0.00 N ATOM 438 CA LYS A 27 -2.574 -5.179 3.888 1.00 0.00 C ATOM 439 C LYS A 27 -2.287 -4.172 5.003 1.00 0.00 C ATOM 440 O LYS A 27 -1.927 -3.022 4.732 1.00 0.00 O ATOM 441 CB LYS A 27 -4.083 -5.470 3.813 1.00 0.00 C ATOM 442 CG LYS A 27 -4.863 -4.188 3.466 1.00 0.00 C ATOM 443 CD LYS A 27 -6.378 -4.434 3.604 1.00 0.00 C ATOM 444 CE LYS A 27 -6.928 -5.121 2.344 1.00 0.00 C ATOM 445 NZ LYS A 27 -6.812 -6.602 2.478 1.00 0.00 N ATOM 0 H LYS A 27 -2.442 -7.243 4.261 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.242 -4.748 2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.275 -6.235 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.431 -5.867 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.557 -3.377 4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.629 -3.875 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.574 -5.054 4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.893 -3.487 3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.971 -4.842 2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.378 -4.783 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.242 -6.978 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.353 -6.834 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.760 -7.028 2.452 1.00 0.00 H new ATOM 459 N ARG A 28 -2.445 -4.618 6.253 1.00 0.00 N ATOM 460 CA ARG A 28 -2.199 -3.756 7.411 1.00 0.00 C ATOM 461 C ARG A 28 -0.738 -3.305 7.448 1.00 0.00 C ATOM 462 O ARG A 28 -0.441 -2.147 7.760 1.00 0.00 O ATOM 463 CB ARG A 28 -2.546 -4.512 8.705 1.00 0.00 C ATOM 464 CG ARG A 28 -2.423 -3.572 9.917 1.00 0.00 C ATOM 465 CD ARG A 28 -2.751 -4.339 11.204 1.00 0.00 C ATOM 466 NE ARG A 28 -2.755 -3.424 12.349 1.00 0.00 N ATOM 467 CZ ARG A 28 -3.011 -3.842 13.592 1.00 0.00 C ATOM 468 NH1 ARG A 28 -3.275 -5.098 13.833 1.00 0.00 N ATOM 469 NH2 ARG A 28 -3.000 -2.987 14.574 1.00 0.00 N ATOM 0 H ARG A 28 -2.741 -5.566 6.487 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.831 -2.872 7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.560 -4.907 8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.878 -5.365 8.827 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.413 -3.165 9.972 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.102 -2.727 9.804 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.724 -4.822 11.111 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.017 -5.129 11.363 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.556 -2.436 12.192 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.287 -5.772 13.068 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.469 -5.405 14.786 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.797 -2.004 14.392 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.195 -3.300 15.525 1.00 0.00 H new ATOM 483 N ALA A 29 0.166 -4.237 7.135 1.00 0.00 N ATOM 484 CA ALA A 29 1.601 -3.955 7.141 1.00 0.00 C ATOM 485 C ALA A 29 1.974 -2.883 6.113 1.00 0.00 C ATOM 486 O ALA A 29 2.892 -2.097 6.351 1.00 0.00 O ATOM 487 CB ALA A 29 2.386 -5.239 6.853 1.00 0.00 C ATOM 0 H ALA A 29 -0.072 -5.194 6.874 1.00 0.00 H new ATOM 0 HA ALA A 29 1.859 -3.576 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.454 -5.022 6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.163 -5.982 7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.101 -5.629 5.876 1.00 0.00 H new ATOM 493 N PHE A 30 1.277 -2.862 4.969 1.00 0.00 N ATOM 494 CA PHE A 30 1.576 -1.878 3.922 1.00 0.00 C ATOM 495 C PHE A 30 1.319 -0.452 4.414 1.00 0.00 C ATOM 496 O PHE A 30 2.230 0.381 4.419 1.00 0.00 O ATOM 497 CB PHE A 30 0.728 -2.142 2.664 1.00 0.00 C ATOM 498 CG PHE A 30 1.450 -3.097 1.728 1.00 0.00 C ATOM 499 CD1 PHE A 30 2.739 -2.784 1.270 1.00 0.00 C ATOM 500 CD2 PHE A 30 0.830 -4.284 1.306 1.00 0.00 C ATOM 501 