USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=25 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= 0.233 K(o=2.1,f=-7.2!) USER MOD Set 1.2: A 45 THR OG1 : rot 166:sc= 0.953 USER MOD Set 1.3: A 47 GLN : amide:sc= 0.939 K(o=2.1,f=0.31!) USER MOD Set 2.1: A 15 TYR OH : rot 6:sc= 0.297 USER MOD Set 2.2: A 40 TYR OH : rot -178:sc= 1.18 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00679 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 16 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.48) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 80:sc= 1.27 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 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 28 THR OG1 : rot 114:sc= 1.25 USER MOD Single : A 29 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.21! K(o=-1.2!,f=-0.15) USER MOD Single : A 37 SER OG : rot -91:sc= 0.737 USER MOD Single : A 38 GLN : amide:sc= -0.736 K(o=-0.74,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0146 USER MOD Single : A 43 SER OG : rot -36:sc= 0.0186 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0721) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 8 -11.917 -4.651 -0.481 1.00 0.00 N ATOM 102 CA ALA A 8 -12.054 -4.908 0.945 1.00 0.00 C ATOM 103 C ALA A 8 -10.821 -4.441 1.706 1.00 0.00 C ATOM 104 O ALA A 8 -9.861 -3.949 1.106 1.00 0.00 O ATOM 105 CB ALA A 8 -12.304 -6.388 1.198 1.00 0.00 C ATOM 0 HA ALA A 8 -12.911 -4.341 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.404 -6.562 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.221 -6.694 0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.467 -6.970 0.812 1.00 0.00 H new ATOM 111 N VAL A 9 -10.850 -4.595 3.025 1.00 0.00 N ATOM 112 CA VAL A 9 -9.727 -4.195 3.864 1.00 0.00 C ATOM 113 C VAL A 9 -8.484 -5.019 3.537 1.00 0.00 C ATOM 114 O VAL A 9 -8.561 -6.233 3.318 1.00 0.00 O ATOM 115 CB VAL A 9 -10.055 -4.314 5.370 1.00 0.00 C ATOM 116 CG1 VAL A 9 -11.154 -3.335 5.754 1.00 0.00 C ATOM 117 CG2 VAL A 9 -10.454 -5.735 5.737 1.00 0.00 C ATOM 0 H VAL A 9 -11.638 -4.993 3.536 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.529 -3.145 3.647 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.154 -4.065 5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.373 -3.432 6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.825 -2.318 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.053 -3.553 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.678 -5.786 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.336 -6.024 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.634 -6.414 5.506 1.00 0.00 H new ATOM 127 N PRO A 10 -7.329 -4.356 3.474 1.00 0.00 N ATOM 128 CA PRO A 10 -6.074 -4.991 3.117 1.00 0.00 C ATOM 129 C PRO A 10 -5.335 -5.570 4.315 1.00 0.00 C ATOM 130 O PRO A 10 -5.200 -4.927 5.359 1.00 0.00 O ATOM 131 CB PRO A 10 -5.288 -3.838 2.498 1.00 0.00 C ATOM 132 CG PRO A 10 -5.787 -2.606 3.184 1.00 0.00 C ATOM 133 CD PRO A 10 -7.156 -2.920 3.739 1.00 0.00 C ATOM 0 HA PRO A 10 -6.217 -5.846 2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.216 -3.966 2.650 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.453 -3.783 1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.108 -2.310 3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.839 -1.772 2.485 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.214 -2.702 4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.930 -2.328 3.250 1.00 0.00 H new ATOM 141 N ASP A 11 -4.882 -6.801 4.162 1.00 0.00 N ATOM 142 CA ASP A 11 -4.033 -7.432 5.153 1.00 0.00 C ATOM 143 C ASP A 11 -2.581 -7.269 4.745 1.00 0.00 C ATOM 144 O ASP A 11 -2.229 -7.450 3.582 1.00 0.00 O ATOM 145 CB ASP A 11 -4.375 -8.920 5.320 1.00 0.00 C ATOM 146 CG ASP A 11 -5.582 -9.153 6.212 1.00 0.00 C ATOM 147 OD1 ASP A 11 -5.464 -8.947 7.440 1.00 0.00 O ATOM 148 OD2 ASP A 11 -6.644 -9.559 5.697 1.00 0.00 O ATOM 0 H ASP A 11 -5.091 -7.387 3.354 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.202 -6.947 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.565 -9.356 4.339 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.514 -9.441 5.739 1.00 0.00 H new ATOM 153 N THR A 12 -1.740 -6.910 5.693 1.00 0.00 N ATOM 154 CA THR A 12 -0.339 -6.669 5.400 1.00 0.00 C ATOM 155 C THR A 12 0.467 -7.958 5.499 1.00 0.00 C ATOM 156 O THR A 12 1.644 -8.001 5.146 1.00 0.00 O ATOM 157 CB THR A 12 0.236 -5.600 6.342 1.00 0.00 C ATOM 158 OG1 THR A 12 -0.079 -5.935 7.701 1.00 0.00 O ATOM 159 CG2 THR A 12 -0.336 -4.232 5.993 1.00 0.00 C ATOM 0 H THR A 12 -1.999 -6.779 6.671 1.00 0.00 H new ATOM 0 HA THR A 12 -0.267 -6.301 4.377 1.00 0.00 H new ATOM 0 HB THR A 12 1.319 -5.565 6.225 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.290 -5.253 8.300 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.078 -3.482 6.667 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.075 -3.980 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.421 -4.254 6.097 1.00 0.00 H new ATOM 167 N SER A 13 -0.193 -9.014 5.955 1.00 0.00 N ATOM 168 CA SER A 13 0.426 -10.326 6.067 1.00 0.00 C ATOM 169 C SER A 13 0.411 -11.038 4.715 1.00 0.00 C ATOM 170 O SER A 13 1.016 -12.096 4.546 1.00 0.00 O ATOM 171 CB SER A 13 -0.320 -11.153 7.112 1.00 0.00 C ATOM 172 OG SER A 13 -0.535 -10.389 8.288 1.00 0.00 O ATOM 0 H SER A 13 -1.167 -8.985 6.256 1.00 0.00 H new ATOM 0 HA SER A 13 1.464 -10.207 6.379 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.276 -11.485 6.707 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.253 -12.049 7.353 1.00 0.00 H new ATOM 0 HG SER A 13 -1.015 -10.932 8.947 1.00 0.00 H new ATOM 178 N THR A 14 -0.295 -10.449 3.759 1.00 0.00 N ATOM 179 CA THR A 14 -0.398 -11.009 2.422 1.00 0.00 C ATOM 180 C THR A 14 0.463 -10.223 1.438 1.00 0.00 C ATOM 181 O THR A 14 0.270 -10.294 0.225 1.00 0.00 O ATOM 182 CB THR A 14 -1.862 -11.027 1.941 1.00 0.00 C ATOM 183 OG1 THR A 14 -2.466 -9.746 2.155 1.00 0.00 O ATOM 184 CG2 THR A 14 -2.659 -12.088 2.680 1.00 0.00 C ATOM 0 H THR A 14 -0.808 -9.577 3.888 1.00 0.00 H new ATOM 0 HA THR A 14 -0.034 -12.036 2.465 1.00 0.00 H new ATOM 0 HB THR A 14 -1.866 -11.260 0.876 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.395 -9.767 1.845 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.689 -12.083 2.324 