USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 387 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 42 ASN : amide:sc= -0.163 K(o=-0.16,f=-9.5!) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 15 TYR OH : rot 94:sc= -0.843! USER MOD Set 2.2: A 40 TYR OH : rot 172:sc= -0.0662 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.0523 USER MOD Set 3.2: A 29 THR OG1 : rot -120:sc= 0.239 USER MOD Set 3.3: A 58 TYR OH : rot 38:sc= 0.257 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00405 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -69:sc= 1.23 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -30:sc= 0.0206 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 103:sc= 0.00309 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0709 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0818 F(o=-1.7!,f=-0.082) USER MOD Single : A 37 SER OG : rot 96:sc= 1.21 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.0115 F(o=-1.4!,f=-0.012) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0017 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.5) USER MOD Single : A 48 TYR OH : rot 180:sc= 0.00332 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 0.388 (180deg=-0.0498) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 8 -11.239 -5.288 -0.366 1.00 0.00 N ATOM 102 CA ALA A 8 -11.530 -5.315 1.057 1.00 0.00 C ATOM 103 C ALA A 8 -10.397 -4.678 1.845 1.00 0.00 C ATOM 104 O ALA A 8 -9.405 -4.231 1.263 1.00 0.00 O ATOM 105 CB ALA A 8 -11.767 -6.742 1.522 1.00 0.00 C ATOM 0 HA ALA A 8 -12.438 -4.739 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.984 -6.745 2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.612 -7.166 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.876 -7.340 1.331 1.00 0.00 H new ATOM 111 N VAL A 9 -10.545 -4.631 3.163 1.00 0.00 N ATOM 112 CA VAL A 9 -9.510 -4.080 4.024 1.00 0.00 C ATOM 113 C VAL A 9 -8.242 -4.937 3.958 1.00 0.00 C ATOM 114 O VAL A 9 -8.245 -6.113 4.334 1.00 0.00 O ATOM 115 CB VAL A 9 -9.999 -3.937 5.482 1.00 0.00 C ATOM 116 CG1 VAL A 9 -10.987 -2.790 5.595 1.00 0.00 C ATOM 117 CG2 VAL A 9 -10.637 -5.224 5.976 1.00 0.00 C ATOM 0 H VAL A 9 -11.371 -4.968 3.657 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.273 -3.081 3.659 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.132 -3.725 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.324 -2.700 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.504 -1.862 5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.844 -2.983 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.971 -5.093 7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.491 -5.472 5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.907 -6.032 5.932 1.00 0.00 H new ATOM 127 N PRO A 10 -7.152 -4.347 3.446 1.00 0.00 N ATOM 128 CA PRO A 10 -5.907 -5.065 3.154 1.00 0.00 C ATOM 129 C PRO A 10 -5.218 -5.639 4.385 1.00 0.00 C ATOM 130 O PRO A 10 -5.042 -4.963 5.404 1.00 0.00 O ATOM 131 CB PRO A 10 -5.022 -4.009 2.489 1.00 0.00 C ATOM 132 CG PRO A 10 -5.586 -2.698 2.907 1.00 0.00 C ATOM 133 CD PRO A 10 -7.055 -2.919 3.106 1.00 0.00 C ATOM 0 HA PRO A 10 -6.105 -5.938 2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.984 -4.109 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.034 -4.113 1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.117 -2.348 3.827 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.406 -1.937 2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.450 -2.290 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.621 -2.683 2.205 1.00 0.00 H new ATOM 141 N ASP A 11 -4.832 -6.900 4.268 1.00 0.00 N ATOM 142 CA ASP A 11 -4.063 -7.578 5.292 1.00 0.00 C ATOM 143 C ASP A 11 -2.605 -7.607 4.878 1.00 0.00 C ATOM 144 O ASP A 11 -2.259 -8.188 3.847 1.00 0.00 O ATOM 145 CB ASP A 11 -4.550 -9.014 5.495 1.00 0.00 C ATOM 146 CG ASP A 11 -6.010 -9.103 5.881 1.00 0.00 C ATOM 147 OD1 ASP A 11 -6.803 -9.626 5.074 1.00 0.00 O ATOM 148 OD2 ASP A 11 -6.369 -8.660 6.990 1.00 0.00 O ATOM 0 H ASP A 11 -5.045 -7.481 3.457 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.188 -7.036 6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.390 -9.578 4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.947 -9.488 6.269 1.00 0.00 H new ATOM 153 N THR A 12 -1.752 -7.006 5.683 1.00 0.00 N ATOM 154 CA THR A 12 -0.345 -6.877 5.348 1.00 0.00 C ATOM 155 C THR A 12 0.376 -8.227 5.394 1.00 0.00 C ATOM 156 O THR A 12 1.506 -8.356 4.927 1.00 0.00 O ATOM 157 CB THR A 12 0.334 -5.857 6.280 1.00 0.00 C ATOM 158 OG1 THR A 12 0.032 -6.163 7.649 1.00 0.00 O ATOM 159 CG2 THR A 12 -0.146 -4.450 5.953 1.00 0.00 C ATOM 0 H THR A 12 -2.010 -6.596 6.581 1.00 0.00 H new ATOM 0 HA THR A 12 -0.278 -6.513 4.323 1.00 0.00 H new ATOM 0 HB THR A 12 1.412 -5.911 6.131 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.470 -5.510 8.234 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.340 -3.736 6.618 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.104 -4.211 4.919 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.226 -4.394 6.088 1.00 0.00 H new ATOM 167 N SER A 13 -0.299 -9.236 5.935 1.00 0.00 N ATOM 168 CA SER A 13 0.227 -10.595 5.962 1.00 0.00 C ATOM 169 C SER A 13 0.261 -11.196 4.555 1.00 0.00 C ATOM 170 O SER A 13 0.973 -12.167 4.300 1.00 0.00 O ATOM 171 CB SER A 13 -0.626 -11.465 6.898 1.00 0.00 C ATOM 172 OG SER A 13 -0.160 -12.806 6.950 1.00 0.00 O ATOM 0 H SER A 13 -1.219 -9.136 6.364 1.00 0.00 H new ATOM 0 HA SER A 13 1.250 -10.565 6.338 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.614 -11.038 7.901 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.662 -11.454 6.559 1.00 0.00 H new ATOM 0 HG SER A 13 -0.727 -13.326 7.557 1.00 0.00 H new ATOM 178 N THR A 14 -0.498 -10.612 3.636 1.00 0.00 N ATOM 179 CA THR A 14 -0.536 -11.114 2.268 1.00 0.00 C ATOM 180 C THR A 14 0.429 -10.338 1.377 1.00 0.00 C ATOM 181 O THR A 14 0.434 -10.502 0.156 1.00 0.00 O ATOM 182 CB THR A 14 -1.958 -11.045 1.672 1.00 0.00 C ATOM 183 OG1 THR A 14 -2.440 -9.695 1.675 1.00 0.00 O ATOM 184 CG2 THR A 14 -2.918 -11.929 2.455 1.00 0.00 C ATOM 0 H THR A 14 -1.089 -9.799 3.810 1.00 0.00 H new ATOM 0 HA THR A 14 -0.230 -12.160 2.305 1.00 0.00 H new ATOM 0 HB THR A 14 -1.906 -11.405 0.644 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.606 -9.409 2.598 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.913 -11.863 2.016 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.573 -12.962 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.956 -11.595 3.492 1.00 0.00 H new ATOM 192 N TYR A 15 1.255 -9.505 1.997 1.00 0.00 N ATOM 193 CA TYR A 15 2.187 -8.664 1.260 1.00 0.00 C ATOM 194 C TYR A 15 3.526 -9.355 1.081 1.00 0.00 C ATOM 195 O TYR A 15 3.828 -10.341 1.750 1.00 0.00 O ATOM 196 CB TYR A 15 2.409 -7.333 1.980 1.00 0.00 C ATOM 197 CG TYR A 15 1.214 -6.407 1.963 1.00 0.00 C ATOM 198 CD1 TYR A 15 1.317 -5.115 2.456 1.00 0.00 C ATOM 199 CD2 TYR A 15 -0.011 -6.819 1.454 1.00 0.00 C ATOM 200 CE1 TYR A 15 0.235 -4.261 2.442 1.00 0.00 C ATOM 201 CE2 TYR A 15 -1.097 -5.970 1.438 1.00 0.00 C ATOM 202 CZ TYR A 15 -0.968 -4.693 1.934 1.00 0.00 C ATOM 203 OH TYR A 15 -2.042 -3.842 1.913 1.00 0.00 O ATOM 0 H TYR A 15 1.298 -9.394 3.010 1.00 0.00 H new ATOM 0 HA TYR A 15 1.746 -8.478 0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.682 -7.535 3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.256 -6.822 1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.259 -4.773 2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.114 -7.821 1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.331 -3.257 2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.043 -6.305 1.039 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.082 -3.388 1.046 1.00 0.00 H new ATOM 213 N GLN A 16 4.318 -8.824 0.169 1.00 0.00 N ATOM 214 CA GLN A 16 5.665 -9.320 -0.063 1.00 0.00 C ATOM 215 C GLN A 16 6.672 -8.226 0.245 1.00 0.00 C ATOM 216 O GLN A 16 6.821 -7.293 -0.539 1.00 0.00 O ATOM 217 CB GLN A 16 5.843 -9.743 -1.520 1.00 0.00 C ATOM 218 CG GLN A 16 4.867 -10.797 -2.009 1.00 0.00 C ATOM 219 CD GLN A 16 5.117 -11.150 -3.461 1.00 0.00 C ATOM 220 OE1 GLN A 16 6.245 -11.062 -3.944 1.00 0.00 O ATOM 221 NE2 GLN A 16 4.077 -11.554 -4.167 1.00 0.00 N ATOM 0 H GLN A 16 4.050 -8.042 -0.429 1.00 0.00 H new ATOM 0 HA GLN A 16 5.826 -10.181 0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.747 -8.860 -2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.857 -10.121 -1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.958 -11.693 -1.394 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.846 -10.432 -1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.157 -11.614 -3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.194 -11.806 -5.148 1.00 0.00 H new ATOM 230 N TYR A 17 7.356 -8.322 1.375 1.00 0.00 N ATOM 231 CA TYR A 17 8.327 -7.300 1.735 1.00 0.00 C ATOM 232 C TYR A 17 9.452 -7.247 0.711 1.00 0.00 C ATOM 233 O TYR A 17 10.229 -8.193 0.568 1.00 0.00 O ATOM 234 CB TYR A 17 8.906 -7.530 3.133 1.00 0.00 C ATOM 235 CG TYR A 17 9.818 -6.407 3.578 1.00 0.00 C ATOM 236 CD1 TYR A 17 9.310 -5.137 3.815 1.00 0.00 C ATOM 237 CD2 TYR A 17 11.180 -6.611 3.750 1.00 0.00 C ATOM 238 CE1 TYR A 17 10.132 -4.101 4.212 1.00 0.00 C ATOM 239 CE2 TYR A 17 12.010 -5.579 4.149 1.00 0.00 C ATOM 240 CZ TYR A 17 11.481 -4.326 4.376 1.00 0.00 C ATOM 241 OH TYR A 17 12.303 -3.294 4.772 1.00 0.00 O ATOM 0 H TYR A 17 7.260 -9.083 2.048 1.00 0.00 H new ATOM 0 HA TYR A 17 7.802 -6.345 1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.090 -7.635 3.848 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.460 -8.469 3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.253 -4.956 3.687 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.598 -7.590 3.570 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.719 -3.119 4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 17 13.067 -5.754 4.282 1.00 0.00 H new ATOM 0 HH TYR A 17 13.225 -3.619 4.842 1.00 0.00 H new ATOM 251 N ASP A 18 9.518 -6.141 -0.008 1.00 0.00 N ATOM 252 CA ASP A 18 10.559 -5.934 -0.992 1.00 0.00 C ATOM 253 C ASP A 18 11.760 -5.307 -0.308 1.00 0.00 C ATOM 254 O ASP A 18 11.808 -4.095 -0.115 1.00 0.00 O ATOM 255 CB ASP A 18 10.064 -5.020 -2.115 1.00 0.00 C ATOM 256 CG ASP A 18 10.953 -5.068 -3.343 1.00 0.00 C ATOM 257 OD1 ASP A 18 10.438 -5.353 -4.446 1.00 0.00 O ATOM 258 OD2 ASP A 18 12.173 -4.834 -3.213 1.00 0.00 O ATOM 0 H ASP A 18 8.857 -5.369 0.074 1.00 0.00 H new ATOM 0 HA ASP A 18 10.837 -6.893 -1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.051 -5.309 -2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.013 -3.995 -1.748 1.00 0.00 H new ATOM 263 N GLU A 19 12.716 -6.136 0.072 1.00 0.00 N ATOM 264 CA GLU A 19 13.878 -5.680 0.823 1.00 0.00 C ATOM 265 C GLU A 19 14.778 -4.801 -0.031 1.00 0.00 C ATOM 266 O GLU A 19 15.607 -4.052 0.483 1.00 0.00 O ATOM 267 CB GLU A 19 14.658 -6.879 1.349 1.00 0.00 C ATOM 268 CG GLU A 19 15.239 -7.770 0.264 1.00 0.00 C ATOM 269 CD GLU A 19 16.001 -8.948 0.835 1.00 0.00 C ATOM 270 OE1 GLU A 19 15.411 -10.043 0.963 1.00 0.00 O ATOM 271 OE2 GLU A 19 17.193 -8.784 1.167 1.00 0.00 O ATOM 0 H GLU A 19 12.712 -7.136 -0.128 1.00 0.00 H new ATOM 0 HA GLU A 19 13.527 -5.081 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.470 -6.521 1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.001 -7.477 1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.434 -8.135 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.904 -7.182 -0.369 1.00 0.00 H new ATOM 278 N SER A 20 14.600 -4.897 -1.332 1.00 0.00 N ATOM 279 CA SER A 20 15.383 -4.117 -2.264 1.00 0.00 C ATOM 280 C SER A 20 14.740 -2.749 -2.484 1.00 0.00 C ATOM 281 O SER A 20 15.370 -1.834 -3.009 1.00 0.00 O ATOM 282 CB SER A 20 15.516 -4.884 -3.584 1.00 0.00 C ATOM 283 OG SER A 20 16.446 -4.264 -4.459 1.00 0.00 O ATOM 0 H SER A 20 13.914 -5.513 -1.769 1.00 0.00 H new ATOM 0 HA SER A 20 16.379 -3.953 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.834 -5.907 -3.380 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.542 -4.943 -4.070 1.00 0.00 H new ATOM 0 HG SER A 20 16.458 -3.298 -4.293 1.00 0.00 H new ATOM 289 N SER A 21 13.485 -2.609 -2.077 1.00 0.00 N ATOM 290 CA SER A 21 12.793 -1.332 -2.189 1.00 0.00 C ATOM 291 C SER A 21 12.597 -0.708 -0.808 1.00 0.00 C ATOM 292 O SER A 21 12.586 0.516 -0.657 1.00 0.00 O ATOM 293 CB SER A 21 11.442 -1.523 -2.888 1.00 0.00 C ATOM 294 OG SER A 21 10.744 -0.295 -3.024 1.00 0.00 O ATOM 0 H SER A 21 12.928 -3.360 -1.669 1.00 0.00 H new ATOM 0 HA SER A 21 13.403 -0.656 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.601 -1.963 -3.873 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.834 -2.226 -2.319 1.00 0.00 H new ATOM 0 HG SER A 21 9.888 -0.453 -3.475 1.00 0.00 H new ATOM 300 N GLY A 22 12.461 -1.562 0.199 1.00 0.00 N ATOM 301 CA GLY A 22 12.307 -1.096 1.564 1.00 0.00 C ATOM 302 C GLY A 22 10.852 -0.969 1.969 1.00 0.00 C ATOM 303 O GLY A 22 10.534 -0.402 3.015 1.00 0.00 O ATOM 0 H GLY A 22 12.455 -2.576 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.811 -1.787 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.798 -0.129 1.673 1.00 0.00 H new ATOM 307 N TYR A 23 9.967 -1.503 1.140 1.00 0.00 N ATOM 308 CA TYR A 23 8.534 -1.408 1.382 1.00 0.00 C ATOM 309 C TYR A 23 7.867 -2.761 1.186 1.00 0.00 C ATOM 310 O TYR A 23 8.407 -3.639 0.512 1.00 0.00 O ATOM 311 CB TYR A 23 7.897 -0.389 0.433 1.00 0.00 C ATOM 312 CG TYR A 23 8.455 1.009 0.561 1.00 0.00 C ATOM 313 CD1 TYR A 23 9.147 1.602 -0.488 1.00 0.00 C ATOM 314 CD2 TYR A 23 8.292 1.735 1.731 1.00 0.00 C ATOM 315 CE1 TYR A 23 9.660 2.879 -0.371 1.00 0.00 C ATOM 316 CE2 TYR A 23 8.801 3.012 1.855 1.00 0.00 C ATOM 317 CZ TYR A 23 9.483 3.578 0.804 1.00 0.00 C ATOM 318 OH TYR A 23 9.992 4.848 0.930 1.00 0.00 O ATOM 0 H TYR A 23 10.217 -2.009 0.290 1.00 0.00 H new ATOM 0 HA TYR A 23 8.388 -1.082 2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.033 -0.730 -0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.823 -0.358 0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.286 1.056 -1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.758 1.294 2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.196 3.327 -1.195 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.664 3.564 2.773 1.00 0.00 H new ATOM 0 HH TYR A 23 9.267 5.501 0.840 1.00 0.00 H new ATOM 328 N TYR A 24 6.699 -2.925 1.787 1.00 0.00 N ATOM 329 CA TYR A 24 5.900 -4.126 1.588 1.00 0.00 C ATOM 330 C TYR A 24 5.156 -4.040 0.267 1.00 0.00 C ATOM 331 O TYR A 24 4.345 -3.153 0.074 1.00 0.00 O ATOM 332 CB TYR A 24 4.896 -4.306 2.728 1.00 0.00 C ATOM 333 CG TYR A 24 5.505 -4.806 4.018 1.00 0.00 C ATOM 334 CD1 TYR A 24 5.943 -3.925 5.000 1.00 0.00 C ATOM 335 CD2 TYR A 24 5.631 -6.167 4.253 1.00 0.00 C ATOM 336 CE1 TYR A 24 6.491 -4.393 6.181 1.00 0.00 C ATOM 337 CE2 TYR A 24 6.177 -6.641 5.427 1.00 0.00 C ATOM 338 CZ TYR A 24 6.605 -5.751 6.388 1.00 0.00 C ATOM 339 OH TYR A 24 7.151 -6.223 7.562 1.00 0.00 O ATOM 0 H TYR A 24 6.282 -2.241 2.418 1.00 0.00 H new ATOM 0 HA TYR A 24 6.572 -4.984 1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.404 -3.352 2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.123 -5.005 2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.854 -2.861 4.839 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.295 -6.868 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.828 -3.698 6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.269 -7.704 5.593 1.00 0.00 H new ATOM 0 HH TYR A 24 7.157 -7.203 7.549 1.00 0.00 H new ATOM 349 N TYR A 25 5.439 -4.947 -0.642 1.00 0.00 N ATOM 350 CA TYR A 25 4.768 -4.947 -1.928 1.00 0.00 C ATOM 351 C TYR A 25 3.363 -5.510 -1.796 1.00 0.00 C ATOM 352 O TYR A 25 3.175 -6.640 -1.335 1.00 0.00 O ATOM 353 CB TYR A 25 5.562 -5.750 -2.960 1.00 0.00 C ATOM 354 CG TYR A 25 4.840 -5.913 -4.280 1.00 0.00 C ATOM 355 CD1 TYR A 25 4.604 -4.821 -5.103 1.00 0.00 C ATOM 356 CD2 TYR A 25 4.391 -7.160 -4.698 1.00 0.00 C ATOM 357 CE1 TYR A 25 3.940 -4.965 -6.306 1.00 0.00 C ATOM 358 CE2 TYR A 25 3.726 -7.314 -5.900 1.00 0.00 C ATOM 359 CZ TYR A 25 3.503 -6.213 -6.700 1.00 0.00 C ATOM 360 OH TYR A 25 2.838 -6.361 -7.894 1.00 0.00 O ATOM 0 H TYR A 25 6.125 -5.691 -0.518 1.00 0.00 H new ATOM 0 HA TYR A 25 4.702 -3.915 -2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.518 -5.257 -3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.782 -6.736 -2.551 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.945 -3.843 -4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.565 -8.024 -4.073 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.764 -4.105 -6.935 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.383 -8.290 -6.211 1.00 0.00 H new ATOM 0 HH TYR A 25 2.600 -7.303 -8.021 1.00 0.00 H new ATOM 370 N ASP A 26 2.392 -4.699 -2.183 1.00 0.00 N ATOM 371 CA ASP A 26 0.999 -5.114 -2.248 1.00 0.00 C ATOM 372 C ASP A 26 0.744 -5.822 -3.568 1.00 0.00 C ATOM 373 O ASP A 26 0.607 -5.165 -4.602 1.00 0.00 O ATOM 374 CB ASP A 26 0.053 -3.905 -2.173 1.00 0.00 C ATOM 375 CG ASP A 26 0.177 -3.086 -0.905 1.00 0.00 C ATOM 376 OD1 ASP A 26 1.304 -2.684 -0.553 1.00 0.00 O ATOM 377 OD2 ASP A 26 -0.868 -2.811 -0.284 1.00 0.00 O ATOM 0 H ASP A 26 2.548 -3.730 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 26 0.809 -5.775 -1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.244 -3.257 -3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.974 -4.258 -2.263 1.00 0.00 H new ATOM 382 N PRO A 27 0.659 -7.159 -3.566 1.00 0.00 N ATOM 383 CA PRO A 27 0.440 -7.936 -4.783 1.00 0.00 C ATOM 384 C PRO A 27 -1.021 -7.899 -5.196 1.00 0.00 C ATOM 385 O PRO A 27 -1.381 -8.235 -6.323 1.00 0.00 O ATOM 386 CB PRO A 27 0.856 -9.363 -4.391 1.00 0.00 C ATOM 387 CG PRO A 27 1.338 -9.280 -2.975 1.00 0.00 C ATOM 388 CD PRO A 27 0.752 -8.026 -2.394 1.00 0.00 C ATOM 0 HA PRO A 27 1.003 -7.549 -5.632 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.015 -10.052 -4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.641 -9.735 -5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.022 -10.155 -2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.427 -9.252 -2.938 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.223 -8.204 -1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.390 -7.598 -1.621 1.00 0.00 H new ATOM 396 N THR A 28 -1.852 -7.472 -4.262 1.00 0.00 N ATOM 397 CA THR A 28 -3.284 -7.389 -4.468 1.00 0.00 C ATOM 398 C THR A 28 -3.660 -6.198 -5.346 1.00 0.00 C ATOM 399 O THR A 28 -4.414 -6.340 -6.309 1.00 0.00 O ATOM 400 CB THR A 28 -4.000 -7.276 -3.113 1.00 0.00 C ATOM 401 OG1 THR A 28 -3.269 -6.379 -2.264 1.00 0.00 O ATOM 402 CG2 THR A 28 -4.118 -8.638 -2.446 1.00 0.00 C ATOM 0 H THR A 28 -1.549 -7.172 -3.335 1.00 0.00 H new ATOM 0 HA THR A 28 -3.599 -8.298 -4.980 1.00 0.00 H new ATOM 0 HB THR A 28 -5.006 -6.891 -3.279 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.724 -6.303 -1.399 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.628 -8.531 -1.489 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.688 -9.309 -3.088 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.122 -9.051 -2.282 1.00 0.00 H new ATOM 410 N THR A 29 -3.133 -5.028 -5.012 1.00 0.00 N ATOM 411 CA THR A 29 -3.463 -3.813 -5.741 1.00 0.00 C ATOM 412 C THR A 29 -2.312 -3.359 -6.648 1.00 0.00 C ATOM 413 O THR A 29 -2.532 -2.739 -7.690 1.00 0.00 O ATOM 414 CB THR A 29 -3.832 -2.672 -4.768 1.00 0.00 C ATOM 415 OG1 THR A 29 -4.732 -3.162 -3.762 1.00 0.00 O ATOM 416 CG2 THR A 29 -4.488 -1.514 -5.511 1.00 0.00 C ATOM 0 H THR A 29 -2.477 -4.895 -4.243 1.00 0.00 H new ATOM 0 HA THR A 29 -4.323 -4.045 -6.370 1.00 0.00 H new ATOM 0 HB THR A 29 -2.915 -2.313 -4.301 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.572 -2.660 -3.802 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.738 -0.723 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.799 -1.126 -6.261 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.397 -1.864 -6.001 1.00 0.00 H new ATOM 424 N GLY A 30 -1.086 -3.690 -6.254 1.00 0.00 N ATOM 425 CA GLY A 30 0.081 -3.248 -6.995 1.00 0.00 C ATOM 426 C GLY A 30 0.699 -2.009 -6.379 1.00 0.00 C ATOM 427 O GLY A 30 1.120 -1.095 -7.086 1.00 0.00 O ATOM 0 H GLY A 30 -0.880 -4.258 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.820 -4.049 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.201 -3.040 -8.027 1.00 0.00 H new ATOM 431 N LEU A 31 0.762 -1.992 -5.056 1.00 0.00 N ATOM 432 CA LEU A 31 1.235 -0.827 -4.315 1.00 0.00 C ATOM 433 C LEU A 31 2.373 -1.221 -3.390 1.00 0.00 C ATOM 434 O LEU A 31 2.909 -2.324 -3.491 1.00 0.00 O ATOM 435 CB LEU A 31 0.085 -0.216 -3.501 1.00 0.00 C ATOM 436 CG LEU A 31 -1.069 0.363 -4.326 1.00 0.00 C ATOM 437 CD1 LEU A 31 -2.129 0.953 -3.411 1.00 0.00 C ATOM 438 CD2 LEU A 31 -0.561 1.421 -5.298 1.00 0.00 C ATOM 0 H LEU A 31 0.489 -2.779 -4.467 1.00 0.00 H new ATOM 0 HA LEU A 31 1.599 -0.085 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.314 -0.982 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.490 0.574 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.516 -0.446 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.942 1.360 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.517 0.174 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.689 1.748 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.397 1.818 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.087 2.229 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.165 0.973 -5.976 1.00 0.00 H new ATOM 450 N TYR A 32 2.768 -0.301 -2.527 1.00 0.00 N ATOM 451 CA TYR A 32 3.765 -0.580 -1.515 1.00 0.00 C ATOM 452 C TYR A 32 3.343 0.020 -0.181 1.00 0.00 C ATOM 453 O TYR A 32 3.087 1.213 -0.086 1.00 0.00 O ATOM 454 CB TYR A 32 5.119 0.002 -1.932 1.00 0.00 C ATOM 455 CG TYR A 32 5.857 -0.827 -2.960 1.00 0.00 C ATOM 456 CD1 TYR A 32 6.716 -1.845 -2.568 1.00 0.00 C ATOM 457 CD2 TYR A 32 5.698 -0.588 -4.317 1.00 0.00 C ATOM 458 CE1 TYR A 32 7.397 -2.601 -3.500 1.00 0.00 C ATOM 459 CE2 TYR A 32 6.374 -1.341 -5.256 1.00 0.00 C ATOM 460 CZ TYR A 32 7.222 -2.346 -4.843 1.00 0.00 C ATOM 461 OH TYR A 32 7.899 -3.092 -5.781 1.00 0.00 O ATOM 0 H TYR A 32 2.408 0.653 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 32 3.856 -1.661 -1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.964 1.004 -2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.746 0.106 -1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.853 -2.048 -1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.035 0.199 -4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.063 -3.388 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.239 -1.144 -6.309 1.00 0.00 H new ATOM 0 HH TYR A 32 7.660 -2.782 -6.680 1.00 0.00 H new ATOM 471 N TYR A 33 3.283 -0.801 0.842 1.00 0.00 N ATOM 472 CA TYR A 33 2.979 -0.333 2.180 1.00 0.00 C ATOM 473 C TYR A 33 4.266 0.021 2.910 1.00 0.00 C ATOM 474 O TYR A 33 5.163 -0.815 3.049 1.00 0.00 O ATOM 475 CB TYR A 33 2.199 -1.402 2.954 1.00 0.00 C ATOM 476 CG TYR A 33 1.988 -1.076 4.419 1.00 0.00 C ATOM 477 CD1 TYR A 33 0.935 -0.270 4.832 1.00 0.00 C ATOM 478 CD2 TYR A 33 2.846 -1.582 5.390 1.00 0.00 C ATOM 479 CE1 TYR A 33 0.745 0.024 6.170 1.00 0.00 C ATOM 480 CE2 TYR A 33 2.662 -1.292 6.726 1.00 0.00 C ATOM 481 CZ TYR A 33 1.612 -0.491 7.112 1.00 0.00 C ATOM 482 OH TYR A 33 1.433 -0.200 8.446 1.00 0.00 O ATOM 0 H TYR A 33 3.442 -1.806 0.774 1.00 0.00 H new ATOM 0 HA TYR A 33 2.359 0.560 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.227 -1.541 2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.730 -2.351 2.877 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.254 0.133 4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.671 -2.213 5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.078 0.653 6.476 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.339 -1.692 7.466 1.00 0.00 H new ATOM 0 HH TYR A 33 2.130 -0.643 8.974 1.00 0.00 H new ATOM 492 N ASP A 34 4.364 1.266 3.350 1.00 0.00 N ATOM 493 CA ASP A 34 5.505 1.695 4.144 1.00 0.00 C ATOM 494 C ASP A 34 5.244 1.416 5.614 1.00 0.00 C ATOM 495 O ASP A 34 4.325 1.974 6.203 1.00 0.00 O ATOM 496 CB ASP A 34 5.794 3.187 3.959 1.00 0.00 C ATOM 497 CG ASP A 34 6.965 3.644 4.816 1.00 0.00 C ATOM 498 OD1 ASP A 34 6.917 4.773 5.339 1.00 0.00 O ATOM 499 OD2 ASP A 34 7.919 2.862 4.996 1.00 0.00 O ATOM 0 H ASP A 34 3.672 1.993 3.172 1.00 0.00 H new ATOM 0 HA ASP A 34 6.374 1.133 3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.011 3.388 2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.906 3.764 4.218 1.00 0.00 H new ATOM 504 N PRO A 35 6.037 0.524 6.218 1.00 0.00 N ATOM 505 CA PRO A 35 5.911 0.190 7.638 1.00 0.00 C ATOM 506 C PRO A 35 6.135 1.391 8.549 1.00 0.00 C ATOM 507 O PRO A 35 5.645 1.419 9.677 1.00 0.00 O ATOM 508 CB PRO A 35 7.010 -0.847 7.882 1.00 0.00 C ATOM 509 CG PRO A 35 7.918 -0.772 6.700 1.00 0.00 C ATOM 510 CD PRO A 35 7.101 -0.244 5.558 1.00 0.00 C ATOM 0 HA PRO A 35 4.906 -0.168 7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.551 -0.632 8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.587 -1.846 7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.765 -0.117 6.904 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.325 -1.755 6.462 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.697 0.384 4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.694 -1.052 4.950 1.00 0.00 H new ATOM 518 N ASN A 36 6.873 2.379 8.060 1.00 0.00 N ATOM 519 CA ASN A 36 7.234 3.522 8.885 1.00 0.00 C ATOM 520 C ASN A 36 6.122 4.568 8.890 1.00 0.00 C ATOM 521 O ASN A 36 5.656 4.985 9.950 1.00 0.00 O ATOM 522 CB ASN A 36 8.541 4.146 8.392 1.00 0.00 C ATOM 523 CG ASN A 36 9.138 5.104 9.400 1.00 0.00 C ATOM 524 OD1 ASN A 36 8.962 4.800 10.675 1.00 0.00 O flip ATOM 525 ND2 ASN A 36 9.773 6.093 9.039 1.00 0.00 N flip ATOM 0 H ASN A 36 7.230 2.412 7.105 1.00 0.00 H new ATOM 0 HA ASN A 36 7.375 3.168 9.906 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.260 3.355 8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.358 4.674 7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.886 6.292 8.045 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.187 6.715 9.734 1.00 0.00 H new ATOM 532 N SER A 37 5.696 4.984 7.708 1.00 0.00 N ATOM 533 CA SER A 37 4.637 5.978 7.582 1.00 0.00 C ATOM 534 C SER A 37 3.258 5.351 7.761 1.00 0.00 C ATOM 535 O SER A 37 2.293 6.034 8.101 1.00 0.00 O ATOM 536 CB SER A 37 4.711 6.644 6.211 1.00 0.00 C ATOM 537 OG SER A 37 6.004 7.165 5.960 1.00 0.00 O ATOM 0 H SER A 37 6.067 4.649 6.819 1.00 0.00 H new ATOM 0 HA SER A 37 4.783 6.720 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.452 5.920 5.438 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.976 7.447 6.154 1.00 0.00 H new ATOM 0 HG SER A 37 6.523 6.516 5.441 1.00 0.00 H new ATOM 543 N GLN A 38 3.188 4.042 7.520 1.00 0.00 N ATOM 544 CA GLN A 38 1.933 3.290 7.542 1.00 0.00 C ATOM 545 C GLN A 38 1.014 3.743 6.411 1.00 0.00 C ATOM 546 O GLN A 38 -0.208 3.605 6.486 1.00 0.00 O ATOM 547 CB GLN A 38 1.233 3.408 8.898 1.00 0.00 C ATOM 548 CG GLN A 38 2.023 2.788 10.037 1.00 0.00 C ATOM 549 CD GLN A 38 1.356 2.988 11.382 1.00 0.00 C ATOM 550 OE1 GLN A 38 0.624 4.080 11.516 1.00 0.00 O flip ATOM 551 NE2 GLN A 38 1.494 2.165 12.290 1.00 0.00 N flip ATOM 0 H GLN A 38 4.004 3.470 7.303 1.00 0.00 H new ATOM 0 HA GLN A 38 2.172 2.238 7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.057 4.461 9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.257 2.927 8.838 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.146 1.721 9.851 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.022 3.224 10.062 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.069 1.335 12.143 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.033 2.314 13.188 1.00 0.00 H new ATOM 560 N TYR A 39 1.623 4.267 5.357 1.00 0.00 N ATOM 561 CA TYR A 39 0.896 4.704 4.176 1.00 0.00 C ATOM 562 C TYR A 39 1.264 3.835 2.983 1.00 0.00 C ATOM 563 O TYR A 39 2.228 3.068 3.033 1.00 0.00 O ATOM 564 CB TYR A 39 1.194 6.171 3.859 1.00 0.00 C ATOM 565 CG TYR A 39 0.556 7.138 4.829 1.00 0.00 C ATOM 566 CD1 TYR A 39 -0.820 7.320 4.844 1.00 0.00 C ATOM 567 CD2 TYR A 39 1.324 7.870 5.724 1.00 0.00 C ATOM 568 CE1 TYR A 39 -1.413 8.203 5.723 1.00 0.00 C ATOM 569 CE2 TYR A 39 0.738 8.754 6.608 1.00 0.00 C ATOM 570 CZ TYR A 39 -0.630 8.918 6.603 1.00 0.00 C ATOM 571 OH TYR A 39 -1.218 9.802 7.479 1.00 0.00 O ATOM 0 H TYR A 39 2.632 4.401 5.297 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.170 4.605 4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.273 6.324 3.863 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.844 6.395 2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.437 6.761 4.156 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.397 7.746 5.729 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.485 8.333 5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.349 9.314 7.300 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.527 10.224 8.031 1.00 0.00 H new ATOM 581 N TYR A 40 0.491 3.963 1.920 1.00 0.00 N ATOM 582 CA TYR A 40 0.707 3.190 0.711 1.00 0.00 C ATOM 583 C TYR A 40 1.406 4.030 -0.339 1.00 0.00 C ATOM 584 O TYR A 40 1.176 5.231 -0.442 1.00 0.00 O ATOM 585 CB TYR A 40 -0.621 2.666 0.168 1.00 0.00 C ATOM 586 CG TYR A 40 -1.256 1.641 1.072 1.00 0.00 C ATOM 587 CD1 TYR A 40 -2.079 2.023 2.124 1.00 0.00 C ATOM 588 CD2 TYR A 40 -1.015 0.291 0.881 1.00 0.00 C ATOM 589 CE1 TYR A 40 -2.645 1.081 2.960 1.00 0.00 C ATOM 590 CE2 TYR A 40 -1.579 -0.655 1.709 1.00 0.00 C ATOM 591 CZ TYR A 40 -2.391 -0.257 2.747 1.00 0.00 C ATOM 592 OH TYR A 40 -2.952 -1.200 3.573 1.00 0.00 O ATOM 0 H TYR A 40 -0.301 4.603 1.870 1.00 0.00 H new ATOM 0 HA TYR A 40 1.344 2.340 0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.308 3.501 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.458 2.226 -0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.279 3.071 2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.375 -0.025 0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.282 1.390 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.385 -1.705 1.544 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.773 -2.095 3.216 1.00 0.00 H new ATOM 602 N TYR A 41 2.258 3.390 -1.107 1.00 0.00 N ATOM 603 CA TYR A 41 3.027 4.057 -2.130 1.00 0.00 C ATOM 604 C TYR A 41 2.656 3.514 -3.496 1.00 0.00 C ATOM 605 O TYR A 41 2.888 2.343 -3.795 1.00 0.00 O ATOM 606 CB TYR A 41 4.526 3.865 -1.872 1.00 0.00 C ATOM 607 CG TYR A 41 5.414 4.403 -2.973 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.388 5.747 -3.324 1.00 0.00 C ATOM 609 CD2 TYR A 41 6.275 3.562 -3.665 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.194 6.235 -4.334 1.00 0.00 C ATOM 611 CE2 TYR A 41 7.086 4.041 -4.673 1.00 0.00 C ATOM 612 CZ TYR A 41 7.042 5.378 -5.005 1.00 0.00 C ATOM 613 OH TYR A 41 7.847 5.859 -6.013 1.00 0.00 O ATOM 0 H TYR A 41 2.437 2.388 -1.039 1.00 0.00 H new ATOM 0 HA TYR A 41 2.801 5.123 -2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.789 4.356 -0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.729 2.802 -1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.727 6.421 -2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.311 2.513 -3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.161 7.282 -4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.751 3.372 -5.199 1.00 0.00 H new ATOM 0 HH TYR A 41 8.383 5.126 -6.381 1.00 0.00 H new ATOM 623 N ASN A 42 2.055 4.358 -4.306 1.00 0.00 N ATOM 624 