CE1 PHE A 30 3.405 -3.650 0.400 1.00 0.00 C ATOM 502 CE2 PHE A 30 1.500 -5.151 0.434 1.00 0.00 C ATOM 503 CZ PHE A 30 2.789 -4.834 -0.018 1.00 0.00 C ATOM 0 H PHE A 30 0.515 -3.503 4.748 1.00 0.00 H new ATOM 0 HA PHE A 30 2.632 -1.981 3.672 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.236 -2.562 2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.526 -1.202 2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.217 -1.871 1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.163 -4.528 1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.397 -3.405 0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.024 -6.064 0.109 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.306 -5.504 -0.689 1.00 0.00 H new ATOM 513 N ILE A 31 0.079 -0.173 4.820 1.00 0.00 N ATOM 514 CA ILE A 31 -0.275 1.161 5.305 1.00 0.00 C ATOM 515 C ILE A 31 0.541 1.518 6.558 1.00 0.00 C ATOM 516 O ILE A 31 0.894 2.684 6.754 1.00 0.00 O ATOM 517 CB ILE A 31 -1.798 1.254 5.549 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.512 1.178 4.176 1.00 0.00 C ATOM 519 CG2 ILE A 31 -2.146 2.579 6.252 1.00 0.00 C ATOM 520 CD1 ILE A 31 -4.041 1.237 4.324 1.00 0.00 C ATOM 0 H ILE A 31 -0.689 -0.845 4.823 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.022 1.898 4.542 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.124 0.435 6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.176 2.001 3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.231 0.254 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.222 2.631 6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.628 2.629 7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.834 3.416 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.504 1.181 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.380 0.399 4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.324 2.173 4.805 1.00 0.00 H new ATOM 532 N ARG A 32 0.862 0.517 7.383 1.00 0.00 N ATOM 533 CA ARG A 32 1.671 0.764 8.582 1.00 0.00 C ATOM 534 C ARG A 32 3.098 1.150 8.172 1.00 0.00 C ATOM 535 O ARG A 32 3.674 2.123 8.685 1.00 0.00 O ATOM 536 CB ARG A 32 1.699 -0.490 9.469 1.00 0.00 C ATOM 537 CG ARG A 32 2.417 -0.182 10.793 1.00 0.00 C ATOM 538 CD ARG A 32 2.466 -1.442 11.666 1.00 0.00 C ATOM 539 NE ARG A 32 3.039 -1.127 12.978 1.00 0.00 N ATOM 540 CZ ARG A 32 3.150 -2.045 13.943 1.00 0.00 C ATOM 541 NH1 ARG A 32 2.749 -3.272 13.746 1.00 0.00 N ATOM 542 NH2 ARG A 32 3.663 -1.712 15.092 1.00 0.00 N ATOM 0 H ARG A 32 0.581 -0.454 7.248 1.00 0.00 H new ATOM 0 HA ARG A 32 1.227 1.583 9.148 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.682 -0.828 9.667 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.209 -1.301 8.950 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.428 0.173 10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.897 0.617 11.321 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.462 -1.848 11.788 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.063 -2.210 11.175 1.00 0.00 H new ATOM 0 HE ARG A 32 3.363 -0.177 13.160 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.346 -3.539 12.848 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.839 -3.964 14.490 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.978 -0.755 15.252 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.750 -2.408 15.832 1.00 0.00 H new ATOM 556 N SER A 33 3.658 0.378 7.230 1.00 0.00 N ATOM 557 CA SER A 33 5.012 0.628 6.737 1.00 0.00 C ATOM 558 C SER A 33 5.090 1.969 6.006 1.00 0.00 C ATOM 559 O SER A 33 6.171 2.546 5.895 1.00 0.00 O ATOM 560 CB SER A 33 5.474 -0.513 5.818 1.00 0.00 C ATOM 561 OG SER A 33 4.692 -0.532 4.633 1.00 0.00 O ATOM 0 H SER A 33 3.193 -0.421 6.798 1.00 0.00 H new ATOM 0 HA SER A 33 5.680 0.671 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.527 -0.384 5.566 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.385 -1.467 6.337 1.00 0.00 H new ATOM 0 HG SER A 33 3.775 -0.256 4.842 1.00 0.00 H new ATOM 567 N LEU A 34 3.936 2.475 5.524 1.00 0.00 N ATOM 568 CA LEU A 34 3.892 3.776 4.825 1.00 0.00 C ATOM 569 C LEU A 34 4.397 4.878 5.764 1.00 0.00 C ATOM 570 O LEU A 34 5.256 5.679 5.398 1.00 0.00 O ATOM 571 CB LEU A 34 2.442 4.113 4.393 1.00 0.00 C ATOM 572 CG LEU A 34 2.303 4.279 2.866 1.00 0.00 C ATOM 573 CD1 LEU A 34 3.286 5.344 2.341 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.539 2.927 2.169 1.00 0.00 C ATOM 0 H LEU A 34 3.032 2.009 5.604 1.00 0.00 H new ATOM 0 HA LEU A 34 4.525 3.715 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.773 3.322 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.124 5.032 4.885 1.00 0.00 H new ATOM 0 HG LEU A 34 1.292 4.618 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.171 5.445 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.076 6.301 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.308 5.041 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.439 3.051 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.541 2.568 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.804 2.203 2.520 1.00 0.00 H new ATOM 586 N TYR A 35 3.857 4.877 6.986 1.00 0.00 N ATOM 587 CA TYR A 35 4.253 5.847 8.004 1.00 0.00 C ATOM 588 C TYR A 35 5.709 5.606 8.408 1.00 0.00 C ATOM 589 O TYR A 35 6.477 6.555 8.588 1.00 0.00 O ATOM 590 CB TYR A 35 3.337 5.720 9.232 1.00 0.00 C ATOM 591 CG TYR A 35 3.657 6.815 10.233 1.00 0.00 C ATOM 592 CD1 TYR A 35 3.075 8.084 10.095 1.00 0.00 C ATOM 593 CD2 TYR A 35 4.536 6.563 11.297 1.00 0.00 C ATOM 594 CE1 TYR A 35 3.370 9.094 11.018 1.00 0.00 C ATOM 595 CE2 TYR A 35 4.830 7.576 12.218 1.00 0.00 C ATOM 596 CZ TYR A 35 4.247 8.841 12.079 1.00 0.00 C ATOM 597 OH TYR A 35 4.538 9.838 12.987 1.00 0.00 O ATOM 0 H TYR A 35 3.145 4.214 7.292 1.00 0.00 H new ATOM 0 HA TYR A 35 4.159 6.854 7.597 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.293 5.789 8.926 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.469 4.742 9.695 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.399 8.282 9.276 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.986 5.587 11.406 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.920 10.070 10.911 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.507 7.381 13.036 1.00 0.00 H new ATOM 0 HH TYR A 35 5.162 9.495 13.660 1.00 0.00 H new ATOM 607 N ASP A 36 6.070 4.325 8.558 1.00 0.00 N ATOM 608 CA ASP A 36 7.433 3.951 8.949 1.00 0.00 C ATOM 609 C ASP A 36 8.460 4.393 7.894 1.00 0.00 C ATOM 610 O ASP A 36 9.575 4.794 8.239 1.00 0.00 O ATOM 611 CB ASP A 36 7.517 2.431 9.154 1.00 0.00 C ATOM 612 CG ASP A 36 8.757 2.078 9.980 1.00 0.00 C ATOM 613 OD1 ASP A 36 8.719 2.273 11.183 1.00 0.00 O ATOM 614 OD2 ASP A 36 9.727 1.618 9.398 1.00 0.00 O ATOM 0 H ASP A 36 5.441 3.535 8.415 1.00 0.00 H new ATOM 0 HA ASP A 36 7.669 4.461 9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.620 2.075 9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.559 1.928 8.188 1.00 0.00 H new ATOM 619 N ASP A 37 8.076 4.306 6.613 1.00 0.00 N ATOM 620 CA ASP A 37 8.960 4.688 5.501 1.00 0.00 C ATOM 621 C ASP A 37 8.131 5.256 4.332 1.00 0.00 C ATOM 622 O ASP A 37 7.865 4.552 3.349 1.00 0.00 O ATOM 623 CB ASP A 37 9.771 3.467 5.033 1.00 0.00 C ATOM 624 CG ASP A 37 10.729 3.007 6.136 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.635 3.759 6.460 1.00 0.00 O ATOM 626 OD2 ASP A 37 10.547 1.908 6.633 1.00 0.00 O ATOM 0 H ASP A 37 7.157 3.974 6.320 1.00 0.00 H new ATOM 0 HA ASP A 37 9.649 5.459 5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.095 2.654 4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.335 3.720 