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.217 -13.068 2.498 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.643 -11.876 3.749 1.00 0.00 H new ATOM 192 N TYR A 15 1.407 -9.463 1.972 1.00 0.00 N ATOM 193 CA TYR A 15 2.296 -8.664 1.146 1.00 0.00 C ATOM 194 C TYR A 15 3.645 -9.348 0.997 1.00 0.00 C ATOM 195 O TYR A 15 3.924 -10.354 1.653 1.00 0.00 O ATOM 196 CB TYR A 15 2.493 -7.271 1.748 1.00 0.00 C ATOM 197 CG TYR A 15 1.254 -6.409 1.732 1.00 0.00 C ATOM 198 CD1 TYR A 15 0.206 -6.678 0.864 1.00 0.00 C ATOM 199 CD2 TYR A 15 1.140 -5.322 2.584 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.924 -5.888 0.850 1.00 0.00 C ATOM 201 CE2 TYR A 15 0.015 -4.527 2.574 1.00 0.00 C ATOM 202 CZ TYR A 15 -1.014 -4.814 1.706 1.00 0.00 C ATOM 203 OH TYR A 15 -2.140 -4.029 1.702 1.00 0.00 O ATOM 0 H TYR A 15 1.576 -9.383 2.975 1.00 0.00 H new ATOM 0 HA TYR A 15 1.836 -8.562 0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.835 -7.377 2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.285 -6.760 1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.276 -7.518 0.189 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.946 -5.095 3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.734 -6.111 0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.059 -3.683 3.244 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.814 -4.427 1.112 1.00 0.00 H new ATOM 213 N GLN A 16 4.473 -8.806 0.123 1.00 0.00 N ATOM 214 CA GLN A 16 5.816 -9.314 -0.082 1.00 0.00 C ATOM 215 C GLN A 16 6.823 -8.238 0.287 1.00 0.00 C ATOM 216 O GLN A 16 7.001 -7.277 -0.456 1.00 0.00 O ATOM 217 CB GLN A 16 6.020 -9.714 -1.546 1.00 0.00 C ATOM 218 CG GLN A 16 4.991 -10.698 -2.078 1.00 0.00 C ATOM 219 CD GLN A 16 5.160 -10.965 -3.563 1.00 0.00 C ATOM 220 OE1 GLN A 16 6.269 -10.893 -4.098 1.00 0.00 O ATOM 221 NE2 GLN A 16 4.068 -11.280 -4.237 1.00 0.00 N ATOM 0 H GLN A 16 4.235 -8.005 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 16 5.959 -10.192 0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.997 -8.815 -2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.013 -10.151 -1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.073 -11.637 -1.531 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.990 -10.308 -1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.169 -11.329 -3.757 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.124 -11.474 -5.237 1.00 0.00 H new ATOM 230 N TYR A 17 7.469 -8.380 1.431 1.00 0.00 N ATOM 231 CA TYR A 17 8.445 -7.392 1.861 1.00 0.00 C ATOM 232 C TYR A 17 9.643 -7.390 0.923 1.00 0.00 C ATOM 233 O TYR A 17 10.348 -8.393 0.801 1.00 0.00 O ATOM 234 CB TYR A 17 8.913 -7.651 3.296 1.00 0.00 C ATOM 235 CG TYR A 17 9.953 -6.655 3.763 1.00 0.00 C ATOM 236 CD1 TYR A 17 9.587 -5.366 4.134 1.00 0.00 C ATOM 237 CD2 TYR A 17 11.301 -6.993 3.812 1.00 0.00 C ATOM 238 CE1 TYR A 17 10.532 -4.444 4.537 1.00 0.00 C ATOM 239 CE2 TYR A 17 12.252 -6.077 4.219 1.00 0.00 C ATOM 240 CZ TYR A 17 11.863 -4.804 4.579 1.00 0.00 C ATOM 241 OH TYR A 17 12.808 -3.886 4.976 1.00 0.00 O ATOM 0 H TYR A 17 7.338 -9.161 2.074 1.00 0.00 H new ATOM 0 HA TYR A 17 7.960 -6.416 1.832 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.054 -7.613 3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.325 -8.658 3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.546 -5.081 4.106 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.610 -7.988 3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 17 10.231 -3.446 4.818 1.00 0.00 H new ATOM 0 HE2 TYR A 17 13.295 -6.357 4.255 1.00 0.00 H new ATOM 0 HH TYR A 17 13.696 -4.299 4.951 1.00 0.00 H new ATOM 251 N ASP A 18 9.864 -6.272 0.254 1.00 0.00 N ATOM 252 CA ASP A 18 11.016 -6.132 -0.615 1.00 0.00 C ATOM 253 C ASP A 18 12.136 -5.419 0.114 1.00 0.00 C ATOM 254 O ASP A 18 11.931 -4.367 0.715 1.00 0.00 O ATOM 255 CB ASP A 18 10.676 -5.374 -1.896 1.00 0.00 C ATOM 256 CG ASP A 18 11.909 -5.166 -2.750 1.00 0.00 C ATOM 257 OD1 ASP A 18 12.122 -4.037 -3.226 1.00 0.00 O ATOM 258 OD2 ASP A 18 12.697 -6.124 -2.903 1.00 0.00 O ATOM 0 H ASP A 18 9.261 -5.450 0.297 1.00 0.00 H new ATOM 0 HA ASP A 18 11.336 -7.136 -0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.927 -5.928 -2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.236 -4.409 -1.645 1.00 0.00 H new ATOM 263 N GLU A 19 13.315 -5.997 0.050 1.00 0.00 N ATOM 264 CA GLU A 19 14.475 -5.461 0.738 1.00 0.00 C ATOM 265 C GLU A 19 15.144 -4.382 -0.091 1.00 0.00 C ATOM 266 O GLU A 19 15.840 -3.518 0.436 1.00 0.00 O ATOM 267 CB GLU A 19 15.449 -6.587 1.018 1.00 0.00 C ATOM 268 CG GLU A 19 15.963 -7.276 -0.233 1.00 0.00 C ATOM 269 CD GLU A 19 16.814 -8.483 0.083 1.00 0.00 C ATOM 270 OE1 GLU A 19 18.042 -8.324 0.233 1.00 0.00 O ATOM 271 OE2 GLU A 19 16.257 -9.596 0.194 1.00 0.00 O ATOM 0 H GLU A 19 13.499 -6.850 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 19 14.155 -5.010 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.296 -6.191 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.963 -7.326 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.118 -7.582 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.546 -6.567 -0.821 1.00 0.00 H new ATOM 278 N SER A 20 14.921 -4.442 -1.389 1.00 0.00 N ATOM 279 CA SER A 20 15.515 -3.499 -2.309 1.00 0.00 C ATOM 280 C SER A 20 14.835 -2.141 -2.183 1.00 0.00 C ATOM 281 O SER A 20 15.458 -1.096 -2.382 1.00 0.00 O ATOM 282 CB SER A 20 15.394 -4.049 -3.730 1.00 0.00 C ATOM 283 OG SER A 20 15.974 -3.177 -4.684 1.00 0.00 O ATOM 0 H SER A 20 14.326 -5.142 -1.831 1.00 0.00 H new ATOM 0 HA SER A 20 16.570 -3.362 -2.072 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.880 -5.023 -3.785 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.342 -4.204 -3.971 1.00 0.00 H new ATOM 0 HG SER A 20 15.879 -3.562 -5.580 1.00 0.00 H new ATOM 289 N SER A 21 13.561 -2.162 -1.825 1.00 0.00 N ATOM 290 CA SER A 21 12.790 -0.944 -1.688 1.00 0.00 C ATOM 291 C SER A 21 12.518 -0.629 -0.219 1.00 0.00 C ATOM 292 O SER A 21 12.399 0.535 0.166 1.00 0.00 O ATOM 293 CB SER A 21 11.478 -1.090 -2.452 1.00 0.00 C ATOM 294 OG SER A 21 11.712 -1.548 -3.776 1.00 0.00 O ATOM 0 H SER A 21 13.040 -3.015 -1.624 1.00 0.00 H new ATOM 0 HA SER A 21 13.364 -0.116 -2.104 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.825 -1.790 