CA ASN A 42 1.788 4.015 -5.688 1.00 0.00 C ATOM 625 C ASN A 42 3.096 4.110 -6.451 1.00 0.00 C ATOM 626 O ASN A 42 3.568 5.204 -6.727 1.00 0.00 O ATOM 627 CB ASN A 42 0.749 4.971 -6.290 1.00 0.00 C ATOM 628 CG ASN A 42 0.272 4.545 -7.666 1.00 0.00 C ATOM 629 OD1 ASN A 42 0.990 3.875 -8.410 1.00 0.00 O ATOM 630 ND2 ASN A 42 -0.937 4.946 -8.020 1.00 0.00 N ATOM 0 H ASN A 42 1.741 5.289 -4.032 1.00 0.00 H new ATOM 0 HA ASN A 42 1.383 3.005 -5.752 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.108 5.035 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.179 5.971 -6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.307 4.702 -8.939 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.500 5.500 -7.374 1.00 0.00 H new ATOM 637 N SER A 43 3.694 2.974 -6.762 1.00 0.00 N ATOM 638 CA SER A 43 5.006 2.963 -7.397 1.00 0.00 C ATOM 639 C SER A 43 4.907 3.391 -8.860 1.00 0.00 C ATOM 640 O SER A 43 5.891 3.816 -9.461 1.00 0.00 O ATOM 641 CB SER A 43 5.635 1.571 -7.285 1.00 0.00 C ATOM 642 OG SER A 43 7.043 1.655 -7.121 1.00 0.00 O ATOM 0 H SER A 43 3.298 2.050 -6.588 1.00 0.00 H new ATOM 0 HA SER A 43 5.645 3.679 -6.880 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.199 1.039 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.404 0.992 -8.179 1.00 0.00 H new ATOM 0 HG SER A 43 7.419 0.753 -7.051 1.00 0.00 H new ATOM 648 N LEU A 44 3.705 3.303 -9.415 1.00 0.00 N ATOM 649 CA LEU A 44 3.478 3.649 -10.808 1.00 0.00 C ATOM 650 C LEU A 44 3.367 5.161 -10.984 1.00 0.00 C ATOM 651 O LEU A 44 3.911 5.724 -11.933 1.00 0.00 O ATOM 652 CB LEU A 44 2.206 2.963 -11.316 1.00 0.00 C ATOM 653 CG LEU A 44 1.867 3.210 -12.787 1.00 0.00 C ATOM 654 CD1 LEU A 44 2.940 2.627 -13.692 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.507 2.623 -13.126 1.00 0.00 C ATOM 0 H LEU A 44 2.870 2.993 -8.917 1.00 0.00 H new ATOM 0 HA LEU A 44 4.330 3.301 -11.392 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.306 1.889 -11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.366 3.297 -10.707 1.00 0.00 H new ATOM 0 HG LEU A 44 1.829 4.287 -12.953 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.679 2.814 -14.734 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.898 3.096 -13.469 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.013 1.553 -13.524 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.282 2.808 -14.176 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.518 1.549 -12.941 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.256 3.090 -12.504 1.00 0.00 H new ATOM 667 N THR A 45 2.668 5.814 -10.066 1.00 0.00 N ATOM 668 CA THR A 45 2.449 7.251 -10.158 1.00 0.00 C ATOM 669 C THR A 45 3.383 8.012 -9.216 1.00 0.00 C ATOM 670 O THR A 45 3.525 9.231 -9.302 1.00 0.00 O ATOM 671 CB THR A 45 0.985 7.606 -9.834 1.00 0.00 C ATOM 672 OG1 THR A 45 0.114 6.631 -10.425 1.00 0.00 O ATOM 673 CG2 THR A 45 0.628 8.989 -10.360 1.00 0.00 C ATOM 0 H THR A 45 2.243 5.373 -9.250 1.00 0.00 H new ATOM 0 HA THR A 45 2.667 7.549 -11.184 1.00 0.00 H new ATOM 0 HB THR A 45 0.864 7.607 -8.751 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.817 6.856 -10.218 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.411 9.214 -10.117 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.277 9.733 -9.898 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.761 9.012 -11.442 1.00 0.00 H new ATOM 681 N GLN A 46 4.023 7.259 -8.321 1.00 0.00 N ATOM 682 CA GLN A 46 4.959 7.804 -7.342 1.00 0.00 C ATOM 683 C GLN A 46 4.255 8.769 -6.390 1.00 0.00 C ATOM 684 O GLN A 46 4.560 9.960 -6.342 1.00 0.00 O ATOM 685 CB GLN A 46 6.138 8.476 -8.047 1.00 0.00 C ATOM 686 CG GLN A 46 6.896 7.526 -8.961 1.00 0.00 C ATOM 687 CD GLN A 46 8.035 8.193 -9.711 1.00 0.00 C ATOM 688 OE1 GLN A 46 7.873 9.465 -10.048 1.00 0.00 O flip ATOM 689 NE2 GLN A 46 9.055 7.562 -9.996 1.00 0.00 N flip ATOM 0 H GLN A 46 3.905 6.248 -8.256 1.00 0.00 H new ATOM 0 HA GLN A 46 5.349 6.981 -6.743 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.773 9.321 -8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.822 8.877 -7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.294 6.703 -8.368 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.201 7.093 -9.681 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.144 6.584 -9.720 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.810 8.018 -10.508 1.00 0.00 H new ATOM 698 N GLN A 47 3.313 8.232 -5.625 1.00 0.00 N ATOM 699 CA GLN A 47 2.521 9.036 -4.702 1.00 0.00 C ATOM 700 C GLN A 47 2.139 8.210 -3.477 1.00 0.00 C ATOM 701 O GLN A 47 2.296 6.988 -3.478 1.00 0.00 O ATOM 702 CB GLN A 47 1.262 9.545 -5.403 1.00 0.00 C ATOM 703 CG GLN A 47 0.261 8.452 -5.734 1.00 0.00 C ATOM 704 CD GLN A 47 -1.010 8.995 -6.348 1.00 0.00 C ATOM 705 OE1 GLN A 47 -1.133 9.105 -7.565 1.00 0.00 O ATOM 706 NE2 GLN A 47 -1.964 9.357 -5.505 1.00 0.00 N ATOM 0 H GLN A 47 3.078 7.239 -5.626 1.00 0.00 H new ATOM 0 HA GLN A 47 3.117 9.889 -4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.779 10.287 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.550 10.052 -6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.718 7.742 -6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.015 7.902 -4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.824 9.250 -4.500 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.839 9.743 -5.860 1.00 0.00 H new ATOM 715 N TYR A 48 1.624 8.868 -2.444 1.00 0.00 N ATOM 716 CA TYR A 48 1.262 8.181 -1.212 1.00 0.00 C ATOM 717 C TYR A 48 -0.240 8.205 -0.979 1.00 0.00 C ATOM 718 O TYR A 48 -0.920 9.195 -1.268 1.00 0.00 O ATOM 719 CB TYR A 48 2.002 8.777 -0.015 1.00 0.00 C ATOM 720 CG TYR A 48 3.401 8.231 0.143 1.00 0.00 C ATOM 721 CD1 TYR A 48 4.432 8.646 -0.689 1.00 0.00 C ATOM 722 CD2 TYR A 48 3.685 7.287 1.121 1.00 0.00 C ATOM 723 CE1 TYR A 48 5.708 8.134 -0.552 1.00 0.00 C ATOM 724 CE2 TYR A 48 4.957 6.771 1.268 1.00 0.00 C ATOM 725 CZ TYR A 48 5.965 7.196 0.428 1.00 0.00 C ATOM 726 OH TYR A 48 7.234 6.686 0.567 1.00 0.00 O ATOM 0 H TYR A 48 1.449 9.873 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 48 1.565 7.139 -1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.051 9.860 -0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.434 8.576 0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.234 9.381 -1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.897 6.951 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.500 8.466 -1.208 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.161 6.039 2.036 1.00 0.00 H new ATOM 0 HH TYR A 48 7.248 6.038 1.302 1.00 0.00 H new ATOM 736 N LEU A 49 -0.744 7.106 -0.438 1.00 0.00 N ATOM 737 CA LEU A 49 -2.174 6.894 -0.287 1.00 0.00 C ATOM 738 C LEU A 49 -2.479 6.237 1.050 1.00 0.00 C ATOM 739 O LEU A 49 -1.574 5.787 1.749 1.00 0.00 O ATOM 740 CB LEU A 49 -2.678 5.992 -1.417 1.00 0.00 C ATOM 741 CG LEU A 49 -2.453 6.532 -2.827 1.00 0.00 C ATOM 742 CD1 LEU A 49 -2.593 5.427 -3.858 1.00 0.00 C ATOM 743 CD2 LEU A 49 -3.438 7.648 -3.114 1.00 0.00 C ATOM 0 H LEU A 49 -0.172 6.336 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.676 7.861 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.187 5.023 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.745 5.822 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.439 6.926 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.428 5.836 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.856 4.648 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.595 5.001 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.272 8.029 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.455 7.265 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.295 8.453 -2.393 1.00 0.00 H new ATOM 755 N TYR A 50 -3.751 6.190 1.402 1.00 0.00 N ATOM 756 CA TYR A 50 -4.192 5.439 2.564 1.00 0.00 C ATOM 757 C TYR A 50 -5.527 4.777 2.255 1.00 0.00 C ATOM 758 O TYR A 50 -6.345 5.330 1.516 1.00 0.00 O ATOM 759 CB TYR A 50 -4.295 6.338 3.809 1.00 0.00 C ATOM 760 CG TYR A 50 -5.397 7.380 3.772 1.00 0.00 C ATOM 761 CD1 TYR A 50 -6.644 7.116 4.330 1.00 0.00 C ATOM 762 CD2 TYR A 50 -5.187 8.629 3.201 1.00 0.00 C ATOM 763 CE1 TYR A 50 -7.647 8.065 4.319 1.00 0.00 C ATOM 764 CE2 TYR A 50 -6.188 9.583 3.186 1.00 0.00 C ATOM 765 CZ TYR A 50 -7.414 9.295 3.747 1.00 0.00 C ATOM 766 OH TYR A 50 -8.412 10.244 3.738 1.00 0.00 O ATOM 0 H TYR A 50 -4.500 6.665 0.898 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.453 4.670 2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.448 5.704 4.682 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.341 6.847 3.948 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.831 6.152 4.780 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.227 8.858 2.762 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -8.609 7.843 4.757 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.010 10.549 2.737 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.086 11.057 3.298 1.00 0.00 H new ATOM 776 N TRP A 51 -5.731 3.584 2.794 1.00 0.00 N ATOM 777 CA TRP A 51 -6.954 2.842 2.554 1.00 0.00 C ATOM 778 C TRP A 51 -8.103 3.389 3.390 1.00 0.00 C ATOM 779 O TRP A 51 -8.088 3.297 4.618 1.00 0.00 O ATOM 780 CB TRP A 51 -6.744 1.360 2.870 1.00 0.00 C ATOM 781 CG TRP A 51 -8.011 0.561 2.832 1.00 0.00 C ATOM 782 CD1 TRP A 51 -8.738 0.125 3.904 1.00 0.00 C ATOM 783 CD2 TRP A 51 -8.705 0.109 1.666 1.00 0.00 C ATOM 784 NE1 TRP A 51 -9.841 -0.568 3.473 1.00 0.00 N ATOM 785 CE2 TRP A 51 -9.842 -0.593 2.105 1.00 0.00 C ATOM 786 CE3 TRP A 51 -8.477 0.229 0.292 1.00 0.00 C ATOM 787 CZ2 TRP A 51 -10.745 -1.173 1.222 1.00 0.00 C ATOM 788 CZ3 TRP A 51 -9.374 -0.346 -0.584 1.00 0.00 C ATOM 789 CH2 TRP A 51 -10.496 -1.040 -0.115 1.00 0.00 C ATOM 0 H TRP A 51 -5.062 3.111 3.401 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.212 2.954 1.501 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.036 0.940 2.155 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.293 1.267 3.858 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.482 0.300 4.938 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.545 -0.995 4.074 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.614 0.763 -0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -11.612 -1.709 1.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.208 -0.260 -1.648 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -11.180 -1.480 -0.826 1.00 0.00 H new ATOM 800 N ASP A 52 -9.088 3.961 2.723 1.00 0.00 N ATOM 801 CA ASP A 52 -10.305 4.384 3.392 1.00 0.00 C ATOM 802 C ASP A 52 -11.369 3.309 3.220 1.00 0.00 C ATOM 803 O ASP A 52 -11.770 2.993 2.097 1.00 0.00 O ATOM 804 CB ASP A 52 -10.804 5.722 2.842 1.00 0.00 C ATOM 805 CG ASP A 52 -12.062 6.195 3.537 1.00 0.00 C ATOM 806 OD1 ASP A 52 -13.157 5.796 3.110 1.00 0.00 O ATOM 807 OD2 ASP A 52 -11.959 6.972 4.509 1.00 0.00 O ATOM 0 H ASP A 52 -9.070 4.143 1.720 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.093 4.524 4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.023 6.474 2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.997 5.624 1.774 1.00 0.00 H new ATOM 812 N GLY A 53 -11.805 2.736 4.335 1.00 0.00 N ATOM 813 CA GLY A 53 -12.752 1.639 4.294 1.00 0.00 C ATOM 814 C GLY A 53 -14.131 2.069 3.838 1.00 0.00 C ATOM 815 O GLY A 53 -14.894 1.263 3.303 1.00 0.00 O ATOM 0 H GLY A 53 -11.517 3.014 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.377 0.867 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.825 1.192 5.285 1.00 0.00 H new ATOM 819 N GLU A 54 -14.443 3.343 4.032 1.00 0.00 N ATOM 820 CA GLU A 54 -15.743 3.884 3.662 1.00 0.00 C ATOM 821 C GLU A 54 -15.873 3.975 2.144 1.00 0.00 C ATOM 822 O GLU A 54 -16.872 3.552 1.560 1.00 0.00 O ATOM 823 CB GLU A 54 -15.913 5.270 4.289 1.00 0.00 C ATOM 824 CG GLU A 54 -17.171 6.001 3.863 1.00 0.00 C ATOM 825 CD GLU A 54 -17.181 7.437 4.337 1.00 0.00 C ATOM 826 OE1 GLU A 54 -16.699 8.321 3.593 1.00 0.00 O ATOM 827 OE2 GLU A 54 -17.667 7.694 5.457 1.00 0.00 O ATOM 0 H GLU A 54 -13.808 4.025 4.447 1.00 0.00 H new ATOM 0 HA GLU A 54 -16.523 3.219 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -15.918 5.166 5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -15.048 5.881 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.253 5.978 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -18.044 5.482 4.260 1.00 0.00 H new ATOM 834 N LYS A 55 -14.848 4.525 1.516 1.00 0.00 N ATOM 835 CA LYS A 55 -14.851 4.754 0.078 1.00 0.00 C ATOM 836 C LYS A 55 -14.357 3.533 -0.688 1.00 0.00 C ATOM 837 O LYS A 55 -14.537 3.436 -1.905 1.00 0.00 O ATOM 838 CB LYS A 55 -13.977 5.962 -0.250 1.00 0.00 C ATOM 839 CG LYS A 55 -14.390 7.216 