USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=7 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= -0.109 USER MOD Set 1.2: A 37 GLN : amide:sc= -2.53 K(o=-2.6,f=-5.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00411 USER MOD Single : A 17 HIS : no HE2:sc= -5.07 K(o=-5.1,f=-11!) USER MOD Single : A 22 ASN : amide:sc= -1.03 K(o=-1,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ -118:sc= -0.0299 (180deg=-0.0741) USER MOD Single : A 25 HIS : no HD1:sc= -0.547 X(o=-0.55,f=-0.81) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 110:sc= -1.4 USER MOD Single : A 33 ASN : amide:sc= -0.0506 K(o=-0.051,f=-1.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0393 F(o=-0.82,f=-0.039) USER MOD Single : A 46 ASN : amide:sc= -0.0223 X(o=-0.022,f=-0.15) 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= -1.61 K(o=-1.6,f=-2.7!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -6.920 -8.019 -5.317 1.00 0.00 N ATOM 152 CA PRO A 10 -5.496 -8.316 -5.552 1.00 0.00 C ATOM 153 C PRO A 10 -4.694 -8.390 -4.258 1.00 0.00 C ATOM 154 O PRO A 10 -4.018 -9.382 -3.982 1.00 0.00 O ATOM 155 CB PRO A 10 -5.044 -7.131 -6.395 1.00 0.00 C ATOM 156 CG PRO A 10 -5.997 -5.981 -6.098 1.00 0.00 C ATOM 157 CD PRO A 10 -7.241 -6.575 -5.430 1.00 0.00 C ATOM 0 HA PRO A 10 -5.347 -9.286 -6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.018 -6.854 -6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.063 -7.383 -7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.523 -5.249 -5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.267 -5.460 -7.016 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.424 -6.127 -4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.136 -6.409 -6.030 1.00 0.00 H new ATOM 165 N CYS A 11 -4.778 -7.325 -3.470 1.00 0.00 N ATOM 166 CA CYS A 11 -4.056 -7.270 -2.202 1.00 0.00 C ATOM 167 C CYS A 11 -4.905 -7.821 -1.065 1.00 0.00 C ATOM 168 O CYS A 11 -6.133 -7.747 -1.083 1.00 0.00 O ATOM 169 CB CYS A 11 -3.650 -5.831 -1.869 1.00 0.00 C ATOM 170 SG CYS A 11 -2.008 -5.494 -2.557 1.00 0.00 S ATOM 0 H CYS A 11 -5.332 -6.495 -3.682 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.162 -7.883 -2.311 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.379 -5.132 -2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.641 -5.685 -0.789 1.00 0.00 H new ATOM 175 N ARG A 12 -4.216 -8.367 -0.072 1.00 0.00 N ATOM 176 CA ARG A 12 -4.878 -8.935 1.099 1.00 0.00 C ATOM 177 C ARG A 12 -4.209 -8.419 2.368 1.00 0.00 C ATOM 178 O ARG A 12 -4.873 -7.989 3.310 1.00 0.00 O ATOM 179 CB ARG A 12 -4.799 -10.463 1.076 1.00 0.00 C ATOM 180 CG ARG A 12 -5.492 -10.993 -0.181 1.00 0.00 C ATOM 181 CD ARG A 12 -6.972 -11.239 0.118 1.00 0.00 C ATOM 182 NE ARG A 12 -7.186 -12.613 0.563 1.00 0.00 N ATOM 183 CZ ARG A 12 -7.604 -13.549 -0.284 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.870 -13.634 -0.591 1.00 0.00 N ATOM 185 NH2 ARG A 12 -6.749 -14.385 -0.807 1.00 0.00 N ATOM 0 H ARG A 12 -3.198 -8.430 -0.052 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.926 -8.634 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.757 -10.784 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.273 -10.875 1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.389 -10.276 -0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.017 -11.918 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.313 -10.545 0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.566 -11.044 -0.775 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.012 -12.858 1.538 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.539 -12.982 -0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.190 -14.352 -1.241 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.760 -14.320 -0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.070 -15.103 -1.457 1.00 0.00 H new ATOM 199 N PHE A 13 -2.880 -8.458 2.368 1.00 0.00 N ATOM 200 CA PHE A 13 -2.110 -7.982 3.513 1.00 0.00 C ATOM 201 C PHE A 13 -1.280 -6.770 3.109 1.00 0.00 C ATOM 202 O PHE A 13 -0.631 -6.764 2.062 1.00 0.00 O ATOM 203 CB PHE A 13 -1.174 -9.076 4.033 1.00 0.00 C ATOM 204 CG PHE A 13 -1.958 -10.345 4.274 1.00 0.00 C ATOM 205 CD1 PHE A 13 -2.772 -10.461 5.408 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.871 -11.405 3.365 1.00 0.00 C ATOM 207 CE1 PHE A 13 -3.498 -11.636 5.630 1.00 0.00 C ATOM 208 CE2 PHE A 13 -2.597 -12.581 3.587 1.00 0.00 C ATOM 209 CZ PHE A 13 -3.412 -12.696 4.720 1.00 0.00 C ATOM 0 H PHE A 13 -2.317 -8.811 1.594 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.810 -7.709 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.378 -9.260 3.311 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.697 -8.751 