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.960 -0.131 -2.480 1.00 0.00 H new ATOM 0 HG SER A 21 11.847 -2.519 -3.767 1.00 0.00 H new ATOM 300 N GLY A 22 12.422 -1.676 0.599 1.00 0.00 N ATOM 301 CA GLY A 22 12.225 -1.490 2.026 1.00 0.00 C ATOM 302 C GLY A 22 10.759 -1.434 2.406 1.00 0.00 C ATOM 303 O GLY A 22 10.416 -1.151 3.555 1.00 0.00 O ATOM 0 H GLY A 22 12.477 -2.649 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.706 -2.306 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.714 -0.568 2.340 1.00 0.00 H new ATOM 307 N TYR A 23 9.894 -1.725 1.444 1.00 0.00 N ATOM 308 CA TYR A 23 8.457 -1.632 1.653 1.00 0.00 C ATOM 309 C TYR A 23 7.793 -2.984 1.438 1.00 0.00 C ATOM 310 O TYR A 23 8.396 -3.903 0.878 1.00 0.00 O ATOM 311 CB TYR A 23 7.846 -0.615 0.687 1.00 0.00 C ATOM 312 CG TYR A 23 8.435 0.772 0.793 1.00 0.00 C ATOM 313 CD1 TYR A 23 9.164 1.318 -0.256 1.00 0.00 C ATOM 314 CD2 TYR A 23 8.258 1.537 1.936 1.00 0.00 C ATOM 315 CE1 TYR A 23 9.698 2.589 -0.167 1.00 0.00 C ATOM 316 CE2 TYR A 23 8.789 2.807 2.034 1.00 0.00 C ATOM 317 CZ TYR A 23 9.507 3.330 0.981 1.00 0.00 C ATOM 318 OH TYR A 23 10.034 4.599 1.074 1.00 0.00 O ATOM 0 H TYR A 23 10.164 -2.028 0.508 1.00 0.00 H new ATOM 0 HA TYR A 23 8.287 -1.309 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.977 -0.976 -0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.773 -0.557 0.869 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.316 0.740 -1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.695 1.132 2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.262 3.000 -0.991 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.642 3.388 2.932 1.00 0.00 H new ATOM 0 HH TYR A 23 9.808 4.984 1.946 1.00 0.00 H new ATOM 328 N TYR A 24 6.551 -3.100 1.891 1.00 0.00 N ATOM 329 CA TYR A 24 5.764 -4.308 1.671 1.00 0.00 C ATOM 330 C TYR A 24 5.011 -4.227 0.350 1.00 0.00 C ATOM 331 O TYR A 24 4.084 -3.439 0.204 1.00 0.00 O ATOM 332 CB TYR A 24 4.776 -4.524 2.816 1.00 0.00 C ATOM 333 CG TYR A 24 5.423 -4.996 4.095 1.00 0.00 C ATOM 334 CD1 TYR A 24 5.847 -4.094 5.060 1.00 0.00 C ATOM 335 CD2 TYR A 24 5.607 -6.351 4.333 1.00 0.00 C ATOM 336 CE1 TYR A 24 6.437 -4.531 6.232 1.00 0.00 C ATOM 337 CE2 TYR A 24 6.195 -6.797 5.499 1.00 0.00 C ATOM 338 CZ TYR A 24 6.611 -5.883 6.446 1.00 0.00 C ATOM 339 OH TYR A 24 7.197 -6.321 7.613 1.00 0.00 O ATOM 0 H TYR A 24 6.066 -2.371 2.414 1.00 0.00 H new ATOM 0 HA TYR A 24 6.451 -5.153 1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.248 -3.590 3.009 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.029 -5.254 2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.714 -3.035 4.894 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.284 -7.068 3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.760 -3.818 6.976 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.329 -7.855 5.670 1.00 0.00 H new ATOM 0 HH TYR A 24 7.244 -7.300 7.608 1.00 0.00 H new ATOM 349 N TYR A 25 5.406 -5.052 -0.599 1.00 0.00 N ATOM 350 CA TYR A 25 4.809 -5.045 -1.926 1.00 0.00 C ATOM 351 C TYR A 25 3.428 -5.684 -1.904 1.00 0.00 C ATOM 352 O TYR A 25 3.249 -6.784 -1.383 1.00 0.00 O ATOM 353 CB TYR A 25 5.713 -5.791 -2.907 1.00 0.00 C ATOM 354 CG TYR A 25 5.131 -5.954 -4.292 1.00 0.00 C ATOM 355 CD1 TYR A 25 4.712 -7.198 -4.749 1.00 0.00 C ATOM 356 CD2 TYR A 25 5.012 -4.865 -5.145 1.00 0.00 C ATOM 357 CE1 TYR A 25 4.196 -7.352 -6.021 1.00 0.00 C ATOM 358 CE2 TYR A 25 4.491 -5.010 -6.417 1.00 0.00 C ATOM 359 CZ TYR A 25 4.087 -6.257 -6.851 1.00 0.00 C ATOM 360 OH TYR A 25 3.582 -6.409 -8.125 1.00 0.00 O ATOM 0 H TYR A 25 6.145 -5.744 -0.477 1.00 0.00 H new ATOM 0 HA TYR A 25 4.702 -4.009 -2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.661 -5.259 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.934 -6.778 -2.500 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.791 -8.057 -4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.331 -3.889 -4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.879 -8.326 -6.364 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.400 -4.153 -7.068 1.00 0.00 H new ATOM 0 HH TYR A 25 3.571 -5.540 -8.578 1.00 0.00 H new ATOM 370 N ASP A 26 2.461 -4.969 -2.458 1.00 0.00 N ATOM 371 CA ASP A 26 1.113 -5.477 -2.631 1.00 0.00 C ATOM 372 C ASP A 26 0.926 -5.977 -4.050 1.00 0.00 C ATOM 373 O ASP A 26 0.741 -5.181 -4.970 1.00 0.00 O ATOM 374 CB ASP A 26 0.074 -4.392 -2.359 1.00 0.00 C ATOM 375 CG ASP A 26 -1.328 -4.867 -2.681 1.00 0.00 C ATOM 376 OD1 ASP A 26 -1.731 -5.929 -2.166 1.00 0.00 O ATOM 377 OD2 ASP A 26 -2.022 -4.190 -3.468 1.00 0.00 O ATOM 0 H ASP A 26 2.592 -4.017 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 26 0.974 -6.291 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.126 -4.093 -1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.305 -3.509 -2.955 1.00 0.00 H new ATOM 382 N PRO A 27 0.995 -7.295 -4.241 1.00 0.00 N ATOM 383 CA PRO A 27 0.754 -7.923 -5.538 1.00 0.00 C ATOM 384 C PRO A 27 -0.700 -7.787 -5.988 1.00 0.00 C ATOM 385 O PRO A 27 -1.009 -7.950 -7.168 1.00 0.00 O ATOM 386 CB PRO A 27 1.106 -9.394 -5.303 1.00 0.00 C ATOM 387 CG PRO A 27 0.998 -9.591 -3.829 1.00 0.00 C ATOM 388 CD PRO A 27 1.349 -8.274 -3.204 1.00 0.00 C ATOM 0 HA PRO A 27 1.342 -7.456 -6.327 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.423 -10.053 -5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.112 -9.620 -5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.010 -9.898 -3.550 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.675 -10.375 -3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.789 -8.104 -2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.407 -8.221 -2.947 1.00 0.00 H new ATOM 396 N THR A 28 -1.582 -7.468 -5.047 1.00 0.00 N ATOM 397 CA THR A 28 -2.997 -7.344 -5.338 1.00 0.00 C ATOM 398 C THR A 28 -3.258 -6.168 -6.277 1.00 0.00 C ATOM 399 O THR A 28 -3.794 -6.341 -7.371 1.00 0.00 O ATOM 400 CB THR A 28 -3.805 -7.143 -4.044 1.00 0.00 C ATOM 401 OG1 THR A 28 -3.218 -7.906 -2.979 1.00 0.00 O ATOM 402 CG2 THR A 28 -5.254 -7.564 -4.238 1.00 0.00 C ATOM 0 H THR A 28 -1.336 -7.291 -4.073 1.00 0.00 H new ATOM 0 HA THR A 28 -3.314 -8.268 -5.822 1.00 0.00 H new ATOM 0 HB THR A 28 -3.784 -6.084 -3.788 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.867 -7.298 -2.296 