USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 479 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 34 CYS SG : rot 140:sc= -0.379 USER MOD Set 1.2: A 37 GLN : amide:sc= -3.61! C(o=-4!,f=-10!) USER MOD Single : A 16 SER OG : rot 180:sc=0.000425 USER MOD Single : A 17 HIS : no HD1:sc=-0.000146 X(o=-0.00015,f=-0.32) USER MOD Single : A 22 ASN : amide:sc= -0.807 K(o=-0.81,f=-9.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.894 K(o=-0.89,f=-4.9!) USER MOD Single : A 31 THR OG1 : rot 100:sc= -2.01 USER MOD Single : A 33 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 46 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.4) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0472) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -7.080 -8.114 -5.085 1.00 0.00 N ATOM 152 CA PRO A 10 -5.635 -8.378 -5.265 1.00 0.00 C ATOM 153 C PRO A 10 -4.849 -8.323 -3.957 1.00 0.00 C ATOM 154 O PRO A 10 -4.292 -9.328 -3.513 1.00 0.00 O ATOM 155 CB PRO A 10 -5.199 -7.269 -6.215 1.00 0.00 C ATOM 156 CG PRO A 10 -6.203 -6.139 -6.068 1.00 0.00 C ATOM 157 CD PRO A 10 -7.494 -6.753 -5.520 1.00 0.00 C ATOM 0 HA PRO A 10 -5.448 -9.383 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.194 -6.926 -5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.172 -7.630 -7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.824 -5.372 -5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.383 -5.656 -7.029 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.893 -6.171 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.272 -6.796 -6.282 1.00 0.00 H new ATOM 165 N CYS A 11 -4.804 -7.146 -3.346 1.00 0.00 N ATOM 166 CA CYS A 11 -4.074 -6.990 -2.089 1.00 0.00 C ATOM 167 C CYS A 11 -4.724 -7.819 -0.990 1.00 0.00 C ATOM 168 O CYS A 11 -5.941 -7.997 -0.955 1.00 0.00 O ATOM 169 CB CYS A 11 -4.036 -5.525 -1.644 1.00 0.00 C ATOM 170 SG CYS A 11 -2.698 -4.664 -2.506 1.00 0.00 S ATOM 0 H CYS A 11 -5.254 -6.298 -3.690 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.055 -7.335 -2.262 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.990 -5.044 -1.860 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.885 -5.466 -0.566 1.00 0.00 H new ATOM 175 N ARG A 12 -3.886 -8.319 -0.093 1.00 0.00 N ATOM 176 CA ARG A 12 -4.358 -9.132 1.024 1.00 0.00 C ATOM 177 C ARG A 12 -3.592 -8.767 2.287 1.00 0.00 C ATOM 178 O ARG A 12 -4.177 -8.527 3.343 1.00 0.00 O ATOM 179 CB ARG A 12 -4.156 -10.621 0.728 1.00 0.00 C ATOM 180 CG ARG A 12 -5.116 -11.068 -0.383 1.00 0.00 C ATOM 181 CD ARG A 12 -6.253 -11.899 0.216 1.00 0.00 C ATOM 182 NE ARG A 12 -7.180 -11.047 0.956 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.207 -11.569 1.623 1.00 0.00 C ATOM 184 NH1 ARG A 12 -7.999 -12.231 2.728 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.422 -11.420 1.171 1.00 0.00 N ATOM 0 H ARG A 12 -2.876 -8.177 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.421 -8.937 1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.125 -10.804 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.332 -11.207 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.522 -10.197 -0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.577 -11.655 -1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.786 -12.421 -0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.843 -12.661 0.879 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.038 -10.037 0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.049 -12.349 3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.786 -12.631 3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.585 -10.904 0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.209 -11.820 1.682 1.00 0.00 H new ATOM 199 N PHE A 13 -2.271 -8.720 2.159 1.00 0.00 N ATOM 200 CA PHE A 13 -1.413 -8.371 3.285 1.00 0.00 C ATOM 201 C PHE A 13 -0.754 -7.023 3.030 1.00 0.00 C ATOM 202 O PHE A 13 -0.240 -6.764 1.942 1.00 0.00 O ATOM 203 CB PHE A 13 -0.324 -9.427 3.491 1.00 0.00 C ATOM 204 CG PHE A 13 -0.951 -10.799 3.557 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.462 -11.278 4.769 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.021 -11.593 2.406 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.043 -12.550 4.831 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.602 -12.866 2.467 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.113 -13.344 3.679 1.00 0.00 C ATOM 0 H PHE A 13 -1.773 -8.918 1.291 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.032 -8.323 4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.396 -9.385 2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.225 -9.223 4.410 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.408 -10.666 5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.627 -11.224 1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.437 -12.919 5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.656 -13.478 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.561 -14.325 3.726 1.00 0.00 H new ATOM 219 N PHE A 14 -0.778 -6.161 4.040 1.00 0.00 N ATOM 220 CA PHE A 14 -0.185 -4.835 3.904 1.00 0.00 C ATOM 221 C PHE A 14 1.066 -4.709 4.761 1.00 0.00 C ATOM 222 O PHE A 14 1.078 -5.090 5.931 1.00 0.00 O ATOM 223 CB PHE A 14 -1.179 -3.756 4.330 1.00 0.00 C ATOM 224 CG PHE A 14 -2.138 -3.489 3.201 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.950 -4.515 2.709 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.208 -2.212 2.646 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.836 -4.259 1.656 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.092 -1.952 1.595 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.908 -2.976 1.099 1.00 0.00 C ATOM 0 H PHE A 14 -1.196 -6.352 4.951 1.00 0.00 H new ATOM 0 HA PHE A 14 0.079 -4.701 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.724 -4.078 5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.649 -2.842 4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.894 -5.503 3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.578 -1.422 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.464 -5.050 1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.146 -0.962 1.166 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.592 -2.777 0.288 1.00 0.00 H new ATOM 239 N GLU A 15 2.115 -4.158 4.164 1.00 0.00 N ATOM 240 CA GLU A 15 3.368 -3.971 4.884 1.00 0.00 C ATOM 241 C GLU A 15 3.503 -2.516 5.329 1.00 0.00 C ATOM 242 O GLU A 15 4.262 -1.738 4.752 1.00 0.00 O ATOM 243 CB GLU A 15 4.559 -4.345 3.997 1.00 0.00 C ATOM 244 CG GLU A 15 5.802 -4.539 4.867 1.00 0.00 C ATOM 245 CD GLU A 15 5.813 -5.956 5.429 1.00 0.00 C ATOM 246 OE1 GLU A 15 5.746 -6.885 4.642 1.00 0.00 O ATOM 247 OE2 GLU A 15 5.890 -6.092 6.640 1.00 0.00 O ATOM 0 H GLU A 15 2.125 -3.837 3.196 1.00 0.00 H new ATOM 0 HA GLU A 15 3.361 -4.620 5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.342 -5.260 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.737 -3.562 3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.702 -4.363 4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.806 -3.814 5.681 1.00 0.00 H new ATOM 254 N SER A 16 2.751 -2.157 6.369 1.00 0.00 N ATOM 255 CA SER A 16 2.787 -0.791 6.891 1.00 0.00 C ATOM 256 C SER A 16 4.205 -0.408 7.315 1.00 