USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 57 ASN : amide:sc= 0.352 K(o=0.81,f=-4.2!) USER MOD Set 1.2: A 59 SER OG : rot -78:sc= 0.461 USER MOD Set 2.1: A 38 CYS SG : rot -145:sc= -0.463 USER MOD Set 2.2: A 42 CYS SG : rot 67:sc= 1.29 USER MOD Set 2.3: A 69 CYS SG : rot 170:sc= -0.215 USER MOD Set 2.4: A 72 CYS SG : rot -160:sc= -0.322 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.816 X(o=-0.82,f=-0.51) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -43:sc= 0.462 USER MOD Single : A 46 HIS : no HE2:sc= -1.04 K(o=-1,f=-3.6!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 80:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0453) USER MOD Single : A 73 GLN : amide:sc= -0.514 K(o=-0.51,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 9 -14.293 -2.181 -3.457 1.00 0.00 N ATOM 132 CA ASP A 9 -13.055 -2.241 -4.248 1.00 0.00 C ATOM 133 C ASP A 9 -13.145 -1.342 -5.500 1.00 0.00 C ATOM 134 O ASP A 9 -12.119 -0.927 -6.041 1.00 0.00 O ATOM 135 CB ASP A 9 -12.757 -3.705 -4.630 1.00 0.00 C ATOM 136 CG ASP A 9 -13.130 -4.702 -3.525 1.00 0.00 C ATOM 137 OD1 ASP A 9 -12.557 -4.575 -2.420 1.00 0.00 O ATOM 138 OD2 ASP A 9 -13.983 -5.576 -3.800 1.00 0.00 O ATOM 0 HA ASP A 9 -12.232 -1.861 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.305 -3.956 -5.538 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.696 -3.806 -4.860 1.00 0.00 H new ATOM 143 N ASP A 10 -14.377 -1.029 -5.944 1.00 0.00 N ATOM 144 CA ASP A 10 -14.688 0.026 -6.921 1.00 0.00 C ATOM 145 C ASP A 10 -13.904 1.318 -6.611 1.00 0.00 C ATOM 146 O ASP A 10 -12.916 1.654 -7.273 1.00 0.00 O ATOM 147 CB ASP A 10 -16.214 0.274 -6.933 1.00 0.00 C ATOM 148 CG ASP A 10 -16.957 -0.562 -7.982 1.00 0.00 C ATOM 149 OD1 ASP A 10 -16.896 -0.176 -9.170 1.00 0.00 O ATOM 150 OD2 ASP A 10 -17.567 -1.578 -7.582 1.00 0.00 O ATOM 0 H ASP A 10 -15.210 -1.521 -5.620 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.378 -0.299 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.619 0.049 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.402 1.331 -7.122 1.00 0.00 H new ATOM 155 N GLN A 11 -14.361 2.077 -5.590 1.00 0.00 N ATOM 156 CA GLN A 11 -13.889 3.437 -5.299 1.00 0.00 C ATOM 157 C GLN A 11 -12.503 3.402 -4.622 1.00 0.00 C ATOM 158 O GLN A 11 -11.763 4.385 -4.683 1.00 0.00 O ATOM 159 CB GLN A 11 -14.928 4.156 -4.411 1.00 0.00 C ATOM 160 CG GLN A 11 -15.210 5.606 -4.845 1.00 0.00 C ATOM 161 CD GLN A 11 -15.965 6.452 -3.809 1.00 0.00 C ATOM 162 OE1 GLN A 11 -17.074 6.908 -4.082 1.00 0.00 O ATOM 163 NE2 GLN A 11 -15.385 6.681 -2.627 1.00 0.00 N ATOM 0 H GLN A 11 -15.077 1.752 -4.940 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.779 3.990 -6.232 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.861 3.592 -4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.575 4.156 -3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.262 6.094 -5.071 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.787 5.588 -5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.464 6.291 -2.427 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.863 7.246 -1.925 1.00 0.00 H new ATOM 172 N ARG A 12 -12.137 2.264 -3.998 1.00 0.00 N ATOM 173 CA ARG A 12 -10.751 1.901 -3.667 1.00 0.00 C ATOM 174 C ARG A 12 -9.812 2.243 -4.849 1.00 0.00 C ATOM 175 O ARG A 12 -8.858 3.010 -4.738 1.00 0.00 O ATOM 176 CB ARG A 12 -10.677 0.395 -3.353 1.00 0.00 C ATOM 177 CG ARG A 12 -11.082 0.050 -1.913 1.00 0.00 C ATOM 178 CD ARG A 12 -10.198 0.752 -0.876 1.00 0.00 C ATOM 179 NE ARG A 12 -10.891 1.915 -0.296 1.00 0.00 N ATOM 180 CZ ARG A 12 -10.572 2.531 0.856 1.00 0.00 C ATOM 181 NH1 ARG A 12 -9.576 2.085 1.638 1.00 0.00 N ATOM 182 NH2 ARG A 12 -11.267 3.614 1.235 1.00 0.00 N ATOM 0 H ARG A 12 -12.814 1.559 -3.705 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.431 2.469 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.325 -0.144 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.660 0.044 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.122 0.334 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.020 -1.029 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.931 0.051 -0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.268 1.074 -1.344 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.686 2.287 -0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.042 1.261 1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.354 2.570 2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.028 3.962 0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.034 4.090 2.107 1.00 0.00 H new ATOM 196 N TRP A 13 -10.148 1.643 -6.025 1.00 0.00 N ATOM 197 CA TRP A 13 -9.450 1.898 -7.290 1.00 0.00 C ATOM 198 C TRP A 13 -9.750 3.312 -7.829 1.00 0.00 C ATOM 199 O TRP A 13 -9.003 3.824 -8.665 1.00 0.00 O ATOM 200 CB TRP A 13 -9.800 0.827 -8.350 1.00 0.00 C ATOM 201 CG TRP A 13 -8.829 0.779 -9.501 1.00 0.00 C ATOM 202 CD1 TRP A 13 -9.076 1.154 -10.777 1.00 0.00 C ATOM 203 CD2 TRP A 13 -7.417 0.403 -9.464 1.00 0.00 C ATOM 204 NE1 TRP A 13 -7.924 1.065 -11.529 1.00 0.00 N ATOM 205 CE2 TRP A 13 -6.863 0.614 -10.769 1.00 0.00 C ATOM 206 CE3 TRP A 13 -6.545 -0.101 -8.469 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -5.505 0.385 -11.051 1.00 0.00 C ATOM 208 CZ3 TRP A 13 -5.205 -0.438 -8.773 1.00 0.00 C ATOM 209 CH2 TRP A 13 -4.680 -0.176 -10.055 1.00 0.00 C ATOM 0 H TRP A 13 -10.911 0.972 -6.109 1.00 0.00 H new ATOM 0 HA TRP A 13 -8.381 1.838 -7.085 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -9.830 -0.151 -7.870 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -10.800 1.024 -8.737 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.036 1.476 -11.152 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.863 1.302 -12.519 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.909 -0.230 -7.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.098 0.636 -12.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -4.582 -0.898 -8.020 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.647 -0.405 -10.274 1.00 0.00 H new ATOM 220 N GLN A 14 -10.834 3.960 -7.341 1.00 0.00 N ATOM 221 CA GLN A 14 -11.090 5.395 -7.575 1.00 0.00 C ATOM 222 C GLN A 14 -9.998 6.258 -6.908 1.00 0.00 C ATOM 223 O GLN A 14 -9.342 7.055 -7.585 1.00 0.00 O ATOM 224 CB GLN A 14 -12.498 5.767 -7.066 1.00 0.00 C ATOM 225 CG GLN A 14 -13.300 6.634 -8.059 1.00 0.00 C ATOM 226 CD GLN A 14 -12.952 8.130 -8.051 1.00 0.00 C ATOM 227 OE1 GLN A 14 -13.180 8.803 -7.047 1.00 0.00 O ATOM 228 NE2 GLN A 14 -12.415 8.673 -9.148 1.00 0.00 N ATOM 0 H GLN A 14 -11.550 3.503 -6.777 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.053 5.595 -8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.055 4.853 -6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.405 6.302 -6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.142 6.246 -9.065 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.362 6.523 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.235 8.094 -9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.185 9.667 -9.165 1.00 0.00 H new ATOM 237 N SER A 15 -9.798 6.105 -5.584 1.00 0.00 N ATOM 238 CA SER A 15 -8.684 6.707 -4.827 1.00 0.00 C ATOM 239 C SER A 15 -7.306 6.454 -5.493 1.00 0.00 C ATOM 240 O SER A 15 -6.441 7.329 -5.509 1.00 0.00 O ATOM 241 CB SER A 15 -8.699 6.199 -3.373 1.00 0.00 C ATOM 242 OG SER A 15 -9.806 6.701 -2.650 1.00 0.00 O ATOM 0 H SER A 15 -10.420 5.547 -4.999 1.00 0.00 H new ATOM 0 HA SER A 15 -8.832 7.787 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.727 5.109 -3.370 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.776 