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.804 -7.412 -3.309 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.704 -6.964 -5.029 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.293 -8.618 -4.515 1.00 0.00 H new ATOM 410 N THR A 29 -2.868 -4.978 -5.842 1.00 0.00 N ATOM 411 CA THR A 29 -3.100 -3.768 -6.615 1.00 0.00 C ATOM 412 C THR A 29 -1.830 -3.327 -7.337 1.00 0.00 C ATOM 413 O THR A 29 -1.886 -2.808 -8.455 1.00 0.00 O ATOM 414 CB THR A 29 -3.588 -2.625 -5.704 1.00 0.00 C ATOM 415 OG1 THR A 29 -4.266 -3.176 -4.566 1.00 0.00 O ATOM 416 CG2 THR A 29 -4.529 -1.692 -6.452 1.00 0.00 C ATOM 0 H THR A 29 -2.388 -4.825 -4.955 1.00 0.00 H new ATOM 0 HA THR A 29 -3.868 -3.994 -7.354 1.00 0.00 H new ATOM 0 HB THR A 29 -2.720 -2.051 -5.380 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.607 -3.512 -3.924 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.858 -0.895 -5.785 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.009 -1.259 -7.306 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.396 -2.253 -6.802 1.00 0.00 H new ATOM 424 N GLY A 30 -0.686 -3.547 -6.700 1.00 0.00 N ATOM 425 CA GLY A 30 0.582 -3.158 -7.292 1.00 0.00 C ATOM 426 C GLY A 30 1.195 -1.984 -6.564 1.00 0.00 C ATOM 427 O GLY A 30 1.801 -1.103 -7.174 1.00 0.00 O ATOM 0 H GLY A 30 -0.613 -3.988 -5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.271 -4.003 -7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.432 -2.899 -8.340 1.00 0.00 H new ATOM 431 N LEU A 31 1.042 -1.978 -5.252 1.00 0.00 N ATOM 432 CA LEU A 31 1.473 -0.850 -4.438 1.00 0.00 C ATOM 433 C LEU A 31 2.527 -1.285 -3.440 1.00 0.00 C ATOM 434 O LEU A 31 2.911 -2.447 -3.398 1.00 0.00 O ATOM 435 CB LEU A 31 0.277 -0.243 -3.698 1.00 0.00 C ATOM 436 CG LEU A 31 -0.848 0.282 -4.592 1.00 0.00 C ATOM 437 CD1 LEU A 31 -1.962 0.878 -3.752 1.00 0.00 C ATOM 438 CD2 LEU A 31 -0.319 1.313 -5.576 1.00 0.00 C ATOM 0 H LEU A 31 0.622 -2.743 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 31 1.904 -0.097 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.136 -0.998 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.635 0.576 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.251 -0.558 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.753 1.246 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.366 0.114 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.568 1.703 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.136 1.672 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.114 2.150 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.445 0.857 -6.205 1.00 0.00 H new ATOM 450 N TYR A 32 3.013 -0.341 -2.660 1.00 0.00 N ATOM 451 CA TYR A 32 3.943 -0.641 -1.587 1.00 0.00 C ATOM 452 C TYR A 32 3.435 -0.055 -0.279 1.00 0.00 C ATOM 453 O TYR A 32 3.159 1.131 -0.198 1.00 0.00 O ATOM 454 CB TYR A 32 5.327 -0.066 -1.911 1.00 0.00 C ATOM 455 CG TYR A 32 6.140 -0.913 -2.865 1.00 0.00 C ATOM 456 CD1 TYR A 32 6.139 -0.657 -4.231 1.00 0.00 C ATOM 457 CD2 TYR A 32 6.911 -1.970 -2.398 1.00 0.00 C ATOM 458 CE1 TYR A 32 6.880 -1.433 -5.104 1.00 0.00 C ATOM 459 CE2 TYR A 32 7.656 -2.749 -3.263 1.00 0.00 C ATOM 460 CZ TYR A 32 7.637 -2.477 -4.614 1.00 0.00 C ATOM 461 OH TYR A 32 8.374 -3.257 -5.479 1.00 0.00 O ATOM 0 H TYR A 32 2.778 0.648 -2.749 1.00 0.00 H new ATOM 0 HA TYR A 32 4.024 -1.723 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.204 0.929 -2.340 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.885 0.054 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.550 0.162 -4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.929 -2.187 -1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.866 -1.223 -6.163 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.250 -3.567 -2.882 1.00 0.00 H new ATOM 0 HH TYR A 32 8.850 -3.947 -4.972 1.00 0.00 H new ATOM 471 N TYR A 33 3.304 -0.882 0.737 1.00 0.00 N ATOM 472 CA TYR A 33 2.899 -0.411 2.047 1.00 0.00 C ATOM 473 C TYR A 33 4.128 -0.063 2.864 1.00 0.00 C ATOM 474 O TYR A 33 5.014 -0.901 3.048 1.00 0.00 O ATOM 475 CB TYR A 33 2.063 -1.473 2.774 1.00 0.00 C ATOM 476 CG TYR A 33 1.715 -1.111 4.203 1.00 0.00 C ATOM 477 CD1 TYR A 33 2.444 -1.629 5.268 1.00 0.00 C ATOM 478 CD2 TYR A 33 0.661 -0.253 4.487 1.00 0.00 C ATOM 479 CE1 TYR A 33 2.132 -1.304 6.572 1.00 0.00 C ATOM 480 CE2 TYR A 33 0.341 0.078 5.791 1.00 0.00 C ATOM 481 CZ TYR A 33 1.081 -0.450 6.829 1.00 0.00 C ATOM 482 OH TYR A 33 0.766 -0.127 8.129 1.00 0.00 O ATOM 0 H TYR A 33 3.472 -1.886 0.682 1.00 0.00 H new ATOM 0 HA TYR A 33 2.282 0.479 1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.141 -1.639 2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.610 -2.416 2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.269 -2.298 5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.081 0.163 3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.708 -1.716 7.387 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.483 0.746 5.996 1.00 0.00 H new ATOM 0 HH TYR A 33 0.001 0.486 8.138 1.00 0.00 H new ATOM 492 N ASP A 34 4.187 1.172 3.337 1.00 0.00 N ATOM 493 CA ASP A 34 5.288 1.603 4.181 1.00 0.00 C ATOM 494 C ASP A 34 4.958 1.349 5.641 1.00 0.00 C ATOM 495 O ASP A 34 4.028 1.940 6.183 1.00 0.00 O ATOM 496 CB ASP A 34 5.592 3.091 3.992 1.00 0.00 C ATOM 497 CG ASP A 34 6.764 3.544 4.845 1.00 0.00 C ATOM 498 OD1 ASP A 34 6.788 4.723 5.242 1.00 0.00 O ATOM 499 OD2 ASP A 34 7.646 2.719 5.148 1.00 0.00 O ATOM 0 H ASP A 34 3.488 1.891 3.151 1.00 0.00 H new ATOM 0 HA ASP A 34 6.167 1.028 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.811 3.286 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.709 3.677 4.248 1.00 0.00 H new ATOM 504 N PRO A 35 5.708 0.456 6.290 1.00 0.00 N ATOM 505 CA PRO A 35 5.535 0.168 7.715 1.00 0.00 C ATOM 506 C PRO A 35 5.910 1.357 8.593 1.00 0.00 C ATOM 507 O PRO A 35 5.612 1.376 9.789 1.00 0.00 O ATOM 508 CB PRO A 35 6.488 -0.999 7.977 1.00 0.00 C ATOM 509 CG PRO A 35 7.466 -0.982 6.849 1.00 0.00 C ATOM 510 CD PRO A 35 6.767 -0.359 5.677 1.00 0.00 C ATOM 0 HA PRO A 35 4.495 -0.057 7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.994 -0.884 8.936 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.948 -1.945 8.013 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.355 -0.411 7.117 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.797 -1.993 6.609 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.448 0.251 5.084 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.354 -1.115 5.010 1.00 0.00 H new ATOM 518 N ASN A 36 6.565 2.347 8.001 1.00 0.00 N ATOM 519 CA ASN A 36 7.002 3.511 8.751 1.00 0.00 C ATOM 520 C ASN A 36 5.897 4.567 8.808 1.00 0.00 C ATOM 521 O ASN A 36 5.521 5.026 9.887 1.00 0.00 O ATOM 522 CB ASN A 36 8.262 4.106 8.120 1.00 0.00 C ATOM 523 CG ASN A 36 9.061 4.943 9.097 1.00 0.00 C ATOM 524 OD1 ASN A 36 9.627 5.975 8.732 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.160 4.477 10.332 1.00 0.00 N ATOM 0 H ASN A 36 6.803 2.365 7.009 1.00 0.00 H new ATOM 0 HA ASN A 36 7.230 3.194 9.769 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.889 3.300 7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.981 4.721 7.265 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.721 4.976 11.022 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.675 3.619 10.594 1.00 0.00 H new ATOM 532 N SER A 37 5.376 4.941 7.643 1.00 0.00 N ATOM 533 CA SER A 37 4.344 5.970 7.558 1.00 0.00 C ATOM 534 C SER A 37 2.934 5.386 7.663 1.00 0.00 C ATOM 535 O SER A 37 1.982 6.103 7.975 1.00 0.00 O ATOM 536 CB SER A 37 4.487 6.736 6.241 1.00 0.00 C ATOM 537 OG SER A 37 4.501 5.851 5.138 1.00 0.00 O ATOM 0 H SER A 37 5.652 4.546 6.744 1.00 0.00 H new ATOM 0 HA SER A 37 4.484 6.645 8.403 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.663 7.441 6.135 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.407 7.321 6.254 1.00 0.00 H new ATOM 0 HG SER A 37 5.425 5.596 4.935 1.00 0.00 H new ATOM 543 N GLN A 38 2.820 4.081 7.397 1.00 0.00 N ATOM 544 CA GLN A 38 1.536 3.370 7.387 1.00 0.00 C ATOM 545 C GLN A 38 0.676 3.821 6.208 1.00 0.00 C ATOM 546 O GLN A 38 -0.555 3.749 6.247 1.00 0.00 O ATOM 547 CB GLN A 38 0.784 3.551 8.712 1.00 0.00 C ATOM 548 CG GLN A 38 1.526 2.985 9.912 1.00 0.00 C ATOM 549 CD GLN A 38 0.816 3.256 11.225 1.00 0.00 C ATOM 550 OE1 GLN A 38 1.456 3.429 12.261 1.00 0.00 O ATOM 551 NE2 GLN A 38 -0.508 3.272 11.205 1.00 0.00 N ATOM 0 H GLN A 38 3.619 3.485 7.181 1.00 0.00 H new ATOM 0 HA GLN A 38 1.747 2.307 7.270 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.602 4.613 8.875 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.190 3.068 8.637 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.646 1.909 9.785 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.527 3.415 9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.007 3.125 10.327 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.029 3.432 12.067 1.00 0.00 H new ATOM 560 N TYR A 39 1.339 4.282 5.154 1.00 0.00 N ATOM 561 CA TYR A 39 0.661 4.682 3.929 1.00 0.00 C ATOM 562 C TYR A 39 1.063 3.771 2.778 1.00 0.00 C ATOM 563 O TYR A 39 2.033 3.014 2.877 1.00 0.00 O ATOM 564 CB TYR A 39 0.990 6.135 3.570 1.00 0.00 C ATOM 565 CG TYR A 39 0.354 7.148 4.488 1.00 0.00 C ATOM 566 CD1 TYR A 39 -1.016 7.362 4.461 1.00 0.00 C ATOM 567 CD2 TYR A 39 1.116 7.893 5.376 1.00 0.00 C ATOM 568 CE1 TYR A 39 -1.610 8.288 5.290 1.00 0.00 C ATOM 569 CE2 TYR A 39 0.529 8.822 6.213 1.00 0.00 C ATOM 570 CZ TYR A 39 -0.834 9.016 6.165 1.00 0.00 C ATOM 571 OH TYR A 39 -1.422 9.942 6.993 1.00 0.00 O ATOM 0 H TYR A 39 2.353 4.388 5.125 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.412 4.597 4.099 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.072 6.269 3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.664 6.330 2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.628 6.792 3.778 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.185 7.744 5.414 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.678 8.442 5.254 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.135 9.393 6.901 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.735 10.367 7.548 1.00 0.00 H new ATOM 581 N TYR A 40 0.313 3.847 1.695 1.00 0.00 N ATOM 582 CA TYR A 40 0.605 3.077 0.503 1.00 0.00 C ATOM 583 C TYR A 40 1.342 3.932 -0.510 1.00 0.00 C ATOM 584 O TYR A 40 1.062 5.117 -0.660 1.00 0.00 O ATOM 585 CB TYR A 40 -0.678 2.516 -0.112 1.00 0.00 C ATOM 586 CG TYR A 40 -1.273 1.390 0.695 1.00 0.00 C ATOM 587 CD1 TYR A 40 -2.098 1.647 1.778 1.00 0.00 C ATOM 588 CD2 TYR A 40 -0.995 0.068 0.379 1.00 0.00 C ATOM 589 CE1 TYR A 40 -2.630 0.617 2.527 1.00 0.00 C ATOM 590 CE2 TYR A 40 -1.524 -0.967 1.121 1.00 0.00 C ATOM 591 CZ TYR A 40 -2.339 -0.688 2.195 1.00 0.00 C ATOM 592 OH TYR A 40 -2.864 -1.718 2.933 1.00 0.00 O ATOM 0 H TYR A 40 -0.512 4.442 1.618 1.00 0.00 H new ATOM 0 HA TYR A 40 1.242 2.240 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.411 3.317 -0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.466 2.161 -1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.328 2.669 2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.354 -0.154 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.271 0.833 3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.300 -1.991 0.861 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.535 -2.572 2.583 1.00 0.00 H new ATOM 602 N TYR A 41 2.282 3.319 -1.190 1.00 0.00 N ATOM 603 CA TYR A 41 3.123 3.998 -2.142 1.00 0.00 C ATOM 604 C TYR A 41 2.889 3.428 -3.531 1.00 0.00 C ATOM 605 O TYR A 41 3.084 2.235 -3.763 1.00 0.00 O ATOM 606 CB TYR A 41 4.587 3.827 -1.728 1.00 0.00 C ATOM 607 CG TYR A 41 5.577 4.461 -2.672 1.00 0.00 C ATOM 608 CD1 TYR A 41 6.441 3.676 -3.419 1.00 0.00 C ATOM 609 CD2 TYR A 41 5.648 5.839 -2.814 1.00 0.00 C ATOM 610 CE1 TYR A 41 7.354 4.245 -4.281 1.00 0.00 C ATOM 611 CE2 TYR A 41 6.556 6.419 -3.675 1.00 0.00 C ATOM 612 CZ TYR A 41 7.408 5.617 -4.408 1.00 0.00 C ATOM 613 OH TYR A 41 8.322 6.186 -5.265 1.00 0.00 O ATOM 0 H TYR A 41 2.485 2.324 -1.095 1.00 0.00 H new ATOM 0 HA TYR A 41 2.881 5.061 -2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.724 4.255 -0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.808 2.763 -1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.398 2.601 -3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.982 6.467 -2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.023 3.620 -4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.600 7.493 -3.775 1.00 0.00 H new ATOM 0 HH TYR A 41 8.231 7.161 -5.240 1.00 0.00 H new ATOM 623 N ASN A 42 2.436 4.270 -4.438 1.00 0.00 N ATOM 624 CA ASN