4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.839 -9.644 6.111 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.243 -11.316 2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.125 -11.725 6.504 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.529 -13.399 2.885 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.974 -13.602 4.892 1.00 0.00 H new ATOM 219 N PHE A 14 -1.316 -5.738 3.943 1.00 0.00 N ATOM 220 CA PHE A 14 -0.572 -4.514 3.657 1.00 0.00 C ATOM 221 C PHE A 14 0.737 -4.476 4.433 1.00 0.00 C ATOM 222 O PHE A 14 0.804 -4.888 5.591 1.00 0.00 O ATOM 223 CB PHE A 14 -1.399 -3.288 4.041 1.00 0.00 C ATOM 224 CG PHE A 14 -2.309 -2.910 2.899 1.00 0.00 C ATOM 225 CD1 PHE A 14 -3.158 -3.864 2.324 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.303 -1.599 2.421 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.999 -3.502 1.266 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.143 -1.234 1.364 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.993 -2.186 0.786 1.00 0.00 C ATOM 0 H PHE A 14 -1.846 -5.721 4.814 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.359 -4.502 2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.988 -3.500 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.740 -2.455 4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.164 -4.878 2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.649 -0.865 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.653 -4.237 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.136 -0.219 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.643 -1.905 -0.029 1.00 0.00 H new ATOM 239 N GLU A 15 1.777 -3.961 3.783 1.00 0.00 N ATOM 240 CA GLU A 15 3.083 -3.856 4.424 1.00 0.00 C ATOM 241 C GLU A 15 3.287 -2.438 4.958 1.00 0.00 C ATOM 242 O GLU A 15 4.027 -1.640 4.383 1.00 0.00 O ATOM 243 CB GLU A 15 4.195 -4.192 3.428 1.00 0.00 C ATOM 244 CG GLU A 15 4.326 -5.712 3.303 1.00 0.00 C ATOM 245 CD GLU A 15 3.069 -6.279 2.653 1.00 0.00 C ATOM 246 OE1 GLU A 15 2.139 -6.590 3.379 1.00 0.00 O ATOM 247 OE2 GLU A 15 3.055 -6.397 1.439 1.00 0.00 O ATOM 0 H GLU A 15 1.742 -3.614 2.825 1.00 0.00 H new ATOM 0 HA GLU A 15 3.122 -4.565 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.971 -3.754 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.139 -3.761 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.202 -5.964 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.472 -6.157 4.287 1.00 0.00 H new ATOM 254 N SER A 16 2.610 -2.132 6.061 1.00 0.00 N ATOM 255 CA SER A 16 2.712 -0.804 6.666 1.00 0.00 C ATOM 256 C SER A 16 4.151 -0.501 7.078 1.00 0.00 C ATOM 257 O SER A 16 4.568 0.657 7.108 1.00 0.00 O ATOM 258 CB SER A 16 1.809 -0.703 7.896 1.00 0.00 C ATOM 259 OG SER A 16 1.999 -1.851 8.714 1.00 0.00 O ATOM 0 H SER A 16 1.990 -2.777 6.551 1.00 0.00 H new ATOM 0 HA SER A 16 2.393 -0.077 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.041 0.201 8.459 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.765 -0.629 7.590 1.00 0.00 H new ATOM 0 HG SER A 16 1.423 -1.789 9.504 1.00 0.00 H new ATOM 265 N HIS A 17 4.908 -1.550 7.394 1.00 0.00 N ATOM 266 CA HIS A 17 6.304 -1.379 7.804 1.00 0.00 C ATOM 267 C HIS A 17 7.101 -0.625 6.736 1.00 0.00 C ATOM 268 O HIS A 17 8.096 0.036 7.033 1.00 0.00 O ATOM 269 CB HIS A 17 6.958 -2.740 8.053 1.00 0.00 C ATOM 270 CG HIS A 17 6.874 -3.592 6.814 1.00 0.00 C ATOM 271 ND1 HIS A 17 7.686 -3.374 5.712 1.00 0.00 N ATOM 272 CD2 HIS A 17 6.089 -4.671 6.495 1.00 0.00 C ATOM 273 CE1 HIS A 17 7.373 -4.304 4.790 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.405 -5.119 5.217 1.00 0.00 N ATOM 0 H HIS A 17 4.585 -2.517 7.375 1.00 0.00 H new ATOM 0 HA HIS A 17 6.310 -0.798 8.726 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.001 -2.604 8.339 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.463 -3.243 8.883 1.00 0.00 H new ATOM 0 HD1 HIS A 17 8.391 -2.643 5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.339 -5.106 7.139 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.847 -4.381 3.823 1.00 0.00 H new ATOM 282 N VAL A 18 6.646 -0.735 5.488 1.00 0.00 N ATOM 283 CA VAL A 18 7.306 -0.071 4.365 1.00 0.00 C ATOM 284 C VAL A 18 7.524 1.415 4.653 1.00 0.00 C ATOM 285 O VAL A 18 6.848 2.018 5.487 1.00 0.00 O ATOM 286 CB VAL A 18 6.454 -0.217 3.093 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.154 0.449 1.901 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.246 -1.704 2.789 1.00 0.00 C ATOM 0 H VAL A 18 5.822 -1.278 5.229 1.00 0.00 H new ATOM 0 HA VAL A 18 8.276 -0.546 4.220 1.00 0.00 H new ATOM 0 HB VAL A 18 5.492 0.269 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.538 0.337 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.300 