6.496 -2.875 1.00 0.00 H new ATOM 0 HG SER A 15 -9.782 6.355 -1.733 1.00 0.00 H new ATOM 248 N VAL A 16 -7.141 5.237 -6.054 1.00 0.00 N ATOM 249 CA VAL A 16 -5.885 4.684 -6.577 1.00 0.00 C ATOM 250 C VAL A 16 -5.719 5.044 -8.070 1.00 0.00 C ATOM 251 O VAL A 16 -4.589 5.102 -8.567 1.00 0.00 O ATOM 252 CB VAL A 16 -5.850 3.147 -6.364 1.00 0.00 C ATOM 253 CG1 VAL A 16 -4.956 2.438 -7.400 1.00 0.00 C ATOM 254 CG2 VAL A 16 -5.342 2.760 -4.963 1.00 0.00 C ATOM 0 H VAL A 16 -7.920 4.587 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.049 5.123 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.884 2.822 -6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.962 1.364 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.336 2.633 -8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.936 2.815 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.337 1.674 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.331 3.142 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.999 3.189 -4.206 1.00 0.00 H new ATOM 264 N LEU A 17 -6.833 5.277 -8.790 1.00 0.00 N ATOM 265 CA LEU A 17 -6.868 5.876 -10.132 1.00 0.00 C ATOM 266 C LEU A 17 -6.618 7.399 -10.056 1.00 0.00 C ATOM 267 O LEU A 17 -5.943 7.967 -10.915 1.00 0.00 O ATOM 268 CB LEU A 17 -8.234 5.604 -10.800 1.00 0.00 C ATOM 269 CG LEU A 17 -8.344 4.256 -11.544 1.00 0.00 C ATOM 270 CD1 LEU A 17 -9.672 4.210 -12.316 1.00 0.00 C ATOM 271 CD2 LEU A 17 -7.182 4.041 -12.528 1.00 0.00 C ATOM 0 H LEU A 17 -7.762 5.045 -8.439 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.078 5.422 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.009 5.643 -10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.442 6.408 -11.505 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.302 3.462 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.754 3.259 -12.843 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.503 4.310 -11.617 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.703 5.028 -13.036 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.302 3.080 -13.028 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.182 4.839 -13.271 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.238 4.052 -11.984 1.00 0.00 H new ATOM 283 N ALA A 18 -7.154 8.043 -9.000 1.00 0.00 N ATOM 284 CA ALA A 18 -6.768 9.374 -8.515 1.00 0.00 C ATOM 285 C ALA A 18 -5.273 9.394 -8.113 1.00 0.00 C ATOM 286 O ALA A 18 -4.677 10.462 -7.981 1.00 0.00 O ATOM 287 CB ALA A 18 -7.652 9.782 -7.325 1.00 0.00 C ATOM 0 H ALA A 18 -7.899 7.628 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.914 10.094 -9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.356 10.771 -6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.696 9.805 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.532 9.060 -6.518 1.00 0.00 H new ATOM 293 N ARG A 19 -4.692 8.187 -7.939 1.00 0.00 N ATOM 294 CA ARG A 19 -3.253 7.938 -7.775 1.00 0.00 C ATOM 295 C ARG A 19 -2.702 8.740 -6.570 1.00 0.00 C ATOM 296 O ARG A 19 -1.583 9.248 -6.607 1.00 0.00 O ATOM 297 CB ARG A 19 -2.493 8.240 -9.083 1.00 0.00 C ATOM 298 CG ARG A 19 -2.439 9.734 -9.443 1.00 0.00 C ATOM 299 CD ARG A 19 -1.351 10.003 -10.492 1.00 0.00 C ATOM 300 NE ARG A 19 -1.630 9.300 -11.753 1.00 0.00 N ATOM 301 CZ ARG A 19 -2.469 9.723 -12.718 1.00 0.00 C ATOM 302 NH1 ARG A 19 -3.151 10.874 -12.598 1.00 0.00 N ATOM 303 NH2 ARG A 19 -2.628 8.981 -13.824 1.00 0.00 N ATOM 0 H ARG A 19 -5.240 7.327 -7.909 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.097 6.881 -7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.475 7.861 -8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.967 7.696 -9.900 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.407 10.056 -9.826 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.240 10.322 -8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.282 11.075 -10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.384 9.685 -10.104 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.146 8.416 -11.910 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.039 11.448 -11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.781 11.174 -13.342 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.116 8.105 -13.928 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.261 9.293 -14.561 1.00 0.00 H new ATOM 317 N ASP A 20 -3.536 8.859 -5.515 1.00 0.00 N ATOM 318 CA ASP A 20 -3.414 9.837 -4.427 1.00 0.00 C ATOM 319 C ASP A 20 -2.083 9.636 -3.660 1.00 0.00 C ATOM 320 O ASP A 20 -1.975 8.677 -2.894 1.00 0.00 O ATOM 321 CB ASP A 20 -4.632 9.703 -3.486 1.00 0.00 C ATOM 322 CG ASP A 20 -4.696 10.792 -2.408 1.00 0.00 C ATOM 323 OD1 ASP A 20 -4.065 11.851 -2.620 1.00 0.00 O ATOM 324 OD2 ASP A 20 -5.383 10.551 -1.391 1.00 0.00 O ATOM 0 H ASP A 20 -4.344 8.248 -5.399 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.400 10.845 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.545 9.737 -4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.602 8.726 -3.003 1.00 0.00 H new ATOM 329 N PRO A 21 -1.052 10.486 -3.881 1.00 0.00 N ATOM 330 CA PRO A 21 0.295 10.328 -3.304 1.00 0.00 C ATOM 331 C PRO A 21 0.314 9.960 -1.800 1.00 0.00 C ATOM 332 O PRO A 21 0.816 8.913 -1.396 1.00 0.00 O ATOM 333 CB PRO A 21 0.969 11.698 -3.526 1.00 0.00 C ATOM 334 CG PRO A 21 0.384 12.138 -4.864 1.00 0.00 C ATOM 335 CD PRO A 21 -1.067 11.656 -4.757 1.00 0.00 C ATOM 0 HA PRO A 21 0.807 9.494 -3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.732 12.401 -2.728 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.055 11.615 -3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.445 13.218 -5.000 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.904 11.681 -5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.707 12.438 -4.348 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.464 11.400 -5.739 1.00 0.00 H new ATOM 343 N ASN A 22 -0.234 10.886 -0.975 1.00 0.00 N ATOM 344 CA ASN A 22 -0.159 10.906 0.490 1.00 0.00 C ATOM 345 C ASN A 22 -1.300 10.062 1.108 1.00 0.00 C ATOM 346 O ASN A 22 -1.631 10.215 2.283 1.00 0.00 O ATOM 347 CB ASN A 22 -0.236 12.362 0.996 1.00 0.00 C ATOM 348 CG ASN A 22 -0.024 12.493 2.509 1.00 0.00 C ATOM 349 OD1 ASN A 22 1.103 12.414 2.993 1.00 0.00 O ATOM 350 ND2 ASN A 22 -1.108 12.701 3.261 1.00 0.00 N ATOM 0 H ASN A 22 -0.765 11.676 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 22 0.791 10.470 0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.515 12.959 0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.209 12.778 0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.016 12.800 4.272 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.028 12.761 2.824 1.00 0.00 H new ATOM 357 N ALA A 23 -1.878 9.153 0.293 1.00 0.00 N ATOM 358 CA ALA A 23 -2.723 8.029 0.717 1.00 0.00 C ATOM 359 C ALA A 23 -1.867 6.849 1.231 1.00 0.00 C ATOM 360 O ALA A 23 -2.413 5.844 1.690 1.00 0.00 O ATOM 361 CB ALA A 23 -3.621 7.586 -0.450 1.00 0.00 C ATOM 0 H ALA A 23 -1.760 9.189 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.353 8.360 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.246 6.752 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.255 8.418 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.999 7.274 -1.289 1.00 0.00 H new ATOM 367 N ASP A 24 -0.528 6.990 1.184 1.00 0.00 N ATOM 368 CA ASP A 24 0.435 6.188 1.955 1.00 0.00 C ATOM 369 C ASP A 24 0.053 6.151 3.450 1.00 0.00 C ATOM 370 O ASP A 24 -0.246 7.189 4.044 1.00 0.00 O ATOM 371 CB ASP A 24 1.858 6.753 1.743 1.00 0.00 C ATOM 372 CG ASP A 24 1.918 8.284 1.748 1.00 0.00 C ATOM 373 OD1 ASP A 24 1.079 8.892 2.449 1.00 0.00 