0.497 1.00 0.00 C ATOM 840 CD LYS A 55 -13.396 8.343 0.300 1.00 0.00 C ATOM 841 CE LYS A 55 -13.860 9.615 0.988 1.00 0.00 C ATOM 842 NZ LYS A 55 -14.108 9.406 2.441 1.00 0.00 N ATOM 0 H LYS A 55 -13.993 4.825 1.984 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.879 4.945 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.940 5.728 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.021 6.154 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.374 7.536 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.480 6.993 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.424 8.047 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.263 8.531 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.108 10.393 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.773 9.972 0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.022 10.313 2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.066 9.024 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.410 8.734 2.819 1.00 0.00 H new ATOM 856 N GLU A 56 -13.727 2.612 0.044 1.00 0.00 N ATOM 857 CA GLU A 56 -13.166 1.388 -0.529 1.00 0.00 C ATOM 858 C GLU A 56 -12.122 1.723 -1.588 1.00 0.00 C ATOM 859 O GLU A 56 -12.066 1.097 -2.647 1.00 0.00 O ATOM 860 CB GLU A 56 -14.265 0.510 -1.133 1.00 0.00 C ATOM 861 CG GLU A 56 -15.276 0.000 -0.118 1.00 0.00 C ATOM 862 CD GLU A 56 -16.393 -0.789 -0.765 1.00 0.00 C ATOM 863 OE1 GLU A 56 -16.239 -2.017 -0.938 1.00 0.00 O ATOM 864 OE2 GLU A 56 -17.431 -0.179 -1.108 1.00 0.00 O ATOM 0 H GLU A 56 -13.592 2.694 1.052 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.686 0.831 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.791 1.079 -1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.803 -0.343 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.768 -0.628 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.699 0.845 0.426 1.00 0.00 H new ATOM 871 N THR A 57 -11.294 2.712 -1.298 1.00 0.00 N ATOM 872 CA THR A 57 -10.287 3.156 -2.242 1.00 0.00 C ATOM 873 C THR A 57 -9.078 3.726 -1.506 1.00 0.00 C ATOM 874 O THR A 57 -9.180 4.149 -0.349 1.00 0.00 O ATOM 875 CB THR A 57 -10.865 4.218 -3.214 1.00 0.00 C ATOM 876 OG1 THR A 57 -9.907 4.549 -4.231 1.00 0.00 O ATOM 877 CG2 THR A 57 -11.266 5.483 -2.468 1.00 0.00 C ATOM 0 H THR A 57 -11.301 3.222 -0.415 1.00 0.00 H new ATOM 0 HA THR A 57 -9.971 2.291 -2.825 1.00 0.00 H new ATOM 0 HB THR A 57 -11.751 3.788 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.290 5.219 -4.835 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.668 6.210 -3.174 1.00 0.00 H new ATOM 0 HG22 THR A 57 -12.025 5.242 -1.724 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.392 5.905 -1.971 1.00 0.00 H new ATOM 885 N TYR A 58 -7.932 3.699 -2.165 1.00 0.00 N ATOM 886 CA TYR A 58 -6.726 4.297 -1.624 1.00 0.00 C ATOM 887 C TYR A 58 -6.676 5.765 -2.011 1.00 0.00 C ATOM 888 O TYR A 58 -6.404 6.112 -3.159 1.00 0.00 O ATOM 889 CB TYR A 58 -5.482 3.574 -2.135 1.00 0.00 C ATOM 890 CG TYR A 58 -5.465 2.091 -1.829 1.00 0.00 C ATOM 891 CD1 TYR A 58 -5.944 1.167 -2.749 1.00 0.00 C ATOM 892 CD2 TYR A 58 -4.968 1.616 -0.622 1.00 0.00 C ATOM 893 CE1 TYR A 58 -5.930 -0.186 -2.474 1.00 0.00 C ATOM 894 CE2 TYR A 58 -4.950 0.263 -0.339 1.00 0.00 C ATOM 895 CZ TYR A 58 -5.432 -0.632 -1.269 1.00 0.00 C ATOM 896 OH TYR A 58 -5.420 -1.980 -0.993 1.00 0.00 O ATOM 0 H TYR A 58 -7.813 3.266 -3.081 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.744 4.206 -0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.410 3.713 -3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.599 4.036 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.334 1.513 -3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.589 2.316 0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.307 -0.891 -3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.561 -0.090 0.605 1.00 0.00 H new ATOM 0 HH TYR A 58 -5.194 -2.478 -1.806 1.00 0.00 H new ATOM 906 N VAL A 59 -6.951 6.616 -1.045 1.00 0.00 N ATOM 907 CA VAL A 59 -7.026 8.048 -1.274 1.00 0.00 C ATOM 908 C VAL A 59 -5.743 8.731 -0.823 1.00 0.00 C ATOM 909 O VAL A 59 -5.080 8.268 0.105 1.00 0.00 O ATOM 910 CB VAL A 59 -8.237 8.671 -0.546 1.00 0.00 C ATOM 911 CG1 VAL A 59 -9.498 8.508 -1.378 1.00 0.00 C ATOM 912 CG2 VAL A 59 -8.427 8.040 0.824 1.00 0.00 C ATOM 0 H VAL A 59 -7.129 6.338 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.154 8.203 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.041 9.735 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.342 8.952 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.367 9.007 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.691 7.448 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.286 8.495 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.598 6.969 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.533 8.203 1.427 1.00 0.00 H new ATOM 922 N PRO A 60 -5.364 9.824 -1.503 1.00 0.00 N ATOM 923 CA PRO A 60 -4.125 10.548 -1.224 1.00 0.00 C ATOM 924 C PRO A 60 -4.050 11.063 0.207 1.00 0.00 C ATOM 925 O PRO A 60 -4.971 11.721 0.697 1.00 0.00 O ATOM 926 CB PRO A 60 -4.153 11.723 -2.206 1.00 0.00 C ATOM 927 CG PRO A 60 -5.093 11.303 -3.281 1.00 0.00 C ATOM 928 CD PRO A 60 -6.114 10.433 -2.610 1.00 0.00 C ATOM 0 HA PRO A 60 -3.257 9.899 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.493 12.637 -1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.160 11.926 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.563 12.167 -3.750 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.570 10.758 -4.067 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.963 11.014 -2.249 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.510 9.679 -3.291 1.00 0.00 H new ATOM 936 N ALA A 61 -2.944 10.753 0.863 1.00 0.00 N ATOM 937 CA ALA A 61 -2.688 11.231 2.216 1.00 0.00 C ATOM 938 C ALA A 61 -2.229 12.684 2.189 1.00 0.00 C ATOM 939 O ALA A 61 -2.086 13.329 3.227 1.00 0.00 O ATOM 940 CB ALA A 61 -1.645 10.357 2.892 1.00 0.00 C ATOM 0 H ALA A 61 -2.202 10.168 0.479 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.614 11.174 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.462 10.724 3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.006 9.330 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.717 10.390 2.321 1.00 0.00 H new