1.509 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.122 -0.025 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.642 -1.810 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.213 -2.183 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.734 -2.178 3.626 1.00 0.00 H new ATOM 298 N ALA A 19 8.479 1.986 3.934 1.00 0.00 N ATOM 299 CA ALA A 19 8.806 3.396 4.078 1.00 0.00 C ATOM 300 C ALA A 19 9.285 3.947 2.741 1.00 0.00 C ATOM 301 O ALA A 19 10.023 3.286 2.012 1.00 0.00 O ATOM 302 CB ALA A 19 9.902 3.593 5.126 1.00 0.00 C ATOM 0 H ALA A 19 9.043 1.492 3.242 1.00 0.00 H new ATOM 0 HA ALA A 19 7.911 3.927 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.131 4.655 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.559 3.211 6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.799 3.053 4.821 1.00 0.00 H new ATOM 308 N ARG A 20 8.845 5.165 2.422 1.00 0.00 N ATOM 309 CA ARG A 20 9.206 5.824 1.155 1.00 0.00 C ATOM 310 C ARG A 20 10.683 5.634 0.796 1.00 0.00 C ATOM 311 O ARG A 20 11.049 5.610 -0.379 1.00 0.00 O ATOM 312 CB ARG A 20 8.912 7.319 1.240 1.00 0.00 C ATOM 313 CG ARG A 20 8.643 7.869 -0.162 1.00 0.00 C ATOM 314 CD ARG A 20 9.146 9.311 -0.250 1.00 0.00 C ATOM 315 NE ARG A 20 8.378 10.065 -1.237 1.00 0.00 N ATOM 316 CZ ARG A 20 8.470 11.391 -1.310 1.00 0.00 C ATOM 317 NH1 ARG A 20 9.622 11.977 -1.131 1.00 0.00 N ATOM 318 NH2 ARG A 20 7.407 12.105 -1.562 1.00 0.00 N ATOM 0 H ARG A 20 8.236 5.721 3.022 1.00 0.00 H new ATOM 0 HA ARG A 20 8.604 5.357 0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.049 7.494 1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.756 7.841 1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.143 7.252 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.576 7.831 -0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.064 9.790 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.202 9.317 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 20 7.762 9.568 -1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.453 11.419 -0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.692 12.993 -1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.507 11.647 -1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.477 13.121 -1.618 1.00 0.00 H new ATOM 332 N ALA A 21 11.526 5.500 1.817 1.00 0.00 N ATOM 333 CA ALA A 21 12.957 5.315 1.589 1.00 0.00 C ATOM 334 C ALA A 21 13.221 4.046 0.784 1.00 0.00 C ATOM 335 O ALA A 21 13.767 4.092 -0.318 1.00 0.00 O ATOM 336 CB ALA A 21 13.704 5.223 2.920 1.00 0.00 C ATOM 0 H ALA A 21 11.248 5.516 2.798 1.00 0.00 H new ATOM 0 HA ALA A 21 13.315 6.177 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.769 5.085 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.552 6.142 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.325 4.376 3.492 1.00 0.00 H new ATOM 342 N ASN A 22 12.833 2.911 1.353 1.00 0.00 N ATOM 343 CA ASN A 22 13.036 1.626 0.692 1.00 0.00 C ATOM 344 C ASN A 22 12.013 1.390 -0.424 1.00 0.00 C ATOM 345 O ASN A 22 12.122 0.417 -1.168 1.00 0.00 O ATOM 346 CB ASN A 22 12.938 0.490 1.709 1.00 0.00 C ATOM 347 CG ASN A 22 11.617 0.583 2.463 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.371 1.553 3.180 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.744 -0.381 2.346 1.00 0.00 N ATOM 0 H ASN A 22 12.379 2.853 2.265 1.00 0.00 H new ATOM 0 HA ASN A 22 14.031 1.645 0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.010 -0.472 1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.771 0.544 2.409 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.858 -0.330 2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.948 -1.185 1.752 1.00 0.00 H new ATOM 356 N VAL A 23 11.026 2.280 -0.552 1.00 0.00 N ATOM 357 CA VAL A 23 10.023 2.120 -1.605 1.00 0.00 C ATOM 358 C VAL A 23 10.626 2.527 -2.946 1.00 0.00 C ATOM 359 O VAL A 23 11.297 3.553 -3.058 1.00 0.00 O ATOM 360 CB VAL A 23 8.783 2.974 -1.316 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.713 2.718 -2.385 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.216 2.610 0.064 1.00 0.00 C ATOM 0 H VAL A 23 10.901 3.098 0.044 1.00 0.00 H new ATOM 0 HA VAL A 23 9.718 1.074 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 23 9.066 4.027 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.835 3.328 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.109 2.980 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.434 1.664 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.335 3.218 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.940 1.556 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.970 2.797 0.828 1.00 0.00 H new ATOM 372 N LYS A 24 10.386 1.703 -3.958 