0.00 C ATOM 257 O SER A 16 4.575 0.766 7.296 1.00 0.00 O ATOM 258 CB SER A 16 1.853 -0.651 8.094 1.00 0.00 C ATOM 259 OG SER A 16 2.078 -1.731 8.991 1.00 0.00 O ATOM 0 H SER A 16 2.116 -2.785 6.862 1.00 0.00 H new ATOM 0 HA SER A 16 2.458 -0.124 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.031 0.299 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.814 -0.647 7.764 1.00 0.00 H new ATOM 0 HG SER A 16 1.482 -1.644 9.764 1.00 0.00 H new ATOM 265 N HIS A 17 4.995 -1.413 7.691 1.00 0.00 N ATOM 266 CA HIS A 17 6.375 -1.170 8.110 1.00 0.00 C ATOM 267 C HIS A 17 7.175 -0.484 6.999 1.00 0.00 C ATOM 268 O HIS A 17 8.202 0.142 7.257 1.00 0.00 O ATOM 269 CB HIS A 17 7.060 -2.489 8.474 1.00 0.00 C ATOM 270 CG HIS A 17 6.377 -3.096 9.668 1.00 0.00 C ATOM 271 ND1 HIS A 17 5.332 -3.996 9.543 1.00 0.00 N ATOM 272 CD2 HIS A 17 6.581 -2.942 11.017 1.00 0.00 C ATOM 273 CE1 HIS A 17 4.946 -4.347 10.784 1.00 0.00 C ATOM 274 NE2 HIS A 17 5.675 -3.733 11.720 1.00 0.00 N ATOM 0 H HIS A 17 4.708 -2.392 7.714 1.00 0.00 H new ATOM 0 HA HIS A 17 6.345 -0.517 8.982 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.019 -3.177 7.630 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.113 -2.316 8.694 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.329 -2.305 11.465 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.145 -5.040 10.997 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.587 -3.824 12.732 1.00 0.00 H new ATOM 282 N VAL A 18 6.694 -0.604 5.756 1.00 0.00 N ATOM 283 CA VAL A 18 7.369 0.009 4.616 1.00 0.00 C ATOM 284 C VAL A 18 7.540 1.512 4.839 1.00 0.00 C ATOM 285 O VAL A 18 6.793 2.140 5.590 1.00 0.00 O ATOM 286 CB VAL A 18 6.559 -0.228 3.329 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.265 0.411 2.126 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.428 -1.732 3.083 1.00 0.00 C ATOM 0 H VAL A 18 5.845 -1.117 5.519 1.00 0.00 H new ATOM 0 HA VAL A 18 8.353 -0.450 4.514 1.00 0.00 H new ATOM 0 HB VAL A 18 5.574 0.223 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.679 0.234 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.364 1.484 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.255 -0.031 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.855 -1.903 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.420 -2.171 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.916 -2.195 3.926 1.00 0.00 H new ATOM 298 N ALA A 19 8.531 2.067 4.164 1.00 0.00 N ATOM 299 CA ALA A 19 8.817 3.489 4.261 1.00 0.00 C ATOM 300 C ALA A 19 9.268 4.013 2.904 1.00 0.00 C ATOM 301 O ALA A 19 10.006 3.348 2.179 1.00 0.00 O ATOM 302 CB ALA A 19 9.913 3.750 5.294 1.00 0.00 C ATOM 0 H ALA A 19 9.154 1.553 3.540 1.00 0.00 H new ATOM 0 HA ALA A 19 7.909 4.004 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.112 4.820 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.587 3.389 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.823 3.227 4.999 1.00 0.00 H new ATOM 308 N ARG A 20 8.801 5.213 2.569 1.00 0.00 N ATOM 309 CA ARG A 20 9.130 5.853 1.287 1.00 0.00 C ATOM 310 C ARG A 20 10.608 5.694 0.911 1.00 0.00 C ATOM 311 O ARG A 20 10.960 5.665 -0.269 1.00 0.00 O ATOM 312 CB ARG A 20 8.803 7.340 1.354 1.00 0.00 C ATOM 313 CG ARG A 20 8.432 7.848 -0.040 1.00 0.00 C ATOM 314 CD ARG A 20 7.947 9.295 0.056 1.00 0.00 C ATOM 315 NE ARG A 20 7.113 9.635 -1.094 1.00 0.00 N ATOM 316 CZ ARG A 20 6.954 10.901 -1.475 1.00 0.00 C ATOM 317 NH1 ARG A 20 7.805 11.447 -2.299 1.00 0.00 N ATOM 318 NH2 ARG A 20 5.946 11.595 -1.022 1.00 0.00 N ATOM 0 H ARG A 20 8.190 5.769 3.168 1.00 0.00 H new ATOM 0 HA ARG A 20 8.532 5.356 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.978 7.510 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.660 7.894 1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.295 7.786 -0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.653 7.220 -0.472 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.380 9.434 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.803 9.969 0.103 1.00 0.00 H new ATOM 0 HE ARG A 20 6.645 8.892 -1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.593 10.904 -2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.682 12.417 -2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.281 11.168 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.823 12.565 -1.313 1.00 0.00 H new ATOM 332 N ALA A 21 11.466 5.596 1.922 1.00 0.00 N ATOM 333 CA ALA A 21 12.900 5.447 1.680 1.00 0.00 C ATOM 334 C ALA A 21 13.191 4.191 0.864 1.00 0.00 C ATOM 335 O ALA A 21 13.735 4.261 -0.238 1.00 0.00 O ATOM 336 CB ALA A 21 13.660 5.368 3.004 1.00 0.00 C ATOM 0 H ALA A 21 11.199 5.617 2.906 1.00 0.00 H new ATOM 0 HA ALA A 21 13.231 6.321 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.726 5.257 2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.490 6.280 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.306 4.510 3.576 1.00 0.00 H new ATOM 342 N ASN A 22 12.830 3.043 1.423 1.00 0.00 N ATOM 343 CA ASN A 22 13.063 1.770 0.751 1.00 0.00 C ATOM 344 C ASN A 22 12.023 1.503 -0.341 1.00 0.00 C ATOM 345 O ASN A 22 12.140 0.530 -1.085 1.00 0.00 O ATOM 346 CB ASN A 22 13.026 0.628 1.764 1.00 0.00 C ATOM 347 CG ASN A 22 11.709 0.660 2.529 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.428 1.614 3.255 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.877 -0.338 2.412 1.00 0.00 N ATOM 0 H ASN A 22 12.378 2.966 2.334 1.00 0.00 H new ATOM 0 HA ASN A 22 14.046 1.826 0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.137 -0.328 1.252 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.862 0.717 2.457 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.994 -0.328 2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.110 -1.128 1.811 1.00 0.00 H new ATOM 356 N VAL A 23 11.009 2.366 -0.449 1.00 0.00 N ATOM 357 CA VAL A 23 9.987 2.177 -1.477 1.00 0.00 C ATOM 358 C VAL A 23 10.544 2.593 -2.835 1.00 0.00 C ATOM 359 O VAL A 23 11.210 3.621 -2.962 1.00 0.00 O ATOM 360 CB VAL A 23 8.733 3.000 -1.156 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.643 2.721 -2.199 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.210 2.618 0.238 1.00 0.00 C ATOM 0 H VAL A 23 10.876 3.183 0.148 1.00 0.00 H new ATOM 0 HA VAL A 23 9.710 1.123 -1.502 1.00 0.00 H new ATOM 0 HB VAL A 23 8.989 4.059 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.756 3.309 -1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.008 2.994 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.390 1.661 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.319 3.203 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.961 1.557 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.978 2.823 0.984 1.00 0.00 H new ATOM 372 N LYS A 24 10.274 1.774 -3.844 1.00 0.00 N ATOM 373 CA LYS A 24 10.762 2.052 -5.192 1.00 0.00 C ATOM 374 C LYS A 24 9.756 2.890 -5.971 1.00 0.00 C ATOM 375 O LYS A 24 10.085 3.961 -6.482 1.00 0.00 O ATOM 376 CB LYS A 24 11.012 0.746 -5.948 1.00 0.00 C ATOM 377 CG LYS A 24 12.047 0.984 -7.050 1.00 0.00 C ATOM 378 CD LYS A 24 12.491 -0.359 -7.634 1.00 0.00 C ATOM 379 CE LYS A 24 13.107 -0.141 -9.018 1.00 0.00 C ATOM 380 NZ LYS A 24 12.086 -0.423 -10.067 1.00 0.00 N ATOM 0 H LYS A 24 9.725 