4.135 1.00 0.00 H new ATOM 631 N PRO A 38 7.705 6.503 4.426 1.00 0.00 N ATOM 632 CA PRO A 38 6.874 7.154 3.361 1.00 0.00 C ATOM 633 C PRO A 38 7.595 7.215 2.014 1.00 0.00 C ATOM 634 O PRO A 38 6.955 7.229 0.958 1.00 0.00 O ATOM 635 CB PRO A 38 6.593 8.563 3.909 1.00 0.00 C ATOM 636 CG PRO A 38 7.610 8.799 4.975 1.00 0.00 C ATOM 637 CD PRO A 38 7.970 7.431 5.544 1.00 0.00 C ATOM 0 HA PRO A 38 5.963 6.590 3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.673 9.312 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.582 8.631 4.312 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.492 9.293 4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.212 9.450 5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.013 7.391 5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.364 7.189 6.417 1.00 0.00 H new ATOM 645 N SER A 39 8.925 7.254 2.069 1.00 0.00 N ATOM 646 CA SER A 39 9.750 7.319 0.863 1.00 0.00 C ATOM 647 C SER A 39 9.502 6.121 -0.058 1.00 0.00 C ATOM 648 O SER A 39 9.656 6.237 -1.277 1.00 0.00 O ATOM 649 CB SER A 39 11.231 7.367 1.251 1.00 0.00 C ATOM 650 OG SER A 39 11.456 8.472 2.120 1.00 0.00 O ATOM 0 H SER A 39 9.457 7.242 2.939 1.00 0.00 H new ATOM 0 HA SER A 39 9.476 8.224 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.520 6.438 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.849 7.460 0.358 1.00 0.00 H new ATOM 0 HG SER A 39 12.403 8.503 2.371 1.00 0.00 H new ATOM 656 N GLN A 40 9.147 4.967 0.529 1.00 0.00 N ATOM 657 CA GLN A 40 8.916 3.748 -0.257 1.00 0.00 C ATOM 658 C GLN A 40 7.459 3.609 -0.717 1.00 0.00 C ATOM 659 O GLN A 40 7.107 2.579 -1.286 1.00 0.00 O ATOM 660 CB GLN A 40 9.298 2.509 0.573 1.00 0.00 C ATOM 661 CG GLN A 40 10.768 2.593 0.999 1.00 0.00 C ATOM 662 CD GLN A 40 11.202 1.290 1.666 1.00 0.00 C ATOM 663 OE1 GLN A 40 10.630 0.885 2.680 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.184 0.602 1.154 1.00 0.00 N ATOM 0 H GLN A 40 9.015 4.854 1.534 1.00 0.00 H new ATOM 0 HA GLN A 40 9.541 3.823 -1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.659 2.441 1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.132 1.604 -0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.395 2.791 0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.907 3.426 1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.658 0.936 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.478 -0.271 1.592 1.00 0.00 H new ATOM 673 N SER A 41 6.613 4.626 -0.472 1.00 0.00 N ATOM 674 CA SER A 41 5.189 4.551 -0.867 1.00 0.00 C ATOM 675 C SER A 41 5.022 4.017 -2.295 1.00 0.00 C ATOM 676 O SER A 41 4.098 3.244 -2.568 1.00 0.00 O ATOM 677 CB SER A 41 4.528 5.931 -0.762 1.00 0.00 C ATOM 678 OG SER A 41 3.144 5.824 -1.087 1.00 0.00 O ATOM 0 H SER A 41 6.881 5.496 -0.011 1.00 0.00 H new ATOM 0 HA SER A 41 4.702 3.857 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.646 6.326 0.247 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.018 6.632 -1.438 1.00 0.00 H new ATOM 0 HG SER A 41 2.723 6.706 -1.018 1.00 0.00 H new ATOM 684 N ALA A 42 5.927 4.419 -3.188 1.00 0.00 N ATOM 685 CA ALA A 42 5.879 3.960 -4.573 1.00 0.00 C ATOM 686 C ALA A 42 6.199 2.462 -4.649 1.00 0.00 C ATOM 687 O ALA A 42 5.498 1.699 -5.323 1.00 0.00 O ATOM 688 CB ALA A 42 6.886 4.748 -5.421 1.00 0.00 C ATOM 0 H ALA A 42 6.695 5.056 -2.978 1.00 0.00 H new ATOM 0 HA ALA A 42 4.874 4.126 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.844 4.400 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.639 5.809 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.891 4.596 -5.027 1.00 0.00 H new ATOM 694 N ASN A 43 7.264 2.056 -3.945 1.00 0.00 N ATOM 695 CA ASN A 43 7.685 0.652 -3.926 1.00 0.00 C ATOM 696 C ASN A 43 6.649 -0.221 -3.221 1.00 0.00 C ATOM 697 O ASN A 43 6.308 -1.291 -3.708 