1.00 0.00 N ATOM 373 CA LYS A 24 10.916 1.972 -5.292 1.00 0.00 C ATOM 374 C LYS A 24 9.934 2.806 -6.106 1.00 0.00 C ATOM 375 O LYS A 24 10.284 3.864 -6.629 1.00 0.00 O ATOM 376 CB LYS A 24 11.188 0.662 -6.033 1.00 0.00 C ATOM 377 CG LYS A 24 12.327 0.869 -7.033 1.00 0.00 C ATOM 378 CD LYS A 24 12.689 -0.470 -7.678 1.00 0.00 C ATOM 379 CE LYS A 24 13.588 -0.225 -8.892 1.00 0.00 C ATOM 380 NZ LYS A 24 14.527 -1.371 -9.053 1.00 0.00 N ATOM 0 H LYS A 24 9.833 0.849 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 24 11.847 2.526 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.451 -0.122 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.289 0.332 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.027 1.584 -7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.197 1.288 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.200 -1.107 -6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.784 -0.996 -7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.981 -0.109 -9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.147 0.702 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.506 -1.034 -8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.330 -2.086 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.401 -1.793 -9.995 1.00 0.00 H new ATOM 394 N HIS A 25 8.703 2.318 -6.212 1.00 0.00 N ATOM 395 CA HIS A 25 7.681 3.034 -6.975 1.00 0.00 C ATOM 396 C HIS A 25 6.298 2.793 -6.382 1.00 0.00 C ATOM 397 O HIS A 25 6.110 1.911 -5.545 1.00 0.00 O ATOM 398 CB HIS A 25 7.683 2.572 -8.434 1.00 0.00 C ATOM 399 CG HIS A 25 7.169 3.681 -9.311 1.00 0.00 C ATOM 400 ND1 HIS A 25 7.621 4.987 -9.194 1.00 0.00 N ATOM 401 CD2 HIS A 25 6.241 3.696 -10.323 1.00 0.00 C ATOM 402 CE1 HIS A 25 6.972 5.724 -10.112 1.00 0.00 C ATOM 403 NE2 HIS A 25 6.119 4.986 -10.828 1.00 0.00 N ATOM 0 H HIS A 25 8.389 1.445 -5.788 1.00 0.00 H new ATOM 0 HA HIS A 25 7.913 4.098 -6.927 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.692 2.292 -8.737 1.00 0.00 H new ATOM 0 HB3 HIS A 25 7.059 1.685 -8.547 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.689 2.836 -10.674 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.122 6.784 -10.254 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.509 5.301 -11.583 1.00 0.00 H new ATOM 411 N LEU A 26 5.327 3.590 -6.828 1.00 0.00 N ATOM 412 CA LEU A 26 3.961 3.450 -6.331 1.00 0.00 C ATOM 413 C LEU A 26 2.996 3.131 -7.463 1.00 0.00 C ATOM 414 O LEU A 26 3.121 3.638 -8.578 1.00 0.00 O ATOM 415 CB LEU A 26 3.476 4.736 -5.659 1.00 0.00 C ATOM 416 CG LEU A 26 3.995 4.848 -4.219 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.405 6.104 -3.574 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.562 3.629 -3.401 1.00 0.00 C ATOM 0 H LEU A 26 5.458 4.327 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 26 3.979 2.635 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.811 5.598 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.386 4.758 -5.657 1.00 0.00 H new ATOM 0 HG LEU A 26 5.084 4.901 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.768 6.192 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.709 6.982 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.317 6.033 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.937 3.723 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.474 3.571 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.966 2.724 -3.855 1.00 0.00 H new ATOM 430 N LYS A 27 2.016 2.301 -7.142 1.00 0.00 N ATOM 431 CA LYS A 27 0.991 1.915 -8.110 1.00 0.00 C ATOM 432 C LYS A 27 -0.308 1.593 -7.374 1.00 0.00 C ATOM 433 O LYS A 27 -0.315 1.437 -6.156 1.00 0.00 O ATOM 434 CB LYS A 27 1.438 0.691 -8.917 1.00 0.00 C ATOM 435 CG LYS A 27 2.066 1.147 -10.236 1.00 0.00 C ATOM 436 CD LYS A 27 0.998 1.163 -11.332 1.00 0.00 C ATOM 437 CE LYS A 27 1.301 2.287 -12.324 1.00 0.00 C ATOM 438 NZ LYS A 27 2.245 1.789 -13.365 1.00 0.00 N ATOM 0 H LYS A 27 1.905 1.880 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 27 0.832 2.745 -8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.157 0.107 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.585 0.041 -9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.499 2.141 -10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.879 0.476 -10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.978 0.203 -11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.012 1.309 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.379 2.634 -12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.735 3.140 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.452 2.553 -14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.128 1.478 -12.