A 42 2.246 3.856 -5.817 1.00 0.00 C ATOM 625 C ASN A 42 3.592 3.864 -6.518 1.00 0.00 C ATOM 626 O ASN A 42 4.196 4.917 -6.685 1.00 0.00 O ATOM 627 CB ASN A 42 1.266 4.790 -6.534 1.00 0.00 C ATOM 628 CG ASN A 42 0.789 4.229 -7.863 1.00 0.00 C ATOM 629 OD1 ASN A 42 1.524 3.534 -8.564 1.00 0.00 O ATOM 630 ND2 ASN A 42 -0.456 4.521 -8.209 1.00 0.00 N ATOM 0 H ASN A 42 2.193 5.242 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 42 1.824 2.851 -5.839 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.405 4.971 -5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.746 5.754 -6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.838 4.166 -9.085 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.032 5.101 -7.599 1.00 0.00 H new ATOM 637 N SER A 43 4.069 2.696 -6.917 1.00 0.00 N ATOM 638 CA SER A 43 5.402 2.589 -7.493 1.00 0.00 C ATOM 639 C SER A 43 5.430 3.139 -8.921 1.00 0.00 C ATOM 640 O SER A 43 6.500 3.373 -9.484 1.00 0.00 O ATOM 641 CB SER A 43 5.883 1.137 -7.471 1.00 0.00 C ATOM 642 OG SER A 43 7.295 1.070 -7.596 1.00 0.00 O ATOM 0 H SER A 43 3.559 1.815 -6.854 1.00 0.00 H new ATOM 0 HA SER A 43 6.079 3.189 -6.885 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.573 0.661 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.415 0.582 -8.284 1.00 0.00 H new ATOM 0 HG SER A 43 7.603 1.774 -8.204 1.00 0.00 H new ATOM 648 N LEU A 44 4.255 3.356 -9.499 1.00 0.00 N ATOM 649 CA LEU A 44 4.168 3.879 -10.853 1.00 0.00 C ATOM 650 C LEU A 44 4.191 5.406 -10.851 1.00 0.00 C ATOM 651 O LEU A 44 4.981 6.025 -11.564 1.00 0.00 O ATOM 652 CB LEU A 44 2.893 3.378 -11.533 1.00 0.00 C ATOM 653 CG LEU A 44 2.704 3.837 -12.979 1.00 0.00 C ATOM 654 CD1 LEU A 44 3.800 3.269 -13.870 1.00 0.00 C ATOM 655 CD2 LEU A 44 1.332 3.425 -13.491 1.00 0.00 C ATOM 0 H LEU A 44 3.355 3.179 -9.053 1.00 0.00 H new ATOM 0 HA LEU A 44 5.034 3.522 -11.410 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.893 2.288 -11.511 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.034 3.708 -10.948 1.00 0.00 H new ATOM 0 HG LEU A 44 2.771 4.925 -13.007 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.648 3.607 -14.895 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.772 3.612 -13.515 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.767 2.180 -13.839 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.213 3.759 -14.522 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.238 2.340 -13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.560 3.880 -12.871 1.00 0.00 H new ATOM 667 N THR A 45 3.330 6.003 -10.038 1.00 0.00 N ATOM 668 CA THR A 45 3.185 7.452 -10.009 1.00 0.00 C ATOM 669 C THR A 45 4.014 8.077 -8.895 1.00 0.00 C ATOM 670 O THR A 45 4.209 9.292 -8.857 1.00 0.00 O ATOM 671 CB THR A 45 1.708 7.850 -9.830 1.00 0.00 C ATOM 672 OG1 THR A 45 1.147 7.158 -8.712 1.00 0.00 O ATOM 673 CG2 THR A 45 0.903 7.532 -11.082 1.00 0.00 C ATOM 0 H THR A 45 2.721 5.505 -9.389 1.00 0.00 H new ATOM 0 HA THR A 45 3.549 7.828 -10.965 1.00 0.00 H new ATOM 0 HB THR A 45 1.665 8.925 -9.653 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.292 7.570 -8.468 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.136 7.822 -10.930 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.314 8.083 -11.928 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.955 6.462 -11.286 1.00 0.00 H new ATOM 681 N GLN A 46 4.494 7.226 -7.992 1.00 0.00 N ATOM 682 CA GLN A 46 5.349 7.640 -6.882 1.00 0.00 C ATOM 683 C GLN A 46 4.598 8.548 -5.915 1.00 0.00 C ATOM 684 O GLN A 46 5.167 9.472 -5.331 1.00 0.00 O ATOM 685 CB GLN A 46 6.615 8.316 -7.411 1.00 0.00 C ATOM 686 CG GLN A 46 7.437 7.398 -8.300 1.00 0.00 C ATOM 687 CD GLN A 46 8.622 8.095 -8.928 1.00 0.00 C ATOM 688 OE1 GLN A 46 9.168 9.047 -8.375 1.00 0.00 O ATOM 689 NE2 GLN A 46 9.044 7.610 -10.080 1.00 0.00 N ATOM 0 H GLN A 46 4.300 6.225 -8.009 1.00 0.00 H new ATOM 0 HA GLN A 46 5.644 6.750 -6.326 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.339 9.208 -7.973 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.226 8.645 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.790 6.551 -7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.799 6.996 -9.087 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.563 6.818 -10.507 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.851 8.027 -10.544 1.00 0.00 H new ATOM 698 N GLN A 47 3.314 8.261 -5.745 1.00 0.00 N ATOM 699 CA GLN A 47 2.465 9.013 -4.833 1.00 0.00 C ATOM 700 C GLN A 47 2.145 8.172 -3.607 1.00 0.00 C ATOM 701 O GLN A 47 2.484 6.987 -3.548 1.00 0.00 O ATOM 702 CB GLN A 47 1.158 9.408 -5.526 1.00 0.00 C ATOM 703 CG GLN A 47 0.242 8.227 -5.806 1.00 0.00 C ATOM 704 CD GLN A 47 -1.000 8.613 -6.577 1.00 0.00 C ATOM 705 OE1 GLN A 47 -1.022 8.560 -7.805 1.00 0.00 O ATOM 706 NE2 GLN A 47 -2.037 9.010 -5.863 1.00 0.00 N ATOM 0 H GLN A 47 2.835 7.504 -6.233 1.00 0.00 H new ATOM 0 HA GLN A 47 2.998 9.914 -4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.629 10.129 -4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.391 9.909 -6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.792 7.473 -6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.051 7.769 -4.861 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.975 9.039 -4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.901 9.288 -6.329 1.00 0.00 H new ATOM 715 N TYR A 48 1.470 8.783 -2.647 1.00 0.00 N ATOM 716 CA TYR A 48 1.073 8.095 -1.433 1.00 0.00 C ATOM 717 C TYR A 48 -0.440 8.021 -1.321 1.00 0.00 C ATOM 718 O TYR A 48 -1.155 8.934 -1.733 1.00 0.00 O ATOM 719 CB TYR A 48 1.661 8.781 -0.203 1.00 0.00 C ATOM 720 CG TYR A 48 3.090 8.381 0.080 1.00 0.00 C ATOM 721 CD1 TYR A 48 3.380 7.456 1.073 1.00 0.00 C ATOM 722 CD2 TYR A 48 4.145 8.918 -0.647 1.00 0.00 C ATOM 723 CE1 TYR A 48 4.680 7.077 1.338 1.00 0.00 C ATOM 724 CE2 TYR A 48 5.451 8.543 -0.386 1.00 0.00 C ATOM 725 CZ TYR A 48 5.711 7.623 0.608 1.00 0.00 C ATOM 726 OH TYR A 48 7.011 7.248 0.868 1.00 0.00 O ATOM 0 H TYR A 48 1.185 9.761 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 48 1.465 7.079 -1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.614 9.861 -0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.046 8.544 0.665 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.574 7.025 1.648 