0.919 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 24 11.695 2.607 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.367 -0.022 -5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.081 0.380 -6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.621 1.610 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.907 1.519 -6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.217 -0.832 -6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.639 -1.034 -7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.466 0.884 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.970 -0.794 -9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.504 -0.275 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.764 -1.408 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.276 0.217 -9.944 1.00 0.00 H new ATOM 394 N HIS A 25 8.527 2.392 -6.061 1.00 0.00 N ATOM 395 CA HIS A 25 7.483 3.110 -6.789 1.00 0.00 C ATOM 396 C HIS A 25 6.115 2.830 -6.181 1.00 0.00 C ATOM 397 O HIS A 25 5.977 2.012 -5.271 1.00 0.00 O ATOM 398 CB HIS A 25 7.470 2.688 -8.260 1.00 0.00 C ATOM 399 CG HIS A 25 8.406 3.566 -9.044 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.273 4.945 -9.077 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.495 3.276 -9.829 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.255 5.429 -9.857 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.029 4.453 -10.342 1.00 0.00 N ATOM 0 H HIS A 25 8.231 1.508 -5.647 1.00 0.00 H new ATOM 0 HA HIS A 25 7.699 4.176 -6.717 1.00 0.00 H new ATOM 0 HB2 HIS A 25 7.771 1.644 -8.352 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.460 2.765 -8.662 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.878 2.284 -10.019 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.401 6.478 -10.066 1.00 0.00 H new ATOM 0 HE2 HIS A 25 10.837 4.551 -10.956 1.00 0.00 H new ATOM 411 N LEU A 26 5.098 3.519 -6.698 1.00 0.00 N ATOM 412 CA LEU A 26 3.741 3.334 -6.195 1.00 0.00 C ATOM 413 C LEU A 26 2.768 3.056 -7.332 1.00 0.00 C ATOM 414 O LEU A 26 2.824 3.677 -8.393 1.00 0.00 O ATOM 415 CB LEU A 26 3.249 4.573 -5.451 1.00 0.00 C ATOM 416 CG LEU A 26 3.974 4.724 -4.110 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.436 5.959 -3.382 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.725 3.490 -3.239 1.00 0.00 C ATOM 0 H LEU A 26 5.187 4.199 -7.453 1.00 0.00 H new ATOM 0 HA LEU A 26 3.776 2.483 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.416 5.460 -6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.175 4.499 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 26 5.043 4.830 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.949 6.071 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.609 6.845 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.366 5.841 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.244 3.606 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.656 3.382 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.098 2.603 -3.750 1.00 0.00 H new ATOM 430 N LYS A 27 1.861 2.127 -7.074 1.00 0.00 N ATOM 431 CA LYS A 27 0.841 1.767 -8.055 1.00 0.00 C ATOM 432 C LYS A 27 -0.485 1.513 -7.343 1.00 0.00 C ATOM 433 O LYS A 27 -0.513 1.278 -6.137 1.00 0.00 O ATOM 434 CB LYS A 27 1.251 0.507 -8.826 1.00 0.00 C ATOM 435 CG LYS A 27 1.964 0.908 -10.119 1.00 0.00 C ATOM 436 CD LYS A 27 3.469 1.012 -9.863 1.00 0.00 C ATOM 437 CE LYS A 27 4.145 -0.310 -10.233 1.00 0.00 C ATOM 438 NZ LYS A 27 5.279 -0.566 -9.301 1.00 0.00 N ATOM 0 H LYS A 27 1.807 1.608 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 27 0.733 2.591 -8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.908 -0.110 -8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.371 -0.094 -9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.767 0.172 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.579 1.862 -10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.893 1.826 -10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.655 1.246 -8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.425 -1.126 -10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.507 -0.271 -11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.739 -1.464 -9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.969 0.208 -9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.921 -0.621 -8.326 1.00 0.00 H new ATOM 452 N ILE A 28 -1.583 1.567 -8.091 1.00 0.00 N ATOM 453 CA ILE A 28 -2.897 1.340 -7.503 1.00 0.00 C ATOM 454 C ILE A 28 -3.710 0.377 -8.364 1.00 0.00 C ATOM 455 O ILE A 28 -3.586 0.359 -9.588 1.00 0.00 O ATOM 456 CB ILE A 28 -3.660 2.660 -7.375 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.801 3.674 -6.616 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.963 2.425 -6.610 1.00 0.00 C ATOM 459 CD1 ILE A 28 -3.473 5.047 -6.658 1.00 0.00 C ATOM 0 H ILE A 28 -1.590 1.763 -9.092 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.752 0.906 -6.514 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.886 3.045 -8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.670 3.353 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.808 3.730 -7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.506 3.366 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.576 1.703 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.737 2.039 -5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.861 5.769 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.581 5.367 -7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.457 4.985 -6.193 1.00 0.00 H new ATOM 471 N LEU A 29 -4.548 -0.417 -7.704 1.00 0.00 N ATOM 472 CA LEU A 29 -5.389 -1.377 -8.413 1.00 0.00 C ATOM 473 C LEU A 29 -6.858 -1.000 -8.262 1.00 0.00 C ATOM 474 O LEU A 29 -7.387 -0.932 -7.152 1.00 0.00 O ATOM 475 CB LEU A 29 -5.178 -2.788 -7.861 1.00 0.00 C ATOM 476 CG LEU A 29 -3.981 -3.436 -8.560 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.557 -4.688 -7.791 1.00 0.00 C ATOM 478 CD2 LEU A 29 -4.374 -3.824 -9.987 1.00 0.00 C ATOM 0 H LEU A 29 -4.663 -0.416 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.111 -1.358 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.006 -2.747 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.074 -3.389 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.151 -2.730 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.704 -5.150 -8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.278 -4.413 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.386 -5.395 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.522 -4.286 -10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.203 -4.531 -9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.677 -2.932 -10.536 1.00 0.00 H new ATOM 490 N ASN A 30 -7.513 -0.751 -9.392 1.00 0.00 N ATOM 491 CA ASN A 30 -8.925 -0.378 -9.377 1.00 0.00 C ATOM 492 C ASN A 30 -9.807 -1.626 -9.435 1.00 0.00 C ATOM 493 O ASN A 30 -10.662 -1.769 -10.311 1.00 0.00 O ATOM 494 CB ASN A 30 -9.248 0.533 -10.565 1.00 0.00 C ATOM 495 CG ASN A 30 -10.424 1.436 -10.210 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.356 2.207 -9.252 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.511 1.387 -10.932 1.00 0.00 N ATOM 0 H ASN A 30 -7.095 -0.800 -10.321 