O ATOM 374 OD2 ASP A 24 2.808 8.827 1.056 1.00 0.00 O ATOM 0 H ASP A 24 -0.076 7.686 0.591 1.00 0.00 H new ATOM 0 HA ASP A 24 0.413 5.158 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.512 6.370 2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.248 6.386 0.794 1.00 0.00 H new ATOM 379 N GLY A 25 0.043 4.947 4.057 1.00 0.00 N ATOM 380 CA GLY A 25 -0.329 4.702 5.457 1.00 0.00 C ATOM 381 C GLY A 25 -1.854 4.553 5.639 1.00 0.00 C ATOM 382 O GLY A 25 -2.304 3.943 6.613 1.00 0.00 O ATOM 0 H GLY A 25 0.303 4.092 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.167 3.798 5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.030 5.525 6.076 1.00 0.00 H new ATOM 386 N GLU A 26 -2.651 5.122 4.715 1.00 0.00 N ATOM 387 CA GLU A 26 -4.118 5.012 4.666 1.00 0.00 C ATOM 388 C GLU A 26 -4.539 3.599 4.212 1.00 0.00 C ATOM 389 O GLU A 26 -5.458 3.001 4.773 1.00 0.00 O ATOM 390 CB GLU A 26 -4.698 6.097 3.732 1.00 0.00 C ATOM 391 CG GLU A 26 -6.074 6.606 4.204 1.00 0.00 C ATOM 392 CD GLU A 26 -6.684 7.692 3.310 1.00 0.00 C ATOM 393 OE1 GLU A 26 -7.222 7.345 2.234 1.00 0.00 O ATOM 394 OE2 GLU A 26 -6.603 8.868 3.728 1.00 0.00 O ATOM 0 H GLU A 26 -2.276 5.691 3.956 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.520 5.172 5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.003 6.935 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.790 5.693 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.763 5.763 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.976 6.998 5.217 1.00 0.00 H new ATOM 401 N PHE A 27 -3.835 3.059 3.188 1.00 0.00 N ATOM 402 CA PHE A 27 -3.894 1.647 2.786 1.00 0.00 C ATOM 403 C PHE A 27 -2.660 1.231 1.950 1.00 0.00 C ATOM 404 O PHE A 27 -1.773 2.039 1.674 1.00 0.00 O ATOM 405 CB PHE A 27 -5.178 1.379 1.973 1.00 0.00 C ATOM 406 CG PHE A 27 -5.451 2.357 0.837 1.00 0.00 C ATOM 407 CD1 PHE A 27 -4.740 2.244 -0.385 1.00 0.00 C ATOM 408 CD2 PHE A 27 -6.433 3.363 0.978 1.00 0.00 C ATOM 409 CE1 PHE A 27 -5.048 3.094 -1.467 1.00 0.00 C ATOM 410 CE2 PHE A 27 -6.750 4.204 -0.111 1.00 0.00 C ATOM 411 CZ PHE A 27 -6.053 4.076 -1.330 1.00 0.00 C ATOM 0 H PHE A 27 -3.200 3.611 2.611 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.900 1.051 3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.121 0.373 1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.029 1.394 2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.960 1.504 -0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.943 3.489 1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.515 2.994 -2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.528 4.947 -0.010 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.288 4.728 -2.158 1.00 0.00 H new ATOM 421 N VAL A 28 -2.639 -0.049 1.521 1.00 0.00 N ATOM 422 CA VAL A 28 -1.832 -0.592 0.419 1.00 0.00 C ATOM 423 C VAL A 28 -2.761 -1.291 -0.597 1.00 0.00 C ATOM 424 O VAL A 28 -3.963 -1.423 -0.348 1.00 0.00 O ATOM 425 CB VAL A 28 -0.738 -1.564 0.938 1.00 0.00 C ATOM 426 CG1 VAL A 28 -0.062 -1.028 2.217 1.00 0.00 C ATOM 427 CG2 VAL A 28 -1.280 -2.976 1.226 1.00 0.00 C ATOM 0 H VAL A 28 -3.217 -0.765 1.961 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.315 0.230 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.007 -1.631 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.698 -1.735 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.405 -0.066 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.811 -0.904 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.470 -3.610 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.060 -2.918 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.694 -3.400 0.311 1.00 0.00 H new ATOM 437 N PHE A 29 -2.210 -1.757 -1.738 1.00 0.00 N ATOM 438 CA PHE A 29 -2.875 -2.706 -2.645 1.00 0.00 C ATOM 439 C PHE A 29 -1.871 -3.680 -3.307 1.00 0.00 C ATOM 440 O PHE A 29 -0.668 -3.429 -3.364 1.00 0.00 O ATOM 441 CB PHE A 29 -3.672 -1.955 -3.731 1.00 0.00 C ATOM 442 CG PHE A 29 -2.858 -1.086 -4.680 1.00 0.00 C ATOM 443 CD1 PHE A 29 -1.798 -0.290 -4.189 1.00 0.00 C ATOM 444 CD2 PHE A 29 -3.180 -1.047 -6.058 1.00 0.00 C ATOM 445 CE1 PHE A 29 -1.108 0.584 -5.057 1.00 0.00 C ATOM 446 CE2 PHE A 29 -2.451 -0.216 -6.934 1.00 0.00 C ATOM 447 CZ PHE A 29 -1.415 0.600 -6.433 1.00 0.00 C ATOM 0 H PHE A 29 -1.281 -1.480 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.562 -3.297 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.220 -2.688 -4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.412 -1.325 -3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.516 -0.351 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.986 -1.656 -6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.345 1.241 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.686 -0.204 -7.988 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.857 1.237 -7.103 1.00 0.00 H new ATOM 457 N ALA A 30 -2.399 -4.831 -3.784 1.00 0.00 N ATOM 458 CA ALA A 30 -1.671 -6.066 -4.103 1.00 0.00 C ATOM 459 C ALA A 30 -2.083 -6.621 -5.484 1.00 0.00 C ATOM 460 O ALA A 30 -3.219 -7.082 -5.645 1.00 0.00 O ATOM 461 CB ALA A 30 -1.928 -7.115 -3.006 1.00 0.00 C ATOM 0 H ALA A 30 -3.399 -4.920 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.606 -5.837 -4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.387 -8.031 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.584 -6.730 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.995 -7.328 -2.950 1.00 0.00 H new ATOM 467 N VAL A 31 -1.171 -6.605 -6.476 1.00 0.00 N ATOM 468 CA VAL A 31 -1.408 -7.078 -7.849 1.00 0.00 C ATOM 469 C VAL A 31 -0.975 -8.555 -7.980 1.00 0.00 C ATOM 470 O VAL A 31 0.204 -8.839 -8.196 1.00 0.00 O ATOM 471 CB VAL A 31 -0.661 -6.179 -8.868 1.00 0.00 C ATOM 472 CG1 VAL A 31 -0.876 -6.649 -10.319 1.00 0.00 C ATOM 473 CG2 VAL A 31 -1.097 -4.705 -8.782 1.00 0.00 C ATOM 0 H VAL A 31 -0.224 -6.252 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.474 -7.015 -8.070 1.00 0.00 H new ATOM 0 HB VAL A 31 0.392 -6.263 -8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.335 -5.991 -10.999 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.506 -7.668 -10.430 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.939 -6.621 -10.557 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.544 -4.119 -9.516 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.165 -4.629 -8.987 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.891 -4.322 -7.782 1.00 0.00 H new ATOM 483 N ARG A 32 -1.934 -9.490 -7.829 1.00 0.00 N ATOM 484 CA ARG A 32 -1.711 -10.923 -7.591 1.00 0.00 C ATOM 485 C ARG A 32 -0.785 -11.537 -8.664 1.00 0.00 C ATOM 486 O ARG A 32 -0.118 -12.541 -8.403 1.00 0.00 O ATOM 487 CB ARG A 32 -3.073 -11.648 -7.548 1.00 0.00 C ATOM 488 CG ARG A 32 -3.061 -12.879 -6.628 1.00 0.00 C ATOM 489 CD ARG A 32 -4.422 -13.097 -5.952 1.00 0.00 C ATOM 490 NE ARG A 32 -4.854 -14.497 -6.077 1.00 0.00 N ATOM 491 CZ ARG A 32 -4.575 -15.490 -5.212 1.00 0.00 C ATOM 492 NH1 ARG A 32 -3.829 -15.275 -4.117 1.00 0.00 N ATOM 493 NH2 ARG A 32 -5.052 -16.721 -5.447 1.00 0.00 N ATOM 0 H ARG A 32 -2.925 -9.253 -7.872 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.208 -11.048 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.840 -10.952 -7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.348 -11.956 -8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.797 -13.764 -7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.292 -12.756 -5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.356 -12.826 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.166 -12.441 -6.404 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.416 -14.738 -6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.460 -14.343 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.631 -16.043 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.621 -16.898 -6.275 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.846 -17.480 -4.798 1.00 0.00 H new ATOM 507 N THR A 33 -0.763 -10.948 -9.875 1.00 0.00 N ATOM 508 CA THR A 33 -0.243 -11.555 -11.109 1.00 0.00 C ATOM 509 C THR A 33 1.292 -11.414 -11.190 1.00 0.00 C ATOM 510 O THR A 33 1.956 -12.247 -11.815 1.00 0.00 O ATOM 511 CB THR A 33 -0.932 -10.916 -12.340 1.00 0.00 C ATOM 512 OG1 THR A 33 -0.564 -11.602 -13.522 1.00 0.00 O ATOM 513 CG2 THR A 33 -0.577 -9.430 -12.525 1.00 0.00 C ATOM 0 H THR A 33 -1.120 -10.004 -10.023 1.00 0.00 H new ATOM 0 HA THR A 33 -0.471 -12.621 -11.100 1.00 0.00 H new ATOM 0 HB THR A 33 -2.004 -10.994 -12.156 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.008 -11.189 -14.292 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.091 -9.040 -13.404 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.888 -8.869 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.500 -9.327 -12.659 1.00 0.00 H new ATOM 521 N THR A 34 1.863 -10.375 -10.549 1.00 0.00 N ATOM 522 CA THR A 34 3.306 -10.189 -10.338 1.00 0.00 C ATOM 523 C THR A 34 3.711 -10.601 -8.906 1.00 0.00 C ATOM 524 O THR A 34 4.887 -10.871 -8.650 1.00 0.00 O ATOM 525 CB THR A 34 3.697 -8.720 -10.631 1.00 0.00 C ATOM 526 OG1 THR A 34 4.987 -8.661 -11.211 1.00 0.00 O ATOM 527 CG2 THR A 34 3.701 -7.834 -9.373 1.00 0.00 C ATOM 0 H THR A 34 1.309 -9.617 -10.151 1.00 0.00 H new ATOM 0 HA THR A 34 3.848 -10.835 -11.029 1.00 0.00 H new ATOM 0 HB THR A 34 2.939 -8.340 -11.316 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.222 -7.727 -11.393 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.983 -6.817 -9.645 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.706 -7.828 -8.929 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.417 -8.229 -8.652 1.00 0.00 H new ATOM 535 N GLY A 35 2.743 -10.635 -7.971 1.00 0.00 N ATOM 536 CA GLY A 35 2.946 -10.906 -6.540 1.00 0.00 C ATOM 537 C GLY A 35 3.795 -9.809 -5.865 1.00 0.00 C ATOM 538 O GLY A 35 4.637 -10.106 -5.016 1.00 0.00 O ATOM 0 H GLY A 35 1.764 -10.468 -8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.979 -10.975 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.437 -11.872 -6.419 1.00 0.00 H new ATOM 542 N ILE A 36 3.563 -8.535 -6.246 1.00 0.00 N ATOM 543 CA ILE A 36 4.029 -7.332 -5.543 1.00 0.00 C ATOM 544 C ILE A 36 2.846 -6.658 -4.812 1.00 0.00 C ATOM 545 O ILE A 36 1.685 -6.891 -5.153 1.00 0.00 O ATOM 546 CB ILE A 36 4.701 -6.345 -6.538 1.00 0.00 C ATOM 547 CG1 ILE A 36 5.815 -7.009 -7.384 1.00 0.00 C ATOM 548 CG2 ILE A 36 5.277 -5.125 -5.790 1.00 0.00 C ATOM 549 CD1 ILE A 36 6.221 -6.196 -8.622 1.00 0.00 C ATOM 0 H ILE A 36 3.025 -8.313 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 36 4.775 -7.621 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 36 3.918 -6.021 -7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.693 -7.161 -6.756 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.477 -7.995 -7.703 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.743 -4.447 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.473 -4.606 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.022 -5.459 -5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.005 -6.725 -9.163 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.356 -6.066 -9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.591 -5.219 -8.311 1.00 0.00 H new ATOM 561 N PHE A 37 3.156 -5.801 -3.817 1.00 0.00 N ATOM 562 CA PHE A 37 2.233 -4.841 -3.197 1.00 0.00 C ATOM 563 C PHE A 37 2.823 -3.412 -3.221 1.00 0.00 C ATOM 564 O PHE A 37 4.041 -3.231 -3.240 1.00 0.00 O ATOM 565 CB PHE A 37 1.913 -5.276 -1.751 1.00 0.00 C ATOM 566 CG PHE A 37 3.095 -5.294 -0.790 1.00 0.00 C ATOM 567 CD1 PHE A 37 3.680 -4.078 -0.366 1.00 0.00 C ATOM 568 CD2 PHE A 37 3.595 -6.518 -0.291 1.00 0.00 C ATOM 569 CE1 PHE A 37 4.739 -4.083 0.565 1.00 0.00 C ATOM 570 CE2 PHE A 37 4.621 -6.521 0.681 1.00 0.00 C ATOM 571 CZ PHE A 37 5.198 -5.305 1.102 1.00 0.00 C ATOM 0 H PHE A 37 4.091 -5.761 -3.412 1.00 0.00 H new ATOM 0 HA PHE A 37 1.308 -4.828 -3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.152 -4.607 -1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.476 -6.274 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.314 -3.141 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.192 -7.453 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.198 -3.153 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.963 -7.455 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.991 -5.309 1.835 1.00 0.00 H new ATOM 581 N CYS A 38 1.942 -2.393 -3.246 1.00 0.00 N ATOM 582 CA CYS A 38 2.206 -0.985 -3.567 1.00 0.00 C ATOM 583 C CYS A 38 1.543 -0.054 -2.522 1.00 0.00 C ATOM 584 O CYS A 38 0.806 -0.505 -1.645 1.00 0.00 O ATOM 585 CB CYS A 38 1.688 -0.671 -4.988 1.00 0.00 C ATOM 586 SG CYS A 38 2.699 -1.433 -6.291 1.00 0.00 S ATOM 0 H CYS A 38 0.958 -2.548 -3.026 1.00 0.00 H new ATOM 0 HA CYS A 38 3.281 -0.809 -3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.660 -1.021 -5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.671 0.409 -5.133 1.00 0.00 H new ATOM 0 HG CYS A 38 2.751 -0.640 -7.320 1.00 0.00 H new ATOM 591 N ARG A 39 1.785 1.263 -2.664 1.00 0.00 N ATOM 592 CA ARG A 39 1.002 2.372 -2.103 1.00 0.00 C ATOM 593 C ARG A 39 0.046 2.936 -3.184 1.00 0.00 C ATOM 594 O ARG A 39 0.389 2.844 -4.373 1.00 0.00 O ATOM 595 CB ARG A 39 1.989 3.460 -1.606 1.00 0.00 C ATOM 596 CG ARG A 39 1.305 4.715 -1.057 1.00 0.00 C ATOM 597 CD ARG A 39 1.569 6.033 -1.790 1.00 0.00 C ATOM 598 NE ARG A 39 2.783 5.947 -2.614 1.00 0.00 N ATOM 599 CZ ARG A 39 3.983 6.487 -2.344 1.00 0.00 C ATOM 600 NH1 ARG A 39 4.195 7.193 -1.223 1.00 0.00 N ATOM 601 NH2 ARG A 39 4.986 6.314 -3.218 1.00 0.00 N ATOM 0 H ARG A 39 2.581 1.598 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 39 0.393 2.030 -1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.622 3.034 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.644 3.746 -2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.229 4.540 -1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.610 4.839 -0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.715 6.279 -2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.674 6.841 -1.066 1.00 0.00 H new ATOM 0 HE ARG A 39 2.706 5.421 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.436 7.329 -0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.115 7.594 -1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.831 5.779 -4.073 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.903 6.718 -3.028 1.00 0.00 H new ATOM 615 N PRO A 40 -1.149 3.476 -2.852 1.00 0.00 N ATOM 616 CA PRO A 40 -2.158 3.951 -3.817 1.00 0.00 C ATOM 617 C PRO A 40 -1.603 4.714 -5.041 1.00 0.00 C ATOM 618 O PRO A 40 -2.242 4.745 -6.095 1.00 0.00 O ATOM 619 CB PRO A 40 -3.135 4.826 -3.006 1.00 0.00 C ATOM 620 CG PRO A 40 -2.488 4.993 -1.633 1.00 0.00 C ATOM 621 CD PRO A 40 -1.650 3.721 -1.504 1.00 0.00 C ATOM 0 HA PRO A 40 -2.638 3.085 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.289 5.792 -3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.113 4.351 -2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.873 5.891 -1.581 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.232 5.070 -0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.833 3.854 -0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.250 