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.814 0.988 -13.870 1.00 0.00 H new ATOM 452 N ILE A 28 -1.407 1.500 -8.119 1.00 0.00 N ATOM 453 CA ILE A 28 -2.697 1.198 -7.510 1.00 0.00 C ATOM 454 C ILE A 28 -3.476 0.206 -8.371 1.00 0.00 C ATOM 455 O ILE A 28 -3.380 0.217 -9.598 1.00 0.00 O ATOM 456 CB ILE A 28 -3.523 2.476 -7.349 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.704 3.518 -6.584 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.802 2.164 -6.573 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.962 4.415 -7.576 1.00 0.00 C ATOM 0 H ILE A 28 -1.430 1.628 -9.131 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.512 0.759 -6.530 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.783 2.867 -8.333 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.359 4.119 -5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.993 3.023 -5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.390 3.075 -6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.386 1.421 -7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.544 1.773 -5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.379 5.157 -7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.295 3.807 -8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.683 4.921 -8.218 1.00 0.00 H new ATOM 471 N LEU A 29 -4.254 -0.646 -7.709 1.00 0.00 N ATOM 472 CA LEU A 29 -5.057 -1.637 -8.420 1.00 0.00 C ATOM 473 C LEU A 29 -6.541 -1.318 -8.272 1.00 0.00 C ATOM 474 O LEU A 29 -7.092 -1.360 -7.172 1.00 0.00 O ATOM 475 CB LEU A 29 -4.793 -3.040 -7.872 1.00 0.00 C ATOM 476 CG LEU A 29 -3.461 -3.559 -8.415 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.073 -4.842 -7.676 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.601 -3.857 -9.909 1.00 0.00 C ATOM 0 H LEU A 29 -4.346 -0.671 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.777 -1.604 -9.473 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.769 -3.018 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.601 -3.712 -8.160 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.689 -2.804 -8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.124 -5.212 -8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.974 -4.633 -6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.845 -5.597 -7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.652 -4.227 -10.297 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.373 -4.612 -10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.878 -2.945 -10.438 1.00 0.00 H new ATOM 490 N ASN A 30 -7.178 -1.000 -9.393 1.00 0.00 N ATOM 491 CA ASN A 30 -8.603 -0.675 -9.382 1.00 0.00 C ATOM 492 C ASN A 30 -9.436 -1.942 -9.540 1.00 0.00 C ATOM 493 O ASN A 30 -9.875 -2.283 -10.638 1.00 0.00 O ATOM 494 CB ASN A 30 -8.941 0.293 -10.517 1.00 0.00 C ATOM 495 CG ASN A 30 -10.267 0.983 -10.218 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.297 2.038 -9.585 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.379 0.445 -10.642 1.00 0.00 N ATOM 0 H ASN A 30 -6.738 -0.960 -10.312 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.835 -0.204 -8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.149 1.034 -10.625 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.004 -0.246 -11.462 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.272 0.899 -10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.355 -0.429 -11.167 1.00 0.00 H new ATOM 504 N THR A 31 -9.643 -2.634 -8.426 1.00 0.00 N ATOM 505 CA THR A 31 -10.421 -3.870 -8.434 1.00 0.00 C ATOM 506 C THR A 31 -11.880 -3.575 -8.069 1.00 0.00 C ATOM 507 O THR A 31 -12.151 -2.668 -7.282 1.00 0.00 O ATOM 508 CB THR A 31 -9.835 -4.863 -7.419 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.469 -4.548 -7.184 1.00 0.00 O ATOM 510 CG2 THR A 31 -9.940 -6.290 -7.962 1.00 0.00 C ATOM 0 H THR A 31 -9.286 -2.364 -7.510 1.00 0.00 H new ATOM 0 HA THR A 31 -10.379 -4.303 -9.433 1.00 0.00 H new ATOM 0 HB THR A 31 -10.395 -4.792 -6.487 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.367 -4.189 -6.278 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.522 -6.987 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.987 -6.535 -8.140 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.386 -6.365 -8.898 1.00 0.00 H new ATOM 518 N PRO A 32 -12.844 -4.330 -8.627 1.00 0.00 N ATOM 519 CA PRO A 32 -14.274 -4.117 -8.331 1.00 0.00 C ATOM 520 C PRO A 32 -14.689 -4.750 -7.009 1.00 0.00 C ATOM 521 O PRO A 32 -15.478 -4.183 -6.252 1.00 0.00 O ATOM 522 CB PRO A 32 -14.969 -4.788 -9.509 1.00 0.00 C ATOM 523 CG PRO A 32 -14.000 -5.818 -10.069 1.00 0.00 C ATOM 524 CD PRO A 32 -12.599 -5.443 -9.579 1.00 0.00 C ATOM 0 HA PRO A 32 -14.527 -3.063 -8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.896 -5.264 -9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.234 -4.054 -10.270 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.269 -6.820 -9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.036 -5.826 -11.158 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.107 -6.285 -9.092 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.957 -5.131 -10.403 1.00 0.00 H new ATOM 532 N ASN A 33 -14.135 -5.926 -6.731 1.00 0.00 N ATOM 533 CA ASN A 33 -14.436 -6.624 -5.488 1.00 0.00 C ATOM 534 C ASN A 33 -14.015 -5.773 -4.291 1.00 0.00 C ATOM 535 O ASN A 33 -14.620 -5.835 -3.220 1.00 0.00 O ATOM 536 CB ASN A 33 -13.700 -7.965 -5.432 1.00 0.00 C ATOM 537 CG ASN A 33 -14.232 -8.790 -4.266 1.00 0.00 C ATOM 538 OD1 ASN A 33 -15.371 -8.606 -3.835 1.00 0.00 O ATOM 539 ND2 ASN A 33 -13.468 -9.697 -3.723 1.00 0.00 N ATOM 0 H ASN A 33 -13.481 -6.412 -7.345 1.00 0.00 H new ATOM 0 HA ASN A 33 -15.511 -6.803 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.838 -8.507 -6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.629 -7.799 -5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.814 -10.254 -2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.525 -9.849 -4.080 1.00 0.00 H new ATOM 546 N CYS A 34 -12.973 -4.968 -4.494 1.00 0.00 N ATOM 547 CA CYS A 34 -12.473 -4.092 -3.439 1.00 0.00 C ATOM 548 C CYS A 34 -12.579 -2.636 -3.887 1.00 0.00 C ATOM 549 O CYS A 34 -13.071 -2.349 -4.978 1.00 0.00 O ATOM 550 CB CYS A 34 -11.015 -4.431 -3.112 1.00 0.00 C ATOM 551 SG CYS A 34 -10.973 -5.815 -1.945 1.00 0.00 S ATOM 0 H CYS A 34 -12.462 -4.905 -5.375 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.075 -4.239 -2.543 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.477 -4.692 -4.023 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.515 -3.563 -2.683 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.009 -6.625 -2.267 1.00 0.00 H new ATOM 556 N ALA A 35 -12.127 -1.718 -3.038 1.00 0.00 N ATOM 557 CA ALA A 35 -12.199 -0.297 -3.373 1.00 0.00 C ATOM 558 C ALA A 35 -10.945 0.153 -4.132 1.00 0.00 C ATOM 559 O ALA A 35 -10.949 0.238 -5.359 1.00 0.00 O ATOM 560 CB ALA A 35 -12.371 0.547 -2.104 1.00 0.00 C ATOM 0 H ALA A 35 -11.714 -1.925 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.066 -0.150 -4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.423 1.602 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.291 0.257 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.522 0.383 -1.440 1.00 0.00 H new ATOM 566 N LEU A 36 -9.876 0.439 -3.392 1.00 0.00 N ATOM 567 CA LEU A 36 -8.626 0.879 -4.007 1.00 0.00 C ATOM 568 C LEU A 36 -7.447 0.490 -3.126 1.00 0.00 C ATOM 569 O LEU A 36 -7.137 1.164 -2.144 1.00 0.00 O ATOM 570 CB LEU A 36 -8.624 2.399 -4.194 1.00 0.00 C ATOM 571 CG LEU A 36 -9.363 2.765 -5.489 1.00 0.00 C ATOM 572 CD1 LEU A 36 -10.775 3.253 -5.157 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.603 3.879 -6.215 1.00 0.00 C ATOM 0 H LEU A 36 -9.850 0.375 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.537 0.396 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.104 2.880 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.599 2.768 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.423 1.884 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.297 3.512 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.321 2.463 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.715 4.132 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.128 4.138 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.542 4.757 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.597 3.536 -6.456 1.00 0.00 H new ATOM 585 N GLN A 37 -6.793 -0.606 -3.489 1.00 0.00 N ATOM 586 CA GLN A 37 -5.643 -1.083 -2.723 1.00 0.00 C ATOM 587 C GLN A 37 -4.359 -0.562 -3.352 1.00 0.00 C ATOM 588 O GLN A 37 -3.901 -1.074 -4.375 1.00 0.00 O ATOM 589 CB GLN A 37 -5.609 -2.619 -2.688 1.00 0.00 C ATOM 590 CG GLN A 37 -6.999 -3.152 -2.329 1.00 0.00 C ATOM 591 CD GLN A 37 -6.898 -4.528 -1.692 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.024 -4.781 -0.866 1.00 0.00 O ATOM 593 NE2 GLN A 37 -7.768 -5.438 -2.025 1.00 0.00 N ATOM 0 H GLN A 37 -7.033 -1.177 -4.299 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.731 -0.713 -1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.297 -3.009 -3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.877 -2.961 -1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.492 -2.463 -1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.616 -3.205 -3.226 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.492 -5.225 -2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.725 -6.364 -1.600 1.00 0.00 H new ATOM 602 N