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.127 0.158 -8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.377 1.136 -10.821 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.489 -0.068 -11.442 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.303 1.987 -10.702 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.568 0.749 -11.726 1.00 0.00 H new ATOM 504 N THR A 31 -9.588 -2.527 -8.484 1.00 0.00 N ATOM 505 CA THR A 31 -10.362 -3.763 -8.419 1.00 0.00 C ATOM 506 C THR A 31 -11.839 -3.448 -8.148 1.00 0.00 C ATOM 507 O THR A 31 -12.144 -2.564 -7.349 1.00 0.00 O ATOM 508 CB THR A 31 -9.827 -4.654 -7.294 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.427 -4.827 -7.456 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.517 -6.016 -7.332 1.00 0.00 C ATOM 0 H THR A 31 -8.886 -2.427 -7.751 1.00 0.00 H new ATOM 0 HA THR A 31 -10.270 -4.281 -9.374 1.00 0.00 H new ATOM 0 HB THR A 31 -10.030 -4.179 -6.334 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.950 -4.221 -6.851 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.130 -6.642 -6.528 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.591 -5.883 -7.203 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.323 -6.496 -8.291 1.00 0.00 H new ATOM 518 N PRO A 32 -12.779 -4.158 -8.798 1.00 0.00 N ATOM 519 CA PRO A 32 -14.222 -3.918 -8.586 1.00 0.00 C ATOM 520 C PRO A 32 -14.719 -4.512 -7.273 1.00 0.00 C ATOM 521 O PRO A 32 -15.531 -3.912 -6.571 1.00 0.00 O ATOM 522 CB PRO A 32 -14.866 -4.605 -9.782 1.00 0.00 C ATOM 523 CG PRO A 32 -13.885 -5.659 -10.267 1.00 0.00 C ATOM 524 CD PRO A 32 -12.497 -5.243 -9.774 1.00 0.00 C ATOM 0 HA PRO A 32 -14.462 -2.857 -8.514 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.815 -5.061 -9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.081 -3.885 -10.572 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.153 -6.642 -9.879 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.902 -5.730 -11.355 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.972 -6.076 -9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.870 -4.891 -10.593 1.00 0.00 H new ATOM 532 N ASN A 33 -14.208 -5.695 -6.944 1.00 0.00 N ATOM 533 CA ASN A 33 -14.589 -6.360 -5.706 1.00 0.00 C ATOM 534 C ASN A 33 -14.209 -5.495 -4.504 1.00 0.00 C ATOM 535 O ASN A 33 -14.865 -5.527 -3.463 1.00 0.00 O ATOM 536 CB ASN A 33 -13.891 -7.716 -5.586 1.00 0.00 C ATOM 537 CG ASN A 33 -14.639 -8.585 -4.580 1.00 0.00 C ATOM 538 OD1 ASN A 33 -15.868 -8.566 -4.526 1.00 0.00 O ATOM 539 ND2 ASN A 33 -13.962 -9.354 -3.771 1.00 0.00 N ATOM 0 H ASN A 33 -13.535 -6.208 -7.513 1.00 0.00 H new ATOM 0 HA ASN A 33 -15.668 -6.512 -5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.861 -8.209 -6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.858 -7.578 -5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.452 -9.939 -3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.943 -9.370 -3.816 1.00 0.00 H new ATOM 546 N CYS A 34 -13.139 -4.717 -4.668 1.00 0.00 N ATOM 547 CA CYS A 34 -12.673 -3.835 -3.602 1.00 0.00 C ATOM 548 C CYS A 34 -12.788 -2.380 -4.048 1.00 0.00 C ATOM 549 O CYS A 34 -13.287 -2.092 -5.137 1.00 0.00 O ATOM 550 CB CYS A 34 -11.214 -4.145 -3.252 1.00 0.00 C ATOM 551 SG CYS A 34 -11.159 -5.481 -2.030 1.00 0.00 S ATOM 0 H CYS A 34 -12.583 -4.680 -5.523 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.293 -3.998 -2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.667 -4.435 -4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.726 -3.254 -2.856 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.183 -6.290 -2.316 1.00 0.00 H new ATOM 556 N ALA A 35 -12.328 -1.465 -3.201 1.00 0.00 N ATOM 557 CA ALA A 35 -12.397 -0.043 -3.531 1.00 0.00 C ATOM 558 C ALA A 35 -11.120 0.408 -4.245 1.00 0.00 C ATOM 559 O ALA A 35 -11.083 0.502 -5.471 1.00 0.00 O ATOM 560 CB ALA A 35 -12.613 0.794 -2.265 1.00 0.00 C ATOM 0 H ALA A 35 -11.910 -1.676 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.244 0.108 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.662 1.850 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.546 0.497 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.785 0.631 -1.576 1.00 0.00 H new ATOM 566 N LEU A 36 -10.074 0.686 -3.467 1.00 0.00 N ATOM 567 CA LEU A 36 -8.801 1.127 -4.037 1.00 0.00 C ATOM 568 C LEU A 36 -7.651 0.726 -3.122 1.00 0.00 C ATOM 569 O LEU A 36 -7.369 1.392 -2.126 1.00 0.00 O ATOM 570 CB LEU A 36 -8.787 2.650 -4.207 1.00 0.00 C ATOM 571 CG LEU A 36 -9.369 3.026 -5.572 1.00 0.00 C ATOM 572 CD1 LEU A 36 -9.465 4.549 -5.682 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.458 2.494 -6.682 1.00 0.00 C ATOM 0 H LEU A 36 -10.082 0.615 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.683 0.652 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.368 3.119 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.767 3.025 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.362 2.588 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.879 4.818 -6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.113 4.931 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.471 4.985 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.873 2.762 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.465 2.931 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.386 1.409 -6.605 1.00 0.00 H new ATOM 585 N GLN A 37 -6.985 -0.370 -3.471 1.00 0.00 N ATOM 586 CA GLN A 37 -5.861 -0.851 -2.676 1.00 0.00 C ATOM 587 C GLN A 37 -4.550 -0.357 -3.275 1.00 0.00 C ATOM 588 O GLN A 37 -4.166 -0.755 -4.376 1.00 0.00 O ATOM 589 CB GLN A 37 -5.850 -2.384 -2.629 1.00 0.00 C ATOM 590 CG GLN A 37 -7.219 -2.887 -2.169 1.00 0.00 C ATOM 591 CD GLN A 37 -7.306 -4.393 -2.364 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.688 -4.943 -3.274 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.048 -5.099 -1.555 1.00 0.00 N ATOM 0 H GLN A 37 -7.201 -0.937 -4.291 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.969 -0.465 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.614 -2.787 -3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.074 -2.733 -1.947 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.375 -2.637 -1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.008 -2.391 -2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.559 -4.640 -0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.116 -6.109 -1.677 1.00 0.00 H new ATOM 602 N ILE A 38 -3.869 0.524 -2.544 1.00 0.00 N ATOM 603 CA ILE A 38 -2.605 1.070 -3.026 1.00 0.00 C ATOM 604 C ILE A 38 -1.508 0.018 -2.955 1.00 0.00 C ATOM 605 O ILE A 38 -1.175 -0.499 -1.885 1.00 0.00 O ATOM 606 CB ILE A 38 -2.177 2.291 -2.210 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.330 3.297 -2.154 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.962 2.945 -2.877 1.00 0.00 C ATOM 609 CD1 ILE A 38 -2.983 4.420 -1.174 1.00 0.00 C ATOM 0 H ILE A 38 -4.166 0.869 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.758 1.374 -4.061 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.916 1.981 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.514 3.710 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.247 2.798 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.654 