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.943 9.638 -1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.887 6.355 2.114 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.263 8.968 -0.958 1.00 0.00 H new ATOM 0 HH TYR A 48 7.616 7.726 0.263 1.00 0.00 H new ATOM 736 N LEU A 49 -0.914 6.927 -0.757 1.00 0.00 N ATOM 737 CA LEU A 49 -2.337 6.674 -0.614 1.00 0.00 C ATOM 738 C LEU A 49 -2.606 6.082 0.755 1.00 0.00 C ATOM 739 O LEU A 49 -1.674 5.725 1.469 1.00 0.00 O ATOM 740 CB LEU A 49 -2.807 5.693 -1.691 1.00 0.00 C ATOM 741 CG LEU A 49 -2.615 6.171 -3.129 1.00 0.00 C ATOM 742 CD1 LEU A 49 -2.516 4.999 -4.091 1.00 0.00 C ATOM 743 CD2 LEU A 49 -3.763 7.077 -3.525 1.00 0.00 C ATOM 0 H LEU A 49 -0.322 6.185 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.879 7.613 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.272 4.752 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.865 5.482 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.679 6.727 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.380 5.372 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.666 4.374 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.431 4.409 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.622 7.416 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.702 6.529 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.792 7.940 -2.859 1.00 0.00 H new ATOM 755 N TYR A 50 -3.866 5.978 1.122 1.00 0.00 N ATOM 756 CA TYR A 50 -4.232 5.283 2.340 1.00 0.00 C ATOM 757 C TYR A 50 -5.591 4.635 2.165 1.00 0.00 C ATOM 758 O TYR A 50 -6.446 5.152 1.441 1.00 0.00 O ATOM 759 CB TYR A 50 -4.220 6.226 3.557 1.00 0.00 C ATOM 760 CG TYR A 50 -5.317 7.272 3.580 1.00 0.00 C ATOM 761 CD1 TYR A 50 -5.196 8.459 2.869 1.00 0.00 C ATOM 762 CD2 TYR A 50 -6.464 7.075 4.341 1.00 0.00 C ATOM 763 CE1 TYR A 50 -6.190 9.421 2.913 1.00 0.00 C ATOM 764 CE2 TYR A 50 -7.462 8.027 4.387 1.00 0.00 C ATOM 765 CZ TYR A 50 -7.322 9.200 3.673 1.00 0.00 C ATOM 766 OH TYR A 50 -8.316 10.152 3.716 1.00 0.00 O ATOM 0 H TYR A 50 -4.651 6.364 0.598 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.490 4.508 2.533 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.296 5.624 4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.256 6.734 3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.313 8.634 2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.576 6.161 4.906 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.081 10.340 2.356 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.349 7.855 4.979 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.043 9.840 4.295 1.00 0.00 H new ATOM 776 N TRP A 51 -5.772 3.489 2.795 1.00 0.00 N ATOM 777 CA TRP A 51 -7.021 2.763 2.690 1.00 0.00 C ATOM 778 C TRP A 51 -8.047 3.319 3.658 1.00 0.00 C ATOM 779 O TRP A 51 -7.882 3.231 4.876 1.00 0.00 O ATOM 780 CB TRP A 51 -6.817 1.270 2.960 1.00 0.00 C ATOM 781 CG TRP A 51 -8.111 0.511 2.989 1.00 0.00 C ATOM 782 CD1 TRP A 51 -8.763 0.030 4.092 1.00 0.00 C ATOM 783 CD2 TRP A 51 -8.925 0.169 1.866 1.00 0.00 C ATOM 784 NE1 TRP A 51 -9.926 -0.592 3.715 1.00 0.00 N ATOM 785 CE2 TRP A 51 -10.048 -0.520 2.357 1.00 0.00 C ATOM 786 CE3 TRP A 51 -8.812 0.376 0.490 1.00 0.00 C ATOM 787 CZ2 TRP A 51 -11.050 -1.000 1.522 1.00 0.00 C ATOM 788 CZ3 TRP A 51 -9.807 -0.101 -0.339 1.00 0.00 C ATOM 789 CH2 TRP A 51 -10.913 -0.781 0.180 1.00 0.00 C ATOM 0 H TRP A 51 -5.069 3.042 3.384 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.387 2.886 1.671 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.170 0.850 2.190 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.303 1.143 3.913 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.413 0.126 5.109 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.592 -1.036 4.347 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.961 0.900 0.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -11.905 -1.527 1.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.730 0.053 -1.405 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -11.676 -1.141 -0.494 1.00 0.00 H new ATOM 800 N ASP A 52 -9.103 3.891 3.114 1.00 0.00 N ATOM 801 CA ASP A 52 -10.207 4.356 3.929 1.00 0.00 C ATOM 802 C ASP A 52 -11.317 3.311 3.919 1.00 0.00 C ATOM 803 O ASP A 52 -11.837 2.952 2.860 1.00 0.00 O ATOM 804 CB ASP A 52 -10.723 5.710 3.432 1.00 0.00 C ATOM 805 CG ASP A 52 -11.802 6.277 4.331 1.00 0.00 C ATOM 806 OD1 ASP A 52 -12.953 5.803 4.260 1.00 0.00 O ATOM 807 OD2 ASP A 52 -11.499 7.202 5.119 1.00 0.00 O ATOM 0 H ASP A 52 -9.220 4.045 2.112 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.860 4.496 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.893 6.414 3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.116 5.598 2.422 1.00 0.00 H new ATOM 812 N GLY A 53 -11.665 2.824 5.101 1.00 0.00 N ATOM 813 CA GLY A 53 -12.594 1.714 5.214 1.00 0.00 C ATOM 814 C GLY A 53 -14.036 2.115 4.990 1.00 0.00 C ATOM 815 O GLY A 53 -14.887 1.266 4.718 1.00 0.00 O ATOM 0 H GLY A 53 -11.318 3.180 5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.321 0.946 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.498 1.268 6.204 1.00 0.00 H new ATOM 819 N GLU A 54 -14.317 3.404 5.094 1.00 0.00 N ATOM 820 CA GLU A 54 -15.673 3.896 4.923 1.00 0.00 C ATOM 821 C GLU A 54 -15.946 4.162 3.450 1.00 0.00 C ATOM 822 O GLU A 54 -17.026 3.861 2.937 1.00 0.00 O ATOM 823 CB GLU A 54 -15.889 5.169 5.748 1.00 0.00 C ATOM 824 CG GLU A 54 -17.314 5.694 5.696 1.00 0.00 C ATOM 825 CD GLU A 54 -17.518 6.921 6.557 1.00 0.00 C ATOM 826 OE1 GLU A 54 -17.433 8.049 6.025 1.00 0.00 O ATOM 827 OE2 GLU A 54 -17.769 6.767 7.771 1.00 0.00 O ATOM 0 H GLU A 54 -13.626 4.126 5.296 1.00 0.00 H new ATOM 0 HA GLU A 54 -16.370 3.137 5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -15.622 4.969 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -15.212 5.944 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.571 5.933 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -17.998 4.910 6.021 1.00 0.00 H new ATOM 834 N LYS A 55 -14.957 4.719 2.766 1.00 0.00 N ATOM 835 CA LYS A 55 -15.105 5.059 1.356 1.00 0.00 C ATOM 836 C LYS A 55 -14.705 3.894 0.452 1.00 0.00 C ATOM 837 O LYS A 55 -14.949 3.921 -0.757 1.00 0.00 O ATOM 838 CB LYS A 55 -14.287 6.308 1.013 1.00 0.00 C ATOM 839 CG LYS A 55 -14.584 7.497 1.919 