1.00 0.00 O ATOM 698 CB ASN A 43 9.026 0.503 -3.191 1.00 0.00 C ATOM 699 CG ASN A 43 10.144 1.284 -3.884 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.986 1.761 -5.011 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.281 1.432 -3.267 1.00 0.00 N ATOM 0 H ASN A 43 7.846 2.678 -3.384 1.00 0.00 H new ATOM 0 HA ASN A 43 7.789 0.329 -4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.919 0.855 -2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.297 -0.551 -3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.042 1.943 -3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.411 1.037 -2.335 1.00 0.00 H new ATOM 708 N LEU A 44 6.176 0.247 -2.063 1.00 0.00 N ATOM 709 CA LEU A 44 5.192 -0.493 -1.266 1.00 0.00 C ATOM 710 C LEU A 44 3.932 -0.785 -2.084 1.00 0.00 C ATOM 711 O LEU A 44 3.384 -1.891 -2.017 1.00 0.00 O ATOM 712 CB LEU A 44 4.814 0.321 -0.025 1.00 0.00 C ATOM 713 CG LEU A 44 6.041 0.554 0.894 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.639 1.447 2.077 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.566 -0.783 1.432 1.00 0.00 C ATOM 0 H LEU A 44 6.459 1.138 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 44 5.640 -1.441 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.399 1.281 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.035 -0.201 0.531 1.00 0.00 H new ATOM 0 HG LEU A 44 6.824 1.039 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.503 1.609 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.280 2.406 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.848 0.961 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.427 -0.603 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.782 -1.278 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.862 -1.419 0.598 1.00 0.00 H new ATOM 727 N LEU A 45 3.484 0.206 -2.861 1.00 0.00 N ATOM 728 CA LEU A 45 2.299 0.036 -3.706 1.00 0.00 C ATOM 729 C LEU A 45 2.564 -1.059 -4.740 1.00 0.00 C ATOM 730 O LEU A 45 1.765 -1.990 -4.900 1.00 0.00 O ATOM 731 CB LEU A 45 1.970 1.373 -4.395 1.00 0.00 C ATOM 732 CG LEU A 45 0.874 1.196 -5.471 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.418 0.664 -4.835 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.593 2.550 -6.140 1.00 0.00 C ATOM 0 H LEU A 45 3.920 1.126 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 45 1.445 -0.262 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.638 2.096 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.871 1.779 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 45 1.222 0.480 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.180 0.545 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.222 -0.300 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.770 1.369 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.180 2.427 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.254 3.263 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.505 2.921 -6.607 1.00 0.00 H new ATOM 746 N ALA A 46 3.709 -0.946 -5.413 1.00 0.00 N ATOM 747 CA ALA A 46 4.112 -1.939 -6.419 1.00 0.00 C ATOM 748 C ALA A 46 4.282 -3.306 -5.759 1.00 0.00 C ATOM 749 O ALA A 46 3.944 -4.339 -6.341 1.00 0.00 O ATOM 750 CB ALA A 46 5.431 -1.528 -7.071 1.00 0.00 C ATOM 0 H ALA A 46 4.373 -0.183 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 46 3.336 -1.994 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.717 -2.273 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.311 -0.559 -7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.207 -1.459 -6.309 1.00 0.00 H new ATOM 756 N GLU A 47 4.793 -3.289 -4.527 1.00 0.00 N ATOM 757 CA GLU A 47 4.991 -4.509 -3.754 1.00 0.00 C ATOM 758 C GLU A 47 3.643 -5.176 -3.502 1.00 0.00 C ATOM 759 O GLU A 47 3.543 -6.402 -3.478 1.00 0.00 O ATOM 760 CB GLU A 47 5.682 -4.175 -2.427 1.00 0.00 C ATOM 761 CG GLU A 47 7.203 -4.037 -2.637 1.00 0.00 C ATOM 762 CD GLU A 47 7.840 -5.408 -2.904 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.757 -6.263 -2.035 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.414 -5.581 -3.968 1.00 0.00 O ATOM 0 H GLU A 47 5.078 -2.437 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 47 5.625 -5.197 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.278 -3.247 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.478 -4.957 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.400 -3.369 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.657 -3.585 -1.756 1.00 0.00 H new ATOM 771 N ALA A 48 2.595 -4.354 -3.360 1.00 0.00 N ATOM 772 CA ALA A 48 1.245 -4.878 -3.168 1.00 0.00 C ATOM 773 C ALA A 48 0.826 -5.605 -4.443 1.00 0.00 C ATOM 774 O ALA A 48 0.255 -6.695 -4.393 1.00 0.00 O ATOM 775 CB ALA A 48 0.266 -3.738 -2.863 1.00 0.00 C ATOM 0 H ALA A 48 2.658 -3.336 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 48 1.233 -5.567 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.735 -4.146 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.579 -3.223 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.257 -3.033 -3.695 1.00 0.00 H new ATOM 781 N LYS A 49 1.157 -4.995 -5.587 1.00 0.00 N ATOM 782 CA LYS A 49 0.856 -5.589 -6.888 1.00 0.00 C ATOM 783 C LYS A 49 1.579 -6.928 -7.028 1.00 0.00 C ATOM 784 O LYS A 49 1.050 -7.866 -7.631 1.00 0.00 O ATOM 785 CB LYS A 49 1.288 -4.634 -8.019 1.00 0.00 C ATOM 786 CG LYS A 49 0.108 -3.744 -8.433 1.00 0.00 C ATOM 787 CD LYS A 49 -0.808 -4.514 -9.395 1.00 0.00 C ATOM 788 CE LYS A 49 -2.255 -4.022 -9.248 1.00 0.00 C ATOM 789 NZ LYS A 49 -3.031 -4.390 -10.468 1.00 0.00 N ATOM 0 H LYS A 49 1.632 -4.093 -5.635 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.219 -5.757 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.121 -4.016 -7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.640 -5.208 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.453 -3.434 -7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.475 -2.837 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.470 -4.375 -10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.755 -5.582 -9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.714 -4.466 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.271 -2.941 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.011 -4.057 -10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.597 -3.946 -11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.026 -5.424 -10.584 1.00 0.00 H new ATOM 803 N LYS A 50 2.787 -7.006 -6.460 1.00 0.00 N ATOM 804 CA LYS A 50 3.578 -8.230 -6.510 1.00 0.00 C ATOM 805 C LYS A 50 2.854 -9.352 -5.766 1.00 0.00 C ATOM 806 O LYS A 50 2.656 -10.441 -6.310 1.00 0.00 O ATOM 807 CB LYS A 50 4.946 -7.970 -5.872 1.00 0.00 C ATOM 808 CG LYS A 50 5.890 -9.150 -6.149 1.00 0.00 C ATOM 809 CD LYS A 50 7.308 -8.800 -5.670 1.00 0.00 C ATOM 810 CE LYS A 50 7.402 -8.924 -4.143 1.00 0.00 C ATOM 811 NZ LYS A 50 8.745 -8.458 -3.692 1.00 0.00 N ATOM 0 H LYS A 50 3.233 -6.236 -5.963 1.00 0.00 H new ATOM 0 HA LYS A 50 3.714 -8.535 -7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.374 -7.050 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.834 -7.828 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.532 -10.043 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.901 -9.377 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.032 -9.465 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.562 -7.785 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.620 -8.330 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.243 -9.959 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.800 -8.509 -2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.481 -9.064 -4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.892 -7.475 -3.999 1.00 0.00 H new ATOM 825 N LEU A 51 2.446 -9.064 -4.525 1.00 0.00 N ATOM 826 CA LEU A 51 1.724 -10.045 -3.709 1.00 0.00 C ATOM 827 C LEU A 51 0.386 -10.387 -4.363 1.00 0.00 C ATOM 828 O LEU A 51 -0.025 -11.551 -4.372 1.00 0.00 O ATOM 829 CB LEU A 51 1.505 -9.492 -2.292 1.00 0.00 C ATOM 830 CG LEU A 51 2.849 -9.405 -1.543 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.640 -8.724 -0.181 1.00 0.00 C ATOM 832 CD2 LEU A 51 3.425 -10.817 -1.327 1.00 0.00 C ATOM 0 H LEU A 51 2.602 -8.166 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 51 2.319 -10.956 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.045 -8.505 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.816 -10.135 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 51 3.549 -8.820 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.592 -8.664 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.246 -7.719 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.933 -9.305 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.375 -10.745 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.725 -11.409 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.584 -11.297 -2.293 1.00 0.00 H new ATOM 844 N ASN A 52 -0.278 -9.367 -4.925 1.00 0.00 N ATOM 845 CA ASN A 52 -1.564 -9.562 -5.608 1.00 0.00 C ATOM 846 C ASN A 52 -1.409 -10.594 -6.718 1.00 0.00 C ATOM 847 O ASN A 52 -2.198 -11.534 -6.822 1.00 0.00 O ATOM 848 CB ASN A 52 -2.037 -8.228 -6.209 1.00 0.00 C ATOM 849 CG ASN A 52 -3.426 -8.376 -6.832 1.00 0.00 C ATOM 850 OD1 ASN A 52 -4.454 -8.597 -6.065 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -3.574 -8.294 -8.051 1.00 0.00 N flip ATOM 0 H ASN A 52 0.053 -8.402 -4.920 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.301 -9.917 -4.888 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.061 -7.463 -5.433 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.328 -7.893 -6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.768 -8.121 -8.652 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.502 -8.399 -8.460 1.00 0.00 H new ATOM 858 N ASP A 53 -0.365 -10.411 -7.520 1.00 0.00 N ATOM 859 CA ASP A 53 -0.069 -11.327 -8.615 1.00 0.00 C ATOM 860 C ASP A 53 0.342 -12.692 -8.070 1.00 0.00 C ATOM 861 O ASP A 53 0.113 -13.721 -8.711 1.00 0.00 O ATOM 862 CB ASP A 53 1.060 -10.748 -9.474 1.00 0.00 C ATOM 863 CG ASP A 53 1.318 -11.631 -10.700 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.610 -11.471 -11.681 1.00 0.00 O ATOM 865 OD2 ASP A 53 2.217 -12.455 -10.637 1.00 0.00 O ATOM 0 H ASP A 53 0.291 -9.635 -7.432 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.964 -11.451 -9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.798 -9.740 -9.795 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.970 -10.667 -8.880 1.00 0.00 H new ATOM 870 N ALA A 54 0.987 -12.683 -6.900 1.00 0.00 N ATOM 871 CA ALA A 54 1.473 -13.914 -6.290 1.00 0.00 C ATOM 872 C ALA A 54 0.339 -14.839 -5.844 1.00 0.00 C ATOM 873 O ALA A 54 0.331 -16.024 -6.187 1.00 0.00 O ATOM 874 CB ALA A 54 2.339 -13.579 -5.068 1.00 0.00 C ATOM 0 H ALA A 54 1.182 -11.839 -6.362 1.00 0.00 H new ATOM 0 HA ALA A 54 2.054 -14.435 -7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.701 -14.502 -4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.188 -12.971 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.744 -13.026 -4.341 1.00 0.00 H new ATOM 880 N GLN A 55 -0.594 -14.302 -5.049 1.00 0.00 N ATOM 881 CA GLN A 55 -1.705 -15.101 -4.523 1.00 0.00 C ATOM 882 C GLN A 55 -2.847 -15.283 -5.529 1.00 0.00 C ATOM 883 O GLN A 55 -3.597 -16.258 -5.434 1.00 0.00 O ATOM 884 CB GLN A 55 -2.234 -14.447 -3.247 1.00 0.00 C ATOM 885 CG