3.816 -2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.141 2.229 -2.920 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.225 3.256 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.804 5.136 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.820 4.000 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.077 4.926 -1.507 1.00 0.00 H new ATOM 621 N VAL A 39 -0.933 -0.271 -4.112 1.00 0.00 N ATOM 622 CA VAL A 39 0.145 -1.242 -4.190 1.00 0.00 C ATOM 623 C VAL A 39 1.470 -0.505 -4.300 1.00 0.00 C ATOM 624 O VAL A 39 1.500 0.716 -4.461 1.00 0.00 O ATOM 625 CB VAL A 39 -0.034 -2.180 -5.394 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.352 -2.951 -5.254 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.056 -1.369 -6.693 1.00 0.00 C ATOM 0 H VAL A 39 -1.193 0.150 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 39 0.130 -1.853 -3.287 1.00 0.00 H new ATOM 0 HB VAL A 39 0.800 -2.881 -5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.477 -3.616 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.334 -3.539 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.183 -2.247 -5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.183 -2.043 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.884 -0.660 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.883 -0.826 -6.799 1.00 0.00 H new ATOM 637 N ALA A 40 2.558 -1.245 -4.192 1.00 0.00 N ATOM 638 CA ALA A 40 3.872 -0.630 -4.261 1.00 0.00 C ATOM 639 C ALA A 40 4.941 -1.654 -4.574 1.00 0.00 C ATOM 640 O ALA A 40 4.664 -2.840 -4.724 1.00 0.00 O ATOM 641 CB ALA A 40 4.213 0.015 -2.925 1.00 0.00 C ATOM 0 H ALA A 40 2.561 -2.256 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 40 3.843 0.117 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.200 0.474 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.471 0.778 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.213 -0.745 -2.143 1.00 0.00 H new ATOM 647 N ARG A 41 6.172 -1.169 -4.645 1.00 0.00 N ATOM 648 CA ARG A 41 7.311 -2.034 -4.912 1.00 0.00 C ATOM 649 C ARG A 41 8.520 -1.554 -4.116 1.00 0.00 C ATOM 650 O ARG A 41 9.014 -0.442 -4.319 1.00 0.00 O ATOM 651 CB ARG A 41 7.643 -2.048 -6.400 1.00 0.00 C ATOM 652 CG ARG A 41 8.223 -3.412 -6.777 1.00 0.00 C ATOM 653 CD ARG A 41 9.202 -3.250 -7.939 1.00 0.00 C ATOM 654 NE ARG A 41 8.528 -2.685 -9.104 1.00 0.00 N ATOM 655 CZ ARG A 41 9.175 -2.518 -10.255 1.00 0.00 C ATOM 656 NH1 ARG A 41 10.026 -3.420 -10.663 1.00 0.00 N ATOM 657 NH2 ARG A 41 8.958 -1.452 -10.976 1.00 0.00 N ATOM 0 H ARG A 41 6.407 -0.184 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 41 7.054 -3.049 -4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.746 -1.847 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.359 -1.259 -6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.731 -3.852 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.421 -4.095 -7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.026 -2.603 -7.640 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.634 -4.217 -8.196 1.00 0.00 H new ATOM 0 HE ARG A 41 7.547 -2.414 -9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.195 -4.253 -10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.522 -3.292 -11.545 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.293 -0.747 -10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.454 -1.323 -11.858 1.00 0.00 H new ATOM 671 N LEU A 42 8.974 -2.402 -3.191 1.00 0.00 N ATOM 672 CA LEU A 42 10.110 -2.063 -2.341 1.00 0.00 C ATOM 673 C LEU A 42 11.428 -2.273 -3.073 1.00 0.00 C ATOM 674 O LEU A 42 11.522 -3.068 -4.013 1.00 0.00 O ATOM 675 CB LEU A 42 10.116 -2.919 -1.074 1.00 0.00 C ATOM 676 CG LEU A 42 8.723 -2.935 -0.437 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.733 -3.859 0.779 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.344 -1.520 0.005 1.00 0.00 C ATOM 0 H LEU A 42 8.573 -3.323 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 42 10.007 -1.011 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.425 -3.936 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.843 -2.525 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 42 7.996 -3.294 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.743 -3.872 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.002 -4.868 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.461 -3.497 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.353 -1.534 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.071 -1.159 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.338 -0.858 -0.861 1.00 0.00 H new ATOM 690 N LYS A 43 12.443 -1.546 -2.614 1.00 0.00 N ATOM 691 CA LYS A 43 13.779 -1.623 -3.199 1.00 0.00 C ATOM 692 C LYS A 43 14.628 -2.652 -2.460 1.00 0.00 C ATOM 693 O LYS A 43 15.101 -3.627 -3.044 1.00 0.00 O ATOM 694 CB LYS A 43 14.466 -0.251 -3.115 1.00 0.00 C ATOM 695 CG LYS A 43 14.438 0.431 -4.485 1.00 0.00 C ATOM 696 CD LYS A 43 15.514 -0.184 -5.384 1.00 0.00 C ATOM 697 CE LYS A 43 16.831 0.569 -5.192 1.00 0.00 C ATOM 698 NZ LYS A 43 17.972 -0.377 -5.352 1.00 0.00 N ATOM 0 H LYS A 43 12.365 -0.893 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 43 13.680 -1.924 -4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.961 0.374 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.496 -0.370 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.456 0.312 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.610 1.502 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.647 -1.238 -5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.203 -0.134 -6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.910 1.377 -5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.860 1.027 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.868 0.135 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.898 -1.133 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.947 -0.793 -6.305 1.00 0.00 H new ATOM 712 N ASN A 44 14.822 -2.415 -1.163 1.00 0.00 N ATOM 713 CA ASN A 44 15.622 -3.314 -0.326 1.00 0.00 C ATOM 714 C ASN A 44 15.191 -4.771 -0.505 1.00 0.00 C ATOM 715 O ASN A 44 15.990 -5.695 -0.348 1.00 0.00 O ATOM 716 CB ASN A 44 15.481 -2.934 1.150 1.00 0.00 C ATOM 717 CG ASN A 44 16.457 -1.812 1.482 1.00 0.00 C ATOM 718 OD1 ASN A 44 17.496 -2.047 2.099 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.183 -0.592 1.106 1.00 0.00 N ATOM 0 H ASN A 44 14.438 -1.610 -0.668 1.00 0.00 H new ATOM 0 HA ASN A 44 16.661 -3.211 -0.638 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.460 -2.615 1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.679 -3.801 1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.830 0.166 1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.322 -0.397 0.595 1.00 0.00 H new ATOM 726 N ASN A 45 13.919 -4.960 -0.841 1.00 0.00 N ATOM 727 CA ASN A 45 13.387 -6.303 -1.048 1.00 0.00 C ATOM 728 C ASN A 45 13.239 -6.593 -2.540 1.00 0.00 C ATOM 729 O ASN A 45 13.298 -7.745 -2.968 1.00 0.00 O ATOM 730 CB ASN A 45 12.021 -6.450 -0.377 1.00 0.00 C ATOM 731 CG ASN A 45 12.120 -6.031 1.086 1.00 0.00 C ATOM 732 OD1 ASN A 45 12.505 -6.828 1.942 1.00 0.00 O ATOM 733 ND2 ASN A 45 11.795 -4.815 1.427 1.00 0.00 N ATOM 0 H ASN A 45 13.243 -4.208 -0.975 