1.00 0.00 C ATOM 840 CD LYS A 55 -16.068 7.839 1.944 1.00 0.00 C ATOM 841 CE LYS A 55 -16.544 8.385 0.609 1.00 0.00 C ATOM 842 NZ LYS A 55 -16.007 9.745 0.333 1.00 0.00 N ATOM 0 H LYS A 55 -14.045 4.945 3.162 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.159 5.271 1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.226 6.067 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.486 6.590 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.246 7.275 2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.018 8.364 1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.642 6.948 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.258 8.574 2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.239 7.707 -0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.633 8.418 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.475 10.139 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.188 10.362 1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.983 9.686 0.164 1.00 0.00 H new ATOM 856 N GLU A 56 -14.084 2.879 1.061 1.00 0.00 N ATOM 857 CA GLU A 56 -13.743 1.626 0.380 1.00 0.00 C ATOM 858 C GLU A 56 -12.795 1.858 -0.792 1.00 0.00 C ATOM 859 O GLU A 56 -12.939 1.237 -1.845 1.00 0.00 O ATOM 860 CB GLU A 56 -15.012 0.925 -0.111 1.00 0.00 C ATOM 861 CG GLU A 56 -15.907 0.427 1.009 1.00 0.00 C ATOM 862 CD GLU A 56 -17.265 -0.009 0.510 1.00 0.00 C ATOM 863 OE1 GLU A 56 -18.263 0.674 0.822 1.00 0.00 O ATOM 864 OE2 GLU A 56 -17.343 -1.030 -0.204 1.00 0.00 O ATOM 0 H GLU A 56 -13.803 2.903 2.041 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.233 0.990 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.578 1.615 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.730 0.081 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.422 -0.409 1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.031 1.217 1.750 1.00 0.00 H new ATOM 871 N THR A 57 -11.818 2.732 -0.605 1.00 0.00 N ATOM 872 CA THR A 57 -10.913 3.089 -1.685 1.00 0.00 C ATOM 873 C THR A 57 -9.577 3.595 -1.138 1.00 0.00 C ATOM 874 O THR A 57 -9.506 4.103 -0.013 1.00 0.00 O ATOM 875 CB THR A 57 -11.558 4.163 -2.597 1.00 0.00 C ATOM 876 OG1 THR A 57 -10.701 4.482 -3.700 1.00 0.00 O ATOM 877 CG2 THR A 57 -11.867 5.431 -1.815 1.00 0.00 C ATOM 0 H THR A 57 -11.632 3.205 0.280 1.00 0.00 H new ATOM 0 HA THR A 57 -10.722 2.192 -2.275 1.00 0.00 H new ATOM 0 HB THR A 57 -12.490 3.746 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.130 5.160 -4.262 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.319 6.167 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 57 -12.559 5.200 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.944 5.836 -1.399 1.00 0.00 H new ATOM 885 N TYR A 58 -8.518 3.419 -1.926 1.00 0.00 N ATOM 886 CA TYR A 58 -7.213 3.974 -1.592 1.00 0.00 C ATOM 887 C TYR A 58 -7.170 5.422 -2.044 1.00 0.00 C ATOM 888 O TYR A 58 -7.073 5.710 -3.236 1.00 0.00 O ATOM 889 CB TYR A 58 -6.074 3.194 -2.261 1.00 0.00 C ATOM 890 CG TYR A 58 -6.117 1.704 -2.010 1.00 0.00 C ATOM 891 CD1 TYR A 58 -6.792 0.854 -2.877 1.00 0.00 C ATOM 892 CD2 TYR A 58 -5.478 1.148 -0.908 1.00 0.00 C ATOM 893 CE1 TYR A 58 -6.832 -0.507 -2.653 1.00 0.00 C ATOM 894 CE2 TYR A 58 -5.513 -0.214 -0.678 1.00 0.00 C ATOM 895 CZ TYR A 58 -6.191 -1.037 -1.553 1.00 0.00 C ATOM 896 OH TYR A 58 -6.232 -2.394 -1.329 1.00 0.00 O ATOM 0 H TYR A 58 -8.541 2.895 -2.801 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.073 3.901 -0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.108 3.372 -3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.121 3.585 -1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.294 1.265 -3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.946 1.790 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.363 -1.154 -3.336 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.012 -0.632 0.183 1.00 0.00 H new ATOM 0 HH TYR A 58 -5.731 -2.606 -0.514 1.00 0.00 H new ATOM 906 N VAL A 59 -7.243 6.322 -1.088 1.00 0.00 N ATOM 907 CA VAL A 59 -7.367 7.738 -1.377 1.00 0.00 C ATOM 908 C VAL A 59 -6.024 8.436 -1.213 1.00 0.00 C ATOM 909 O VAL A 59 -5.268 8.133 -0.288 1.00 0.00 O ATOM 910 CB VAL A 59 -8.439 8.404 -0.483 1.00 0.00 C ATOM 911 CG1 VAL A 59 -9.802 8.344 -1.153 1.00 0.00 C ATOM 912 CG2 VAL A 59 -8.501 7.731 0.880 1.00 0.00 C ATOM 0 H VAL A 59 -7.218 6.097 -0.093 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.688 7.840 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.159 9.448 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.544 8.817 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.762 8.868 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.079 7.303 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.262 8.216 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.754 6.678 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.532 7.816 1.372 1.00 0.00 H new ATOM 922 N PRO A 60 -5.699 9.348 -2.146 1.00 0.00 N ATOM 923 CA PRO A 60 -4.407 10.036 -2.178 1.00 0.00 C ATOM 924 C PRO A 60 -4.112 10.796 -0.901 1.00 0.00 C ATOM 925 O PRO A 60 -4.871 11.679 -0.492 1.00 0.00 O ATOM 926 CB PRO A 60 -4.534 11.003 -3.357 1.00 0.00 C ATOM 927 CG PRO A 60 -5.619 10.438 -4.203 1.00 0.00 C ATOM 928 CD PRO A 60 -6.567 9.766 -3.256 1.00 0.00 C ATOM 0 HA PRO A 60 -3.585 9.328 -2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.781 12.009 -3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.598 11.075 -3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.122 11.222 -4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.220 9.728 -4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.349 10.446 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.063 8.914 -3.721 1.00 0.00 H new ATOM 936 N ALA A 61 -2.993 10.454 -0.290 1.00 0.00 N ATOM 937 CA ALA A 61 -2.556 11.096 0.936 1.00 0.00 C ATOM 938 C ALA A 61 -1.828 12.393 0.611 1.00 0.00 C ATOM 939 O ALA A 61 -0.616 12.510 0.801 1.00 0.00 O ATOM 940 CB ALA A 61 -1.665 10.159 1.742 1.00 0.00 C ATOM 0 H ALA A 61 -2.363 9.726 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.430 11.332 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.347 10.657 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.221 9.256 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.789 9.892 1.151 1.00 0.00 H new