GLN A 55 -1.166 -14.520 -2.144 1.00 0.00 C ATOM 886 CD GLN A 55 -1.637 -13.747 -0.918 1.00 0.00 C ATOM 887 OE1 GLN A 55 -2.773 -13.114 -0.965 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -0.952 -13.716 0.104 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.602 -13.324 -4.758 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.316 -16.097 -4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.498 -13.408 -3.442 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.144 -14.950 -2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.975 -15.560 -1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.226 -14.106 -2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.062 -14.214 0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.274 -13.193 0.918 1.00 0.00 H new ATOM 897 N ALA A 56 -2.995 -14.339 -6.469 1.00 0.00 N ATOM 898 CA ALA A 56 -4.077 -14.410 -7.465 1.00 0.00 C ATOM 899 C ALA A 56 -4.042 -15.738 -8.243 1.00 0.00 C ATOM 900 O ALA A 56 -2.996 -16.388 -8.304 1.00 0.00 O ATOM 901 CB ALA A 56 -3.970 -13.236 -8.445 1.00 0.00 C ATOM 0 H ALA A 56 -2.387 -13.525 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.024 -14.354 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.775 -13.299 -9.177 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.049 -12.297 -7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.009 -13.277 -8.958 1.00 0.00 H new ATOM 907 N PRO A 57 -5.165 -16.148 -8.815 1.00 0.00 N ATOM 908 CA PRO A 57 -5.266 -17.426 -9.593 1.00 0.00 C ATOM 909 C PRO A 57 -4.189 -17.540 -10.671 1.00 0.00 C ATOM 910 O PRO A 57 -3.614 -16.533 -11.094 1.00 0.00 O ATOM 911 CB PRO A 57 -6.663 -17.369 -10.224 1.00 0.00 C ATOM 912 CG PRO A 57 -7.452 -16.457 -9.346 1.00 0.00 C ATOM 913 CD PRO A 57 -6.465 -15.440 -8.780 1.00 0.00 C ATOM 0 HA PRO A 57 -5.118 -18.297 -8.954 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.619 -16.991 -11.245 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.115 -18.360 -10.270 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.240 -15.960 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.938 -17.014 -8.545 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.441 -14.530 -9.380 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.732 -15.146 -7.765 1.00 0.00 H new ATOM 921 N LYS A 58 -3.928 -18.778 -11.101 1.00 0.00 N ATOM 922 CA LYS A 58 -2.919 -19.053 -12.137 1.00 0.00 C ATOM 923 C LYS A 58 -1.514 -18.573 -11.705 1.00 0.00 C ATOM 924 O LYS A 58 -1.329 -18.286 -10.530 1.00 0.00 O ATOM 925 CB LYS A 58 -3.338 -18.382 -13.463 1.00 0.00 C ATOM 926 CG LYS A 58 -4.684 -18.956 -13.941 1.00 0.00 C ATOM 927 CD LYS A 58 -5.021 -18.428 -15.346 1.00 0.00 C ATOM 928 CE LYS A 58 -5.368 -16.934 -15.283 1.00 0.00 C ATOM 929 NZ LYS A 58 -5.718 -16.452 -16.651 1.00 0.00 N ATOM 930 OXT LYS A 58 -0.634 -18.520 -12.554 1.00 0.00 O ATOM 0 H LYS A 58 -4.401 -19.610 -10.749 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.863 -20.132 -12.281 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.422 -17.304 -13.324 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.573 -18.547 -14.221 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.638 -20.045 -13.956 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.474 -18.680 -13.242 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.174 -18.584 -16.014 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.860 -18.986 -15.760 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.204 -16.771 -14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.523 -16.369 -14.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.954 -15.440 -16.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.908 -16.595 -17.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.537 -16.985 -17.008 1.00 0.00 H new