1.00 0.00 H new ATOM 0 HA ASN A 45 14.086 -7.012 -0.605 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.284 -5.835 -0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.680 -7.483 -0.447 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.860 -4.524 2.403 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.476 -4.155 0.718 1.00 0.00 H new ATOM 740 N ASN A 46 13.034 -5.535 -3.328 1.00 0.00 N ATOM 741 CA ASN A 46 12.867 -5.692 -4.771 1.00 0.00 C ATOM 742 C ASN A 46 11.632 -6.540 -5.057 1.00 0.00 C ATOM 743 O ASN A 46 11.676 -7.507 -5.820 1.00 0.00 O ATOM 744 CB ASN A 46 14.101 -6.358 -5.391 1.00 0.00 C ATOM 745 CG ASN A 46 15.347 -5.555 -5.034 1.00 0.00 C ATOM 746 OD1 ASN A 46 15.979 -5.802 -4.006 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.743 -4.599 -5.829 1.00 0.00 N ATOM 0 H ASN A 46 12.980 -4.572 -2.995 1.00 0.00 H new ATOM 0 HA ASN A 46 12.745 -4.704 -5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.198 -7.380 -5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.991 -6.416 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.576 -4.057 -5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.220 -4.394 -6.680 1.00 0.00 H new ATOM 754 N ARG A 47 10.525 -6.166 -4.421 1.00 0.00 N ATOM 755 CA ARG A 47 9.273 -6.899 -4.598 1.00 0.00 C ATOM 756 C ARG A 47 8.080 -5.959 -4.468 1.00 0.00 C ATOM 757 O ARG A 47 8.211 -4.833 -3.992 1.00 0.00 O ATOM 758 CB ARG A 47 9.146 -8.006 -3.549 1.00 0.00 C ATOM 759 CG ARG A 47 10.016 -9.201 -3.950 1.00 0.00 C ATOM 760 CD ARG A 47 9.428 -9.883 -5.190 1.00 0.00 C ATOM 761 NE ARG A 47 8.819 -11.162 -4.834 1.00 0.00 N ATOM 762 CZ ARG A 47 9.490 -12.302 -4.973 1.00 0.00 C ATOM 763 NH1 ARG A 47 10.645 -12.455 -4.385 1.00 0.00 N ATOM 764 NH2 ARG A 47 8.993 -13.267 -5.698 1.00 0.00 N ATOM 0 H ARG A 47 10.468 -5.370 -3.786 1.00 0.00 H new ATOM 0 HA ARG A 47 9.283 -7.340 -5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.453 -7.632 -2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.105 -8.316 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.033 -8.868 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.074 -9.912 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.682 -9.234 -5.649 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.212 -10.041 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 47 7.865 -11.181 -4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.033 -11.700 -3.819 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.160 -13.329 -4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.090 -13.147 -6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.507 -14.141 -5.805 1.00 0.00 H new ATOM 778 N GLN A 48 6.914 -6.438 -4.900 1.00 0.00 N ATOM 779 CA GLN A 48 5.698 -5.631 -4.833 1.00 0.00 C ATOM 780 C GLN A 48 4.961 -5.865 -3.517 1.00 0.00 C ATOM 781 O GLN A 48 4.788 -7.004 -3.082 1.00 0.00 O ATOM 782 CB GLN A 48 4.765 -5.981 -5.997 1.00 0.00 C ATOM 783 CG GLN A 48 3.593 -4.998 -6.032 1.00 0.00 C ATOM 784 CD GLN A 48 2.428 -5.621 -6.793 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.511 -5.830 -8.003 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.337 -5.934 -6.150 1.00 0.00 N ATOM 0 H GLN A 48 6.787 -7.370 -5.295 1.00 0.00 H new ATOM 0 HA GLN A 48 5.989 -4.583 -4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.313 -5.943 -6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.394 -7.000 -5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.285 -4.747 -5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.899 -4.068 -6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.269 -5.761 -5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.552 -6.352 -6.650 1.00 0.00 H new ATOM 795 N VAL A 49 4.521 -4.774 -2.885 1.00 0.00 N ATOM 796 CA VAL A 49 3.795 -4.891 -1.614 1.00 0.00 C ATOM 797 C VAL A 49 2.656 -3.883 -1.535 1.00 0.00 C ATOM 798 O VAL A 49 2.684 -2.838 -2.180 1.00 0.00 O ATOM 799 CB VAL A 49 4.720 -4.648 -0.417 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.636 -5.853 -0.218 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.565 -3.395 -0.660 1.00 0.00 C ATOM 0 H VAL A 49 4.649 -3.820 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 49 3.400 -5.906 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 49 4.114 -4.505 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.292 -5.675 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.033 -6.742 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.238 -6.004 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.221 -3.227 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.167 -3.531 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.910 -2.534 -0.789 1.00 0.00 H new ATOM 811 N CYS A 50 1.665 -4.200 -0.707 1.00 0.00 N ATOM 812 CA CYS A 50 0.529 -3.309 -0.514 1.00 0.00 C ATOM 813 C CYS A 50 0.814 -2.409 0.680 1.00 0.00 C ATOM 814 O CYS A 50 0.924 -2.883 1.811 1.00 0.00 O ATOM 815 CB CYS A 50 -0.751 -4.106 -0.248 1.00 0.00 C ATOM 816 SG CYS A 50 -1.015 -5.300 -1.585 1.00 0.00 S ATOM 0 H CYS A 50 1.626 -5.062 -0.163 1.00 0.00 H new ATOM 0 HA CYS A 50 0.385 -2.717 -1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.676 -4.626 0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.603 -3.430 -0.177 1.00 0.00 H new ATOM 821 N ILE A 51 0.960 -1.113 0.425 1.00 0.00 N ATOM 822 CA ILE A 51 1.262 -0.184 1.511 1.00 0.00 C ATOM 823 C ILE A 51 -0.007 0.246 2.223 1.00 0.00 C ATOM 824 O ILE A 51 -1.092 0.267 1.641 1.00 0.00 O ATOM 825 CB ILE A 51 1.996 1.057 1.006 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.158 0.643 0.104 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.555 1.823 2.204 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.788 1.892 -0.506 1.00 0.00 C ATOM 0 H ILE A 51 0.877 -0.689 -0.499 1.00 0.00 H new ATOM 0 HA ILE A 51 1.911 -0.714 2.208 1.00 0.00 H new ATOM 0 HB ILE A 51 1.303 1.682 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.901 0.090 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.804 -0.022 -0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.081 2.711 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.737 2.120 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.246 1.184 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.618 1.603 -1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.041 2.426 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.155 2.540 0.290 1.00 0.00 H new ATOM 840 N ASP A 52 0.144 0.571 3.501 1.00 0.00 N ATOM 841 CA ASP A 52 -0.991 0.983 4.312 1.00 0.00 C ATOM 842 C ASP A 52 -1.351 2.447 4.025 1.00 0.00 C ATOM 843 O ASP A 52 -0.462 3.286 3.870 1.00 0.00 O ATOM 844 CB ASP A 52 -0.656 0.827 5.802 1.00 0.00 C ATOM 845 CG ASP A 52 -1.839 0.201 6.537 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.420 -0.727 5.999 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.144 0.660 7.626 1.00 0.00 O ATOM 0 H ASP A 52 1.037 0.557 3.995 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.842 0.349 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.229 0.203 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.421 1.799 6.235 1.00 0.00 H new ATOM 852 N PRO A 53 -2.651 2.779 3.953 1.00 0.00 N ATOM 853 CA PRO A 53 -3.090 4.165 3.684 1.00 0.00 C ATOM 854 C