2.885 -1.145 1.00 0.00 H new ATOM 629 N SER A 41 -0.423 5.345 -4.893 1.00 0.00 N ATOM 630 CA SER A 41 0.144 6.374 -5.775 1.00 0.00 C ATOM 631 C SER A 41 0.936 5.771 -6.952 1.00 0.00 C ATOM 632 O SER A 41 1.784 6.460 -7.539 1.00 0.00 O ATOM 633 CB SER A 41 1.041 7.320 -4.942 1.00 0.00 C ATOM 634 OG SER A 41 1.488 8.414 -5.718 1.00 0.00 O ATOM 0 H SER A 41 0.193 5.136 -4.108 1.00 0.00 H new ATOM 0 HA SER A 41 -0.682 6.934 -6.213 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.485 7.686 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.899 6.768 -4.558 1.00 0.00 H new ATOM 0 HG SER A 41 1.757 8.097 -6.606 1.00 0.00 H new ATOM 640 N CYS A 42 0.716 4.482 -7.304 1.00 0.00 N ATOM 641 CA CYS A 42 1.660 3.692 -8.121 1.00 0.00 C ATOM 642 C CYS A 42 1.782 4.298 -9.539 1.00 0.00 C ATOM 643 O CYS A 42 0.990 3.977 -10.426 1.00 0.00 O ATOM 644 CB CYS A 42 1.233 2.210 -8.158 1.00 0.00 C ATOM 645 SG CYS A 42 2.562 1.122 -8.777 1.00 0.00 S ATOM 0 H CYS A 42 -0.119 3.964 -7.029 1.00 0.00 H new ATOM 0 HA CYS A 42 2.648 3.732 -7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.943 1.892 -7.156 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.354 2.103 -8.793 1.00 0.00 H new ATOM 0 HG CYS A 42 3.547 1.114 -7.928 1.00 0.00 H new ATOM 650 N ARG A 43 2.767 5.199 -9.729 1.00 0.00 N ATOM 651 CA ARG A 43 2.854 6.165 -10.834 1.00 0.00 C ATOM 652 C ARG A 43 2.978 5.451 -12.197 1.00 0.00 C ATOM 653 O ARG A 43 2.249 5.779 -13.136 1.00 0.00 O ATOM 654 CB ARG A 43 4.042 7.120 -10.585 1.00 0.00 C ATOM 655 CG ARG A 43 5.363 6.598 -11.175 1.00 0.00 C ATOM 656 CD ARG A 43 6.488 7.638 -11.067 1.00 0.00 C ATOM 657 NE ARG A 43 7.457 7.482 -12.163 1.00 0.00 N ATOM 658 CZ ARG A 43 8.737 7.895 -12.154 1.00 0.00 C ATOM 659 NH1 ARG A 43 9.268 8.507 -11.083 1.00 0.00 N ATOM 660 NH2 ARG A 43 9.502 7.693 -13.236 1.00 0.00 N ATOM 0 H ARG A 43 3.556 5.273 -9.087 1.00 0.00 H new ATOM 0 HA ARG A 43 1.934 6.748 -10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.816 8.094 -11.019 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.163 7.269 -9.512 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.659 5.688 -10.654 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.213 6.332 -12.221 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.064 8.642 -11.092 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.997 7.531 -10.109 1.00 0.00 H new ATOM 0 HE ARG A 43 7.127 7.017 -13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.698 8.668 -10.253 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.241 8.811 -11.100 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.112 7.230 -14.057 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.474 8.003 -13.239 1.00 0.00 H new ATOM 674 N ALA A 44 3.912 4.487 -12.312 1.00 0.00 N ATOM 675 CA ALA A 44 4.088 3.607 -13.477 1.00 0.00 C ATOM 676 C ALA A 44 2.774 2.869 -13.819 1.00 0.00 C ATOM 677 O ALA A 44 2.161 2.264 -12.937 1.00 0.00 O ATOM 678 CB ALA A 44 5.219 2.603 -13.204 1.00 0.00 C ATOM 0 H ALA A 44 4.586 4.295 -11.570 1.00 0.00 H new ATOM 0 HA ALA A 44 4.357 4.219 -14.338 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.346 1.953 -14.070 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.147 3.143 -13.017 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.967 2.000 -12.332 1.00 0.00 H new ATOM 684 N ARG A 45 2.344 2.940 -15.093 1.00 0.00 N ATOM 685 CA ARG A 45 1.016 2.542 -15.580 1.00 0.00 C ATOM 686 C ARG A 45 0.579 1.196 -14.961 1.00 0.00 C ATOM 687 O ARG A 45 0.932 0.133 -15.473 1.00 0.00 O ATOM 688 CB ARG A 45 1.036 2.478 -17.122 1.00 0.00 C ATOM 689 CG ARG A 45 0.307 3.664 -17.775 1.00 0.00 C ATOM 690 CD ARG A 45 -0.373 3.264 -19.092 1.00 0.00 C ATOM 691 NE ARG A 45 -0.226 4.322 -20.103 1.00 0.00 N ATOM 692 CZ ARG A 45 -1.229 5.011 -20.679 1.00 0.00 C ATOM 693 NH1 ARG A 45 -2.511 4.783 -20.352 1.00 0.00 N ATOM 694 NH2 ARG A 45 -0.944 5.944 -21.598 1.00 0.00 N ATOM 0 H ARG A 45 2.941 3.292 -15.841 1.00 0.00 H new ATOM 0 HA ARG A 45 0.282 3.286 -15.271 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.070 2.458 -17.467 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.572 1.547 -17.449 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.441 4.055 -17.085 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.018 4.468 -17.963 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.064 2.337 -19.464 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.431 3.070 -18.915 1.00 0.00 H new ATOM 0 HE ARG A 45 0.723 4.555 -20.395 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.741 4.076 -19.654 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.255 5.317 -20.801 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.026 6.127 -21.855 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.697 6.471 -22.040 1.00 0.00 H new ATOM 708 N HIS A 46 -0.168 1.253 -13.839 1.00 0.00 N ATOM 709 CA HIS A 46 -0.380 0.141 -12.901 1.00 0.00 C ATOM 710 C HIS A 46 -1.492 -0.813 -13.394 1.00 0.00 C ATOM 711 O HIS A 46 -2.503 -0.365 -13.938 1.00 0.00 O ATOM 712 CB HIS A 46 -0.683 0.677 -11.481 1.00 0.00 C ATOM 713 CG HIS A 46 -1.600 1.877 -11.452 1.00 0.00 C ATOM 714 ND1 HIS A 46 -2.600 2.058 -12.409 1.00 0.00 N ATOM 715 CD2 HIS A 46 -1.633 2.929 -10.573 1.00 0.00 C ATOM 716 CE1 HIS A 46 -3.188 3.210 -12.076 1.00 0.00 C ATOM 717 NE2 HIS A 46 -2.644 3.773 -10.984 1.00 0.00 N ATOM 0 H HIS A 46 -0.654 2.104 -13.556 1.00 0.00 H new ATOM 0 HA HIS A 46 0.541 -0.439 -12.854 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.132 -0.123 -10.892 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.257 0.941 -10.997 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -2.831 1.445 -13.191 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.988 3.070 -9.718 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.012 3.642 -12.625 1.00 0.00 H new ATOM 725 N ALA A 47 -1.286 -2.133 -13.211 1.00 0.00 N ATOM 726 CA ALA A 47 -2.203 -3.213 -13.601 1.00 0.00 C ATOM 727 C ALA A 47 -3.620 -2.981 -13.030 1.00 0.00 C ATOM 728 O ALA A 47 -3.783 -2.275 -12.034 1.00 0.00 O ATOM 729 CB ALA A 47 -1.647 -4.566 -13.129 1.00 0.00 C ATOM 0 H ALA A 47 -0.438 -2.486 -12.768 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.282 -3.219 -14.688 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.331 -5.362 -13.421 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.673 -4.739 -13.586 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.542 -4.558 -12.044 1.00 0.00 H new ATOM 735 N LEU A 48 -4.642 -3.570 -13.682 1.00 0.00 N ATOM 736 CA LEU A 48 -6.067 -3.251 -13.517 1.00 0.00 C ATOM 737 C LEU A 48 -6.535 -3.552 -12.076 1.00 0.00 C ATOM 738 O LEU A 48 -5.966 -4.414 -11.405 1.00 0.00 O ATOM 739 CB LEU A 48 -6.910 -4.065 -14.522 1.00 0.00 C ATOM 740 CG LEU A 48 -6.848 -3.582 -15.987 1.00 0.00 C ATOM 741 CD1 LEU A 48 -7.213 -4.748 -16.920 1.00 0.00 C ATOM 742 CD2 LEU A 48 -7.805 -2.409 -16.253 1.00 0.00 C ATOM 0 H LEU A 48 -4.487 -4.311 -14.365 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.204 -2.187 -13.709 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.583 -5.104 -14.486 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.950 -4.047 -14.196 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.833 -3.234 -16.178 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.171 -4.412 -17.956 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.507 -5.565 -16.774 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.221 -5.095 -16.692 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.726 -2.104 -17.297 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.828 -2.719 -16.042 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.540 -1.570 -15.609 1.00 0.00 H new ATOM 754 N ARG A 49 -7.586 -2.848 -11.615 1.00 0.00 N ATOM 755 CA ARG A 49 -8.347 -3.136 -10.391 1.00 0.00 C ATOM 756 C ARG A 49 -8.632 -4.648 -10.253 1.00 0.00 C ATOM 757 O ARG A 49 -8.686 -5.176 -9.142 1.00 0.00 O ATOM 758 CB ARG A 49 -9.657 -2.319 -10.402 1.00 0.00 C ATOM 759 CG ARG A 49 -10.422 -2.412 -9.073 1.00 0.00 C ATOM 760 CD ARG A 49 -11.238 -3.708 -8.982 1.00 0.00 C ATOM 761 NE ARG A 49 -12.676 -3.418 -8.886 1.00 0.00 N ATOM 762 CZ ARG A 49 -13.669 -4.324 -8.946 1.00 0.00 C ATOM 763 NH1 ARG A 49 -13.417 -5.623 -9.176 1.00 0.00 N ATOM 764 NH2 ARG A 49 -14.936 -3.924 -8.769 1.00 0.00 N ATOM 0 H ARG A 49 -7.941 -2.029 -12.108 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.753 -2.843 -9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.428 -1.274 -10.613 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.296 -2.674 -11.210 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.717 -2.366 -8.243 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.088 -1.554 -8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.045 -4.326 -9.859 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.920 -4.282 -8.112 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.945 -2.442 -8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.457 -5.940 -9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.186 -6.292 -9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.140 -2.941 -8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.696 -4.603 -8.813 1.00 0.00 H new ATOM 778 N GLU A 50 -8.839 -5.334 -11.399 1.00 0.00 N ATOM 779 CA GLU A 50 -9.447 -6.661 -11.502 1.00 0.00 C ATOM 780 C GLU A 50 -8.508 -7.765 -10.988 1.00 0.00 C ATOM 781 O GLU A 50 -8.946 -8.875 -10.684 1.00 0.00 O ATOM 782 CB GLU A 50 -9.835 -6.921 -12.971 1.00 0.00 C ATOM 783 CG GLU A 50 -10.644 -8.214 -13.131 1.00 0.00 C ATOM 784 CD GLU A 50 -11.168 -8.451 -14.559 1.00 0.00 C ATOM 785 OE1 GLU A 50 -10.441 -9.081 -15.358 1.00 0.00 O ATOM 786 OE2 GLU A 50 -12.301 -7.986 -14.818 1.00 0.00 O ATOM 0 H GLU A 50 -8.573 -4.955 -12.308 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.336 -6.684 -10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.418 -6.080 -13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.933 -6.980 -13.579 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.021 -9.059 -12.839 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.490 -8.189 -12.444 1.00 0.00 H new ATOM 793 N ASN A 51 -7.200 -7.448 -10.872 1.00 0.00 N ATOM 794 CA ASN A 51 -6.149 -8.284 -10.278 1.00 0.00 C ATOM 795 C ASN A 51 -5.667 -7.700 -8.932 1.00 0.00 C ATOM 796 O ASN A 51 -5.006 -8.397 -8.157 1.00 0.00 O ATOM 797 CB ASN A 51 -4.963 -8.401 -11.257 1.00 0.00 C ATOM 798 CG ASN A 51 -5.352 -8.962 -12.637 1.00 0.00 C ATOM 799 OD1 ASN A 51 -6.171 -9.868 -12.753 1.00 0.00 O ATOM 800 ND2 ASN A 51 -4.753 -8.389 -13.690 1.00 0.00 N ATOM 0 H ASN A 51 -6.837 -6.556 -11.209 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.564 -9.274 -10.088 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.514 -7.417 -11.388 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.201 -9.043 -10.815 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.972 -8.704 -14.635 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.078 -7.638 -13.546 1.00 0.00 H new ATOM 807 N VAL A 52 -5.981 -6.419 -8.661 1.00 0.00 N ATOM 808 CA VAL A 52 -5.558 -5.660 -7.474 1.00 0.00 C ATOM 809 C VAL A 52 -6.564 -5.864 -6.320 1.00 0.00 C ATOM 810 O VAL A 52 -7.773 -5.919 -6.553 1.00 0.00 O ATOM 811 CB VAL A 52 -5.409 -4.158 -7.832 1.00 0.00 C ATOM 812 CG1 VAL A 52 -6.397 -3.276 -7.044 1.00 0.00 C ATOM 813 CG2 VAL A 52 -3.991 -3.625 -7.563 1.00 0.00 C ATOM 0 H VAL A 52 -6.560 -5.864 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.588 -6.028 -7.140 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.624 -4.100 -8.899 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.258 -2.232 -7.326 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.418 -3.580 -7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.215 -3.391 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.942 -2.570 -7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.753 -3.743 -6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.272 -4.185 -8.161 1.00 0.00 H new ATOM 823 N SER A 53 -6.060 -5.975 -5.076 1.00 0.00 N ATOM 824 CA SER A 53 -6.837 -5.935 -3.831 1.00 0.00 C ATOM 825 C SER A 53 -6.109 -5.136 -2.726 1.00 0.00 C ATOM 826 O SER A 53 -4.890 -4.980 -2.779 1.00 0.00 O ATOM 827 CB SER A 53 -7.136 -7.369 -3.353 1.00 0.00 C ATOM 828 OG SER A 53 -6.110 -7.857 -2.509 1.00 0.00 O ATOM 0 H SER A 53 -5.062 -6.100 -4.909 1.00 0.00 H new ATOM 0 HA SER A 53 -7.776 -5.421 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.086 -7.385 -2.820 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.243 -8.027 -4.216 1.00 0.00 H new ATOM 0 HG SER A 53 -6.329 -8.768 -2.221 1.00 0.00 H new ATOM 834 N PHE A 54 -6.883 -4.622 -1.746 1.00 0.00 N ATOM 835 CA PHE A 54 -6.499 -3.536 -0.832 1.00 0.00 C ATOM 836 C PHE A 54 -6.405 -4.017 0.636 1.00 0.00 C ATOM 837 O PHE A 54 -7.314 -4.664 1.157 1.00 0.00 O ATOM 838 CB PHE A 54 -7.511 -2.377 -0.936 1.00 0.00 C ATOM 839 CG PHE A 54 -7.789 -1.887 -2.351 1.00 0.00 C ATOM 840 CD1 PHE A 54 -6.977 -0.882 -2.928 1.00 0.00 C ATOM 841 CD2 PHE A 54 -8.838 -2.457 -3.107 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.136 -0.538 -4.287 1.00 0.00 C ATOM 843 CE2 PHE A 54 -9.005 -2.103 -4.464 1.00 0.00 C ATOM 844 CZ PHE A 54 -8.167 -1.130 -5.047 1.00 0.00 C ATOM 0 H PHE A 54 -7.826 -4.968 -1.567 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.509 -3.192 -1.132 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.452 -2.695 -0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -7.143 -1.539 -0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.235 -0.378 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.513 -3.164 -2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.469 0.178 -4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -9.774 -2.577 -5.055 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.315 -0.838 -6.076 1.00 0.00 H new ATOM 854 N TYR A 55 -5.291 -3.672 1.309 1.00 0.00 N ATOM 855 CA TYR A 55 -4.981 -3.853 2.731 1.00 0.00 C ATOM 856 C TYR A 55 -5.013 -2.510 3.501 1.00 0.00 C ATOM 857 O TYR A 55 -5.246 -1.447 2.929 1.00 0.00 O ATOM 858 CB TYR A 55 -3.573 -4.480 2.876 1.00 0.00 C ATOM 859 CG TYR A 55 -3.308 -5.651 1.938 1.00 0.00 C ATOM 860 CD1 TYR A 55 -4.207 -6.749 1.929 1.00 0.00 C ATOM 861 CD2 TYR A 55 -2.190 -5.663 1.078 1.00 0.00 C ATOM 862 CE1 TYR A 55 -3.974 -7.849 1.078 1.00 0.00 C ATOM 863 CE2 TYR A 55 -1.962 -6.759 0.220 1.00 0.00 C ATOM 864 CZ TYR A 55 -2.846 -7.859 0.229 1.00 0.00 C ATOM 865 OH TYR A 55 -2.605 -8.930 -0.584 1.00 0.00 O ATOM 0 H TYR A 55 -4.518 -3.219 0.822 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.740 -4.510 3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.824 -3.709 2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.442 -4.817 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.072 -6.742 2.576 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.505 -4.828 1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.659 -8.684 1.076 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.110 -6.756 -0.444 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.172 -8.870 -1.381 1.00 0.00 H new ATOM 875 N ALA A 56 -4.739 -2.595 4.826 1.00 0.00 N ATOM 876 CA ALA A 56 -4.392 -1.472 5.705 1.00 0.00 C ATOM 877 