ILE A 38 -3.781 0.468 -2.736 1.00 0.00 N ATOM 603 CA ILE A 38 -2.550 1.045 -3.262 1.00 0.00 C ATOM 604 C ILE A 38 -1.427 0.023 -3.188 1.00 0.00 C ATOM 605 O ILE A 38 -1.043 -0.438 -2.109 1.00 0.00 O ATOM 606 CB ILE A 38 -2.132 2.302 -2.491 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.294 3.302 -2.465 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.924 2.950 -3.185 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.040 4.350 -1.381 1.00 0.00 C ATOM 0 H ILE A 38 -4.138 0.911 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.740 1.326 -4.298 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.866 2.026 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.394 3.785 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.232 2.781 -2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.626 3.844 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.094 2.244 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.194 3.223 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.866 5.061 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.962 3.859 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.111 4.878 -1.596 1.00 0.00 H new ATOM 621 N VAL A 39 -0.892 -0.304 -4.351 1.00 0.00 N ATOM 622 CA VAL A 39 0.202 -1.254 -4.426 1.00 0.00 C ATOM 623 C VAL A 39 1.515 -0.495 -4.492 1.00 0.00 C ATOM 624 O VAL A 39 1.535 0.726 -4.651 1.00 0.00 O ATOM 625 CB VAL A 39 0.064 -2.171 -5.647 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.238 -2.966 -5.541 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.041 -1.336 -6.929 1.00 0.00 C ATOM 0 H VAL A 39 -1.195 0.071 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 39 0.178 -1.883 -3.536 1.00 0.00 H new ATOM 0 HB VAL A 39 0.913 -2.853 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.338 -3.618 -6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.223 -3.569 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.083 -2.278 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.057 -1.996 -7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.804 -0.648 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.968 -0.768 -7.010 1.00 0.00 H new ATOM 637 N ALA A 40 2.607 -1.221 -4.358 1.00 0.00 N ATOM 638 CA ALA A 40 3.917 -0.595 -4.391 1.00 0.00 C ATOM 639 C ALA A 40 4.989 -1.621 -4.685 1.00 0.00 C ATOM 640 O ALA A 40 4.714 -2.811 -4.817 1.00 0.00 O ATOM 641 CB ALA A 40 4.225 0.052 -3.043 1.00 0.00 C ATOM 0 H ALA A 40 2.617 -2.232 -4.227 1.00 0.00 H new ATOM 0 HA ALA A 40 3.908 0.161 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.210 0.518 -3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.473 0.810 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.213 -0.709 -2.263 1.00 0.00 H new ATOM 647 N ARG A 41 6.217 -1.142 -4.772 1.00 0.00 N ATOM 648 CA ARG A 41 7.348 -2.020 -5.033 1.00 0.00 C ATOM 649 C ARG A 41 8.542 -1.590 -4.189 1.00 0.00 C ATOM 650 O ARG A 41 9.085 -0.498 -4.370 1.00 0.00 O ATOM 651 CB ARG A 41 7.718 -1.988 -6.514 1.00 0.00 C ATOM 652 CG ARG A 41 8.812 -3.021 -6.798 1.00 0.00 C ATOM 653 CD ARG A 41 8.174 -4.321 -7.292 1.00 0.00 C ATOM 654 NE ARG A 41 8.127 -4.349 -8.752 1.00 0.00 N ATOM 655 CZ ARG A 41 9.107 -4.905 -9.458 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.171 -6.203 -9.576 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.004 -4.152 -10.034 1.00 0.00 N ATOM 0 H ARG A 41 6.458 -0.156 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 41 7.068 -3.039 -4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.839 -2.199 -7.123 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.065 -0.992 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.504 -2.636 -7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.392 -3.209 -5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.744 -5.174 -6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.166 -4.414 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 41 7.330 -3.936 -9.237 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.469 -6.791 -9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.923 -6.629 -10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.953 -3.137 -9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.756 -4.578 -10.576 1.00 0.00 H new ATOM 671 N LEU A 42 8.932 -2.459 -3.253 1.00 0.00 N ATOM 672 CA LEU A 42 10.050 -2.164 -2.365 1.00 0.00 C ATOM 673 C LEU A 42 11.381 -2.414 -3.063 1.00 0.00 C ATOM 674 O LEU A 42 11.469 -3.195 -4.014 1.00 0.00 O ATOM 675 CB LEU A 42 9.995 -3.030 -1.104 1.00 0.00 C ATOM 676 CG LEU A 42 8.575 -3.063 -0.528 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.559 -3.963 0.706 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.145 -1.650 -0.130 