PRO A 53 -2.938 5.080 4.900 1.00 0.00 C ATOM 855 O PRO A 53 -2.986 6.304 4.779 1.00 0.00 O ATOM 856 CB PRO A 53 -4.558 3.994 3.314 1.00 0.00 C ATOM 857 CG PRO A 53 -5.021 2.690 3.940 1.00 0.00 C ATOM 858 CD PRO A 53 -3.776 1.825 4.141 1.00 0.00 C ATOM 0 HA PRO A 53 -2.491 4.642 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.150 4.831 3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.683 3.969 2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.520 2.875 4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.741 2.186 3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.757 1.374 5.133 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.734 1.009 3.419 1.00 0.00 H new ATOM 866 N LYS A 54 -2.753 4.475 6.073 1.00 0.00 N ATOM 867 CA LYS A 54 -2.595 5.251 7.296 1.00 0.00 C ATOM 868 C LYS A 54 -1.118 5.454 7.638 1.00 0.00 C ATOM 869 O LYS A 54 -0.781 5.811 8.767 1.00 0.00 O ATOM 870 CB LYS A 54 -3.279 4.539 8.466 1.00 0.00 C ATOM 871 CG LYS A 54 -3.645 5.561 9.544 1.00 0.00 C ATOM 872 CD LYS A 54 -4.907 5.099 10.274 1.00 0.00 C ATOM 873 CE LYS A 54 -5.239 6.084 11.396 1.00 0.00 C ATOM 874 NZ LYS A 54 -6.540 5.708 12.018 1.00 0.00 N ATOM 0 H LYS A 54 -2.710 3.464 6.199 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.057 6.224 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.175 4.025 8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.616 3.779 8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.822 5.671 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.810 6.539 9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.741 5.034 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.757 4.101 10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.449 6.076 12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.293 7.098 11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.766 6.377 12.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.290 5.737 11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.473 4.747 12.409 1.00 0.00 H new ATOM 888 N LEU A 55 -0.231 5.233 6.661 1.00 0.00 N ATOM 889 CA LEU A 55 1.197 5.412 6.907 1.00 0.00 C ATOM 890 C LEU A 55 1.509 6.890 7.099 1.00 0.00 C ATOM 891 O LEU A 55 0.723 7.760 6.722 1.00 0.00 O ATOM 892 CB LEU A 55 2.023 4.851 5.749 1.00 0.00 C ATOM 893 CG LEU A 55 2.519 3.443 6.102 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.267 2.842 4.908 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.457 3.505 7.316 1.00 0.00 C ATOM 0 H LEU A 55 -0.472 4.937 5.715 1.00 0.00 H new ATOM 0 HA LEU A 55 1.461 4.867 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.420 4.818 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.871 5.505 5.544 1.00 0.00 H new ATOM 0 HG LEU A 55 1.660 2.817 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.617 1.842 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.596 2.783 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.120 3.472 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.804 2.501 7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.313 4.138 7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.921 3.920 8.169 1.00 0.00 H new ATOM 907 N LYS A 56 2.652 7.163 7.715 1.00 0.00 N ATOM 908 CA LYS A 56 3.041 8.537 7.984 1.00 0.00 C ATOM 909 C LYS A 56 3.598 9.220 6.744 1.00 0.00 C ATOM 910 O LYS A 56 3.390 10.416 6.542 1.00 0.00 O ATOM 911 CB LYS A 56 4.077 8.601 9.113 1.00 0.00 C ATOM 912 CG LYS A 56 5.337 7.823 8.717 1.00 0.00 C ATOM 913 CD LYS A 56 5.909 7.111 9.946 1.00 0.00 C ATOM 914 CE LYS A 56 6.393 8.148 10.961 1.00 0.00 C ATOM 915 NZ LYS A 56 7.806 8.514 10.663 1.00 0.00 N ATOM 0 H LYS A 56 3.318 6.459 8.034 1.00 0.00 H new ATOM 0 HA LYS A 56 2.139 9.067 8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.333 9.639 9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.656 8.184 10.028 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.099 7.096 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.080 8.503 8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.148 6.474 10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.734 6.463 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.760 9.035 10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.316 7.747 11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.135 9.219 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.404 7.666 10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.866 8.913 9.705 1.00 0.00 H new ATOM 929 N TRP A 57 4.309 8.467 5.915 1.00 0.00 N ATOM 930 CA TRP A 57 4.868 9.058 4.709 1.00 0.00 C ATOM 931 C TRP A 57 3.856 9.015 3.574 1.00 0.00 C ATOM 932 O TRP A 57 3.857 9.881 2.696 1.00 0.00 O ATOM 933 CB TRP A 57 6.179 8.379 4.297 1.00 0.00 C ATOM 934 CG TRP A 57 5.966 6.952 3.900 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.963 5.888 4.742 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.754 6.417 2.566 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.787 4.736 3.996 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.648 5.012 2.654 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.650 7.013 1.302 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.450 4.225 1.525 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.443 6.223 0.158 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.345 4.829 0.271 1.00 0.00 C ATOM 0 H TRP A 57 4.508 7.476 6.049 1.00 0.00 H new ATOM 0 HA TRP A 57 5.099 10.100 4.930 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.625 8.925 3.466 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.887 8.424 5.124 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.079 5.933 5.815 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.763 3.796 4.392 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.729 8.086 1.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.378 3.151 1.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.359 6.691 -0.811 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.189 4.224 -0.610 1.00 0.00 H new ATOM 953 N ILE A 58 2.977 8.013 3.597 1.00 0.00 N ATOM 954 CA ILE A 58 1.972 7.912 2.556 1.00 0.00 C ATOM 955 C ILE A 58 0.864 8.939 2.798 1.00 0.00 C ATOM 956 O ILE A 58 0.171 9.322 1.861 1.00 0.00 O ATOM 957 CB ILE A 58 1.409 6.476 2.444 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.480 5.623 1.713 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.060 6.462 1.674 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.859 4.455 0.929 1.00 0.00 C ATOM 0 H ILE A 58 2.944 7.281 4.307 1.00 0.00 H new ATOM 0 HA ILE A 58 2.443 8.136 1.599 1.00 0.00 H new ATOM 0 HB ILE A 58 1.204 6.067 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.043 6.258 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.190 5.232 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.312 5.439 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.666 7.081 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.211 6.856 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.648 3.888 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.319 3.803 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.170 4.845 0.180 1.00 0.00 H new ATOM 972 N GLN A 59 0.694 9.393 4.044 1.00 0.00 N ATOM 973 CA GLN A 59 -0.343 10.381 4.306 1.00 