C ALA A 56 -2.935 -1.008 5.486 1.00 0.00 C ATOM 878 O ALA A 56 -2.668 0.199 5.471 1.00 0.00 O ATOM 879 CB ALA A 56 -4.611 -1.875 7.172 1.00 0.00 C ATOM 0 H ALA A 56 -4.757 -3.486 5.322 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.043 -0.633 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.352 -1.039 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.657 -2.142 7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.979 -2.730 7.413 1.00 0.00 H new ATOM 885 N ASN A 57 -1.986 -1.953 5.334 1.00 0.00 N ATOM 886 CA ASN A 57 -0.547 -1.691 5.174 1.00 0.00 C ATOM 887 C ASN A 57 0.160 -2.852 4.438 1.00 0.00 C ATOM 888 O ASN A 57 -0.458 -3.874 4.141 1.00 0.00 O ATOM 889 CB ASN A 57 0.104 -1.475 6.557 1.00 0.00 C ATOM 890 CG ASN A 57 -0.036 -2.684 7.489 1.00 0.00 C ATOM 891 OD1 ASN A 57 0.566 -3.730 7.253 1.00 0.00 O ATOM 892 ND2 ASN A 57 -0.825 -2.542 8.557 1.00 0.00 N ATOM 0 H ASN A 57 -2.209 -2.948 5.319 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.434 -0.790 4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.162 -1.250 6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.349 -0.605 7.032 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.944 -3.317 9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.309 -1.659 8.720 1.00 0.00 H new ATOM 899 N ALA A 58 1.468 -2.681 4.155 1.00 0.00 N ATOM 900 CA ALA A 58 2.293 -3.582 3.339 1.00 0.00 C ATOM 901 C ALA A 58 2.471 -4.953 4.027 1.00 0.00 C ATOM 902 O ALA A 58 2.605 -5.973 3.349 1.00 0.00 O ATOM 903 CB ALA A 58 3.660 -2.933 3.066 1.00 0.00 C ATOM 0 H ALA A 58 1.994 -1.880 4.504 1.00 0.00 H new ATOM 0 HA ALA A 58 1.783 -3.752 2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.268 -3.606 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.517 -1.994 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.166 -2.739 4.012 1.00 0.00 H new ATOM 909 N SER A 59 2.488 -4.968 5.373 1.00 0.00 N ATOM 910 CA SER A 59 2.685 -6.159 6.212 1.00 0.00 C ATOM 911 C SER A 59 1.537 -7.175 6.023 1.00 0.00 C ATOM 912 O SER A 59 1.745 -8.382 6.158 1.00 0.00 O ATOM 913 CB SER A 59 2.831 -5.754 7.692 1.00 0.00 C ATOM 914 OG SER A 59 1.681 -6.092 8.443 1.00 0.00 O ATOM 0 H SER A 59 2.360 -4.119 5.923 1.00 0.00 H new ATOM 0 HA SER A 59 3.607 -6.648 5.897 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.703 -6.248 8.120 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.007 -4.680 7.760 1.00 0.00 H new ATOM 0 HG SER A 59 0.973 -5.437 8.270 1.00 0.00 H new ATOM 920 N GLU A 60 0.331 -6.675 5.696 1.00 0.00 N ATOM 921 CA GLU A 60 -0.843 -7.453 5.264 1.00 0.00 C ATOM 922 C GLU A 60 -0.567 -8.113 3.895 1.00 0.00 C ATOM 923 O GLU A 60 -0.857 -9.289 3.679 1.00 0.00 O ATOM 924 CB GLU A 60 -2.090 -6.543 5.199 1.00 0.00 C ATOM 925 CG GLU A 60 -3.336 -7.291 4.687 1.00 0.00 C ATOM 926 CD GLU A 60 -3.921 -8.293 5.690 1.00 0.00 C ATOM 927 OE1 GLU A 60 -3.745 -8.082 6.911 1.00 0.00 O ATOM 928 OE2 GLU A 60 -4.539 -9.268 5.208 1.00 0.00 O ATOM 0 H GLU A 60 0.141 -5.673 5.727 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.036 -8.242 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.294 -6.139 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.884 -5.695 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.104 -6.562 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.078 -7.820 3.770 1.00 0.00 H new ATOM 935 N ALA A 61 0.028 -7.320 2.970 1.00 0.00 N ATOM 936 CA ALA A 61 0.480 -7.766 1.646 1.00 0.00 C ATOM 937 C ALA A 61 1.657 -8.761 1.772 1.00 0.00 C ATOM 938 O ALA A 61 1.826 -9.649 0.935 1.00 0.00 O ATOM 939 CB ALA A 61 0.882 -6.552 0.793 1.00 0.00 C ATOM 0 H ALA A 61 0.207 -6.330 3.137 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.343 -8.284 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.216 -6.891 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.024 -5.890 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.691 -6.013 1.286 1.00 0.00 H new ATOM 945 N LEU A 62 2.464 -8.615 2.835 1.00 0.00 N ATOM 946 CA LEU A 62 3.531 -9.514 3.306 1.00 0.00 C ATOM 947 C LEU A 62 2.930 -10.825 3.855 1.00 0.00 C ATOM 948 O LEU A 62 3.453 -11.914 3.620 1.00 0.00 O ATOM 949 CB LEU A 62 4.347 -8.799 4.419 1.00 0.00 C ATOM 950 CG LEU A 62 5.861 -8.735 4.173 1.00 0.00 C ATOM 951 CD1 LEU A 62 6.574 -8.184 5.419 1.00 0.00 C ATOM 952 CD2 LEU A 62 6.475 -10.100 3.822 1.00 0.00 C ATOM 0 H LEU A 62 2.380 -7.797 3.438 1.00 0.00 H new ATOM 0 HA LEU A 62 4.186 -9.760 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.969 -7.783 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.169 -9.311 5.365 1.00 0.00 H new ATOM 0 HG LEU A 62 6.003 -8.076 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.648 -8.142 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.204 -7.182 5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.377 -8.837 6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.547 -9.986 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.304 -10.798 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.010 -10.486 2.915 1.00 0.00 H new ATOM 964 N ALA A 63 1.799 -10.695 4.587 1.00 0.00 N ATOM 965 CA ALA A 63 0.944 -11.788 5.068 1.00 0.00 C ATOM 966 C ALA A 63 0.334 -12.581 3.891 1.00 0.00 C ATOM 967 O ALA A 63 -0.014 -13.752 4.044 1.00 0.00 O ATOM 968 CB ALA A 63 -0.169 -11.225 5.969 1.00 0.00 C ATOM 0 H ALA A 63 1.448 -9.779 4.868 1.00 0.00 H new ATOM 0 HA ALA A 63 1.561 -12.475 5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.799 -12.041 6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.277 -10.716 6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.775 -10.519 5.401 1.00 0.00 H new ATOM 974 N ALA A 64 0.193 -11.927 2.722 1.00 0.00 N ATOM 975 CA ALA A 64 -0.211 -12.528 1.441 1.00 0.00 C ATOM 976 C ALA A 64 0.990 -13.151 0.696 1.00 0.00 C ATOM 977 O ALA A 64 0.801 -13.902 -0.263 1.00 0.00 O ATOM 978 CB ALA A 64 -0.894 -11.465 0.564 1.00 0.00 C ATOM 0 H ALA A 64 0.365 -10.925 2.644 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.915 -13.333 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.192 -11.912 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.776 -11.081 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.199 -10.647 0.376 1.00 0.00 H new ATOM 984 N GLY A 65 2.222 -12.848 1.146 1.00 0.00 N ATOM 985 CA GLY A 65 3.483 -13.372 0.605 1.00 0.00 C ATOM 986 C GLY A 65 3.940 -12.606 -0.654 1.00 0.00 C ATOM 987 O GLY A 65 4.332 -13.220 -1.648 1.00 0.00 O ATOM 0 H GLY A 65 2.368 -12.207 1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.258 -13.308 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.361 -14.428 0.362 1.00 0.00 H new ATOM 991 N PHE A 66 3.906 -11.260 -0.602 1.00 0.00 N ATOM 992 CA PHE A 66 4.254 -10.352 -1.704 1.00 0.00 C ATOM 993 C PHE A 66 5.511 -9.523 -1.360 1.00 0.00 C ATOM 994 O PHE A 66 5.794 -9.283 -0.185 1.00 0.00 O ATOM 995 CB PHE A 66 3.070 -9.414 -2.014 1.00 0.00 C ATOM 996 CG PHE A 66 1.822 -10.094 -2.560 1.00 0.00 C ATOM 997 CD1 PHE A 66 1.577 -11.462 -2.289 1.00 0.00 C ATOM 998 CD2 PHE A 66 0.884 -9.356 -3.318 1.00 0.00 C ATOM 999 CE1 PHE A 66 0.403 -12.081 -2.765 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -0.296 -9.974 -3.784 1.00 0.00 C ATOM 1001 CZ PHE A 66 -0.528 -11.341 -3.525 1.00 0.00 C ATOM 0 H PHE A 66 3.625 -10.760 0.242 1.00 0.00 H new ATOM 0 HA PHE A 66 4.472 -10.955 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.803 -8.881 -1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.400 -8.666 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.292 -12.033 -1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.071 -8.316 -3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.216 -13.122 -2.548 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.022 -9.400 -4.340 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.417 -11.821 -3.908 1.00 0.00 H new ATOM 1011 N ARG A 67 6.268 -9.099 -2.390 1.00 0.00 N ATOM 1012 CA ARG A 67 7.493 -8.293 -2.284 1.00 0.00 C ATOM 1013 C ARG A 67 7.221 -6.805 -2.622 1.00 0.00 C ATOM 1014 O ARG A 67 6.257 -6.521 -3.335 1.00 0.00 O ATOM 1015 CB ARG A 67 8.567 -8.875 -3.231 1.00 0.00 C ATOM 1016 CG ARG A 67 9.248 -10.116 -2.648 1.00 0.00 C ATOM 1017 CD ARG A 67 9.573 -11.195 -3.687 1.00 0.00 C ATOM 1018 NE ARG A 67 11.029 -11.396 -3.745 1.00 0.00 N ATOM 1019 CZ ARG A 67 11.696 -12.510 -3.404 1.00 0.00 C ATOM 1020 NH1 ARG A 67 11.055 -13.596 -2.945 1.00 0.00 N ATOM 1021 NH2 ARG A 67 13.031 -12.529 -3.530 1.00 0.00 N ATOM 0 H ARG A 67 6.030 -9.319 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 67 7.851 -8.333 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.106 -9.131 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.319 -8.113 -3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.171 -9.813 -2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.602 -10.546 -1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.076 -12.129 -3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.197 -10.898 -4.666 1.00 0.00 H new ATOM 0 HE ARG A 67 11.588 -10.610 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.040 -13.586 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.583 -14.431 -2.692 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.522 -11.706 -3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.555 -13.366 -3.276 1.00 0.00 H new ATOM 1035 N PRO A 68 8.020 -5.841 -2.103 1.00 0.00 N ATOM 1036 CA PRO A 68 7.738 -4.398 -2.174 1.00 0.00 C ATOM 1037 C PRO A 68 8.130 -3.709 -3.502 1.00 0.00 C ATOM 1038 O PRO A 68 9.313 -3.600 -3.825 1.00 0.00 O ATOM 1039 CB PRO A 68 8.478 -3.780 -0.974 1.00 0.00 C ATOM 1040 CG PRO A 68 9.671 -4.705 -0.750 1.00 0.00 C ATOM 1041 CD PRO A 68 9.245 -6.042 -1.337 1.00 0.00 C ATOM 0 HA PRO A 68 6.660 -4.243 -2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.800 -2.761 -1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.838 -3.735 -0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.565 -4.324 -1.244 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.907 -4.796 0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.031 -6.442 -1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.080 -6.769 -0.542 1.00 0.00 H new ATOM 1049 N CYS A 69 7.124 -3.231 -4.258 1.00 0.00 N ATOM 1050 CA CYS A 69 7.220 -2.651 -5.606 1.00 0.00 C ATOM 1051 C CYS A 69 8.431 -1.701 -5.716 1.00 0.00 C ATOM 1052 O CYS A 69 8.790 -1.037 -4.740 1.00 0.00 O ATOM 1053 CB CYS A 69 5.873 -1.956 -5.926 1.00 0.00 C ATOM 1054 SG CYS A 69 5.901 -0.911 -7.421 1.00 0.00 S ATOM 0 H CYS A 69 6.162 -3.241 -3.920 1.00 0.00 H new ATOM 0 HA CYS A 69 7.394 -3.430 -6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.104 -2.719 -6.045 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.583 -1.342 -5.073 1.00 0.00 H new ATOM 0 HG CYS A 69 4.689 -0.549 -7.720 1.00 0.00 H new ATOM 1059 N LYS A 70 9.059 -1.629 -6.906 1.00 0.00 N ATOM 1060 CA LYS A 70 10.332 -0.941 -7.167 1.00 0.00 C ATOM 1061 C LYS A 70 10.108 0.573 -7.380 1.00 0.00 C ATOM 1062 O LYS A 70 10.990 1.256 -7.911 1.00 0.00 O ATOM 1063 CB LYS A 70 11.029 -1.584 -8.387 1.00 0.00 C ATOM 1064 CG LYS A 70 12.531 -1.259 -8.448 1.00 0.00 C ATOM 1065 CD LYS A 70 13.073 -1.252 -9.885 1.00 0.00 C ATOM 1066 CE LYS A 70 13.765 -2.589 -10.189 1.00 0.00 C ATOM 1067 NZ LYS A 70 12.797 -3.689 -10.338 1.00 0.00 N ATOM 0 H LYS A 70 8.675 -2.067 -7.743 1.00 0.00 H new ATOM 0 HA LYS A 70 10.981 -1.052 -6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.896 -2.665 -8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.548 -1.236 -9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.708 -0.285 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.082 -1.992 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.258 -1.086 -10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.778 -0.430 -10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.350 -2.495 -11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.463 -2.827 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.289 -4.541 -10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.352 -3.886 -9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.066 -3.417 -11.026 1.00 0.00 H new ATOM 1081 N ARG A 71 8.931 1.096 -6.991 1.00 0.00 N ATOM 1082 CA ARG A 71 8.503 2.496 -7.147 1.00 0.00 C ATOM 1083 C ARG A 71 7.848 3.023 -5.854 1.00 0.00 C ATOM 1084 O ARG A 71 8.218 4.087 -5.355 1.00 0.00 O ATOM 1085 CB ARG A 71 7.530 2.576 -8.345 1.00 0.00 C ATOM 1086 CG ARG A 71 7.744 3.824 -9.211 1.00 0.00 C ATOM 1087 CD ARG A 71 6.936 3.760 -10.514 1.00 0.00 C ATOM 1088 NE ARG A 71 7.755 4.179 -11.661 1.00 0.00 N ATOM 1089 CZ ARG A 71 8.507 3.371 -12.430 1.00 0.00 C ATOM 1090 NH1 ARG A 71 8.678 2.075 -12.123 1.00 0.00 N ATOM 1091 NH2 ARG A 71 9.098 3.869 -13.525 1.00 0.00 N ATOM 0 H ARG A 71 8.218 0.525 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 71 9.370 3.129 -7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.651 1.687 -8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.505 2.570 -7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.455 4.711 -8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.804 3.926 -9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.574 2.744 -10.672 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.059 4.402 -10.435 1.00 0.00 H new ATOM 0 HE ARG A 71 7.753 5.172 -11.895 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.233 1.685 -11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.253 1.481 -12.721 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.975 4.852 -13.768 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.670 3.265 -14.115 1.00 0.00 H new ATOM 1105 N CYS A 72 6.876 2.264 -5.307 1.00 0.00 N ATOM 1106 CA CYS A 72 6.127 2.595 -4.087 1.00 0.00 C ATOM 1107 C CYS A 72 6.844 2.054 -2.832 1.00 0.00 C ATOM 1108 O CYS A 72 7.430 2.827 -2.071 1.00 0.00 O ATOM 1109 CB CYS A 72 4.680 2.064 -4.196 1.00 0.00 C ATOM 1110 SG CYS A 72 4.033 2.247 -5.883 1.00 0.00 S ATOM 0 H CYS A 72 6.585 1.377 -5.719 1.00 0.00 H new ATOM 0 HA CYS A 72 6.082 3.679 -3.984 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.653 1.014 -3.906 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.039 2.603 -3.498 1.00 0.00 H new ATOM 0 HG CYS A 72 2.734 2.198 -5.857 1.00 0.00 H new ATOM 1115 N GLN A 73 6.769 0.730 -2.604 1.00 0.00 N ATOM 1116 CA GLN A 73 7.022 0.079 -1.311 1.00 0.00 C ATOM 1117 C GLN A 73 8.529 -0.245 -1.152 1.00 0.00 C ATOM 1118 O GLN A 73 9.251 -0.222 -2.151 1.00 0.00 O ATOM 1119 CB GLN A 73 6.161 -1.200 -1.257 1.00 0.00 C ATOM 1120 CG GLN A 73 5.136 -1.230 -0.107 1.00 0.00 C ATOM 1121 CD GLN A 73 4.615 0.139 0.360 1.00 0.00 C ATOM 1122 OE1 GLN A 73 3.882 0.791 -0.379 1.00 0.00 O ATOM 1123 NE2 GLN A 73 4.980 0.589 1.566 1.00 0.00 N ATOM 0 H GLN A 73 6.523 0.066 -3.338 1.00 0.00 H new ATOM 0 HA GLN A 73 6.753 0.740 -0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.630 -1.306 -2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.820 -2.063 -1.163 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.285 -1.834 -0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.589 -1.735 0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.590 0.025 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.648 1.496 1.894 1.00 0.00 H new