0.00 C ATOM 974 C GLN A 59 -0.019 11.681 3.570 1.00 0.00 C ATOM 975 O GLN A 59 -0.916 12.425 3.174 1.00 0.00 O ATOM 976 CB GLN A 59 -0.513 10.653 5.807 1.00 0.00 C ATOM 977 CG GLN A 59 0.794 11.184 6.405 1.00 0.00 C ATOM 978 CD GLN A 59 0.524 12.461 7.198 1.00 0.00 C ATOM 979 OE1 GLN A 59 0.112 12.404 8.356 1.00 0.00 O ATOM 980 NE2 GLN A 59 0.736 13.620 6.637 1.00 0.00 N ATOM 0 H GLN A 59 1.240 9.103 4.855 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.286 9.976 3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.313 11.377 5.964 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.808 9.737 6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.239 10.430 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.512 11.385 5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.078 13.667 5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.560 14.479 7.158 1.00 0.00 H new ATOM 989 N GLU A 60 1.276 11.929 3.358 1.00 0.00 N ATOM 990 CA GLU A 60 1.699 13.118 2.632 1.00 0.00 C ATOM 991 C GLU A 60 1.539 12.867 1.135 1.00 0.00 C ATOM 992 O GLU A 60 1.165 13.757 0.371 1.00 0.00 O ATOM 993 CB GLU A 60 3.164 13.445 2.937 1.00 0.00 C ATOM 994 CG GLU A 60 3.358 14.962 2.960 1.00 0.00 C ATOM 995 CD GLU A 60 3.199 15.473 4.387 1.00 0.00 C ATOM 996 OE1 GLU A 60 3.911 14.989 5.252 1.00 0.00 O ATOM 997 OE2 GLU A 60 2.368 16.342 4.596 1.00 0.00 O ATOM 0 H GLU A 60 2.037 11.329 3.676 1.00 0.00 H new ATOM 0 HA GLU A 60 1.083 13.961 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.450 13.017 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.812 12.997 2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.346 15.219 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.629 15.442 2.307 1.00 0.00 H new ATOM 1004 N TYR A 61 1.817 11.626 0.735 1.00 0.00 N ATOM 1005 CA TYR A 61 1.693 11.226 -0.663 1.00 0.00 C ATOM 1006 C TYR A 61 0.221 11.284 -1.080 1.00 0.00 C ATOM 1007 O TYR A 61 -0.142 11.951 -2.049 1.00 0.00 O ATOM 1008 CB TYR A 61 2.271 9.796 -0.840 1.00 0.00 C ATOM 1009 CG TYR A 61 1.666 9.069 -2.029 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.549 9.712 -3.267 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.209 7.757 -1.874 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.978 9.037 -4.352 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.637 7.083 -2.955 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.521 7.721 -4.196 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.043 7.054 -5.264 1.00 0.00 O ATOM 0 H TYR A 61 2.129 10.883 1.360 1.00 0.00 H new ATOM 0 HA TYR A 61 2.256 11.906 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.352 9.857 -0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.089 9.219 0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.899 10.727 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.298 7.264 -0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.890 9.530 -5.309 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.284 6.070 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.305 6.152 -4.985 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.614 10.572 -0.335 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.041 10.536 -0.624 1.00 0.00 C ATOM 1027 C LEU A 62 -2.641 11.939 -0.523 1.00 0.00 C ATOM 1028 O LEU A 62 -3.634 12.255 -1.177 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.745 9.605 0.366 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.786 8.756 -0.368 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -4.011 7.450 0.395 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.104 9.528 -0.454 1.00 0.00 C ATOM 0 H LEU A 62 -0.330 10.014 0.470 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.183 10.164 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.015 8.959 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.227 10.190 1.149 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.428 8.532 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.752 6.846 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.073 6.899 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.369 7.673 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.846 8.924 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.461 9.752 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.945 10.459 -0.998 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.016 12.776 0.302 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.486 14.147 0.480 1.00 0.00 C ATOM 1046 C GLU A 63 -2.070 15.006 -0.711 1.00 0.00 C ATOM 1047 O GLU A 63 -2.776 15.934 -1.103 1.00 0.00 O ATOM 1048 CB GLU A 63 -1.904 14.751 1.760 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.839 14.459 2.936 1.00 0.00 C ATOM 1050 CD GLU A 63 -3.770 15.648 3.158 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -4.154 16.264 2.177 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -4.084 15.923 4.303 1.00 0.00 O ATOM 0 H GLU A 63 -1.192 12.533 0.852 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.573 14.126 0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.916 14.333 1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.777 15.827 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.422 13.560 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.257 14.267 3.837 1.00 0.00 H new ATOM 1059 N LYS A 64 -0.910 14.684 -1.280 1.00 0.00 N ATOM 1060 CA LYS A 64 -0.400 15.429 -2.427 1.00 0.00 C ATOM 1061 C LYS A 64 -1.014 14.901 -3.721 1.00 0.00 C ATOM 1062 O LYS A 64 -1.404 15.669 -4.600 1.00 0.00 O ATOM 1063 CB LYS A 64 1.124 15.305 -2.509 1.00 0.00 C ATOM 1064 CG LYS A 64 1.659 16.223 -3.611 1.00 0.00 C ATOM 1065 CD LYS A 64 1.801 15.432 -4.914 1.00 0.00 C ATOM 1066 CE LYS A 64 2.763 16.161 -5.853 1.00 0.00 C ATOM 1067 NZ LYS A 64 4.167 15.877 -5.443 1.00 0.00 N ATOM 0 H LYS A 64 -0.311 13.919 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.672 16.477 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.572 15.571 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.404 14.272 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.983 17.065 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.624 16.636 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.172 14.429 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.827 15.319 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.600 15.837 -6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.574 17.234 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.818 16.198 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.379 16.381 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.286 14.854 -5.296 1.00 0.00 H new ATOM 1081 N ALA A 65 -1.094 13.578 -3.827 1.00 0.00 N ATOM 1082 CA ALA A 65 -1.660 12.951 -5.019 1.00 0.00 C ATOM 1083 C ALA A 65 -3.159 13.221 -5.103 1.00 0.00 C ATOM 1084 O ALA A 65 -3.718 13.368 -6.190 1.00 0.00 O ATOM 1085 CB ALA A 65 -1.425 11.440 -4.993 1.00 0.00 C ATOM 0 H ALA A 65 -0.778 12.924 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.165 13.379 -5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.853 10.990 -5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.354 11.239 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.900 11.013 -4.110 1.00 0.00 H new