1.00 0.00 C ATOM 0 H LEU A 42 8.491 -3.365 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 42 9.970 -1.112 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.321 -4.043 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.686 -2.638 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 42 7.886 -3.449 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.552 -3.992 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.865 -4.971 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.249 -3.569 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.135 -1.679 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.830 -1.260 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.163 -1.003 -1.007 1.00 0.00 H new ATOM 690 N LYS A 43 12.414 -1.738 -2.567 1.00 0.00 N ATOM 691 CA LYS A 43 13.758 -1.868 -3.125 1.00 0.00 C ATOM 692 C LYS A 43 14.572 -2.883 -2.329 1.00 0.00 C ATOM 693 O LYS A 43 14.984 -3.920 -2.848 1.00 0.00 O ATOM 694 CB LYS A 43 14.474 -0.509 -3.092 1.00 0.00 C ATOM 695 CG LYS A 43 14.459 0.121 -4.487 1.00 0.00 C ATOM 696 CD LYS A 43 15.454 -0.611 -5.390 1.00 0.00 C ATOM 697 CE LYS A 43 16.078 0.380 -6.375 1.00 0.00 C ATOM 698 NZ LYS A 43 17.496 0.002 -6.629 1.00 0.00 N ATOM 0 H LYS A 43 12.346 -1.094 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 43 13.669 -2.211 -4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.983 0.153 -2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.502 -0.638 -2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.457 0.065 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.719 1.178 -4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.232 -1.079 -4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.949 -1.410 -5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.518 0.381 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.027 1.391 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.920 0.675 -7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.026 0.022 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.533 -0.956 -7.032 1.00 0.00 H new ATOM 712 N ASN A 44 14.802 -2.563 -1.056 1.00 0.00 N ATOM 713 CA ASN A 44 15.575 -3.438 -0.172 1.00 0.00 C ATOM 714 C ASN A 44 15.042 -4.872 -0.201 1.00 0.00 C ATOM 715 O ASN A 44 15.779 -5.827 0.044 1.00 0.00 O ATOM 716 CB ASN A 44 15.521 -2.920 1.267 1.00 0.00 C ATOM 717 CG ASN A 44 16.649 -1.918 1.490 1.00 0.00 C ATOM 718 OD1 ASN A 44 16.642 -0.830 0.916 1.00 0.00 O ATOM 719 ND2 ASN A 44 17.627 -2.224 2.298 1.00 0.00 N ATOM 0 H ASN A 44 14.466 -1.707 -0.614 1.00 0.00 H new ATOM 0 HA ASN A 44 16.604 -3.437 -0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.558 -2.448 1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.614 -3.750 1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 44 18.386 -1.561 2.454 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.632 -3.126 2.774 1.00 0.00 H new ATOM 726 N ASN A 45 13.755 -5.010 -0.510 1.00 0.00 N ATOM 727 CA ASN A 45 13.137 -6.331 -0.573 1.00 0.00 C ATOM 728 C ASN A 45 13.051 -6.809 -2.020 1.00 0.00 C ATOM 729 O ASN A 45 13.068 -8.009 -2.294 1.00 0.00 O ATOM 730 CB ASN A 45 11.725 -6.300 0.020 1.00 0.00 C ATOM 731 CG ASN A 45 11.759 -5.656 1.402 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.821 -4.356 1.499 1.00 0.00 O flip ATOM 733 ND2 ASN A 45 11.731 -6.349 2.418 1.00 0.00 N flip ATOM 0 H ASN A 45 13.127 -4.234 -0.718 1.00 0.00 H new ATOM 0 HA ASN A 45 13.757 -7.015 0.006 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.058 -5.741 -0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.328 -7.313 0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.683 -7.365 2.341 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.756 -5.908 3.337 1.00 0.00 H new ATOM 740 N ASN A 46 12.950 -5.854 -2.947 1.00 0.00 N ATOM 741 CA ASN A 46 12.854 -6.187 -4.366 1.00 0.00 C ATOM 742 C ASN A 46 11.587 -6.997 -4.627 1.00 0.00 C ATOM 743 O ASN A 46 11.636 -8.146 -5.072 1.00 0.00 O ATOM 744 CB ASN A 46 14.080 -6.992 -4.817 1.00 0.00 C ATOM 745 CG ASN A 46 15.143 -6.043 -5.357 1.00 0.00 C ATOM 746 OD1 ASN A 46 14.888 -5.275 -6.285 1.00 0.00 O ATOM 747 ND2 ASN A 46 16.335 -6.047 -4.825 1.00 0.00 N ATOM 0 H ASN A 46 12.933 -4.855 -2.742 1.00 0.00 H new ATOM 0 HA ASN A 46 12.815 -5.258 -4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.480 -7.564 -3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.794 -7.710 -5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.053 -5.415 -5.178 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.548 -6.682 -4.056 1.00 0.00 H new ATOM 754 N ARG A 47 10.443 -6.382 -4.337 1.00 0.00 N ATOM 755 CA ARG A 47 9.159 -7.052 -4.538 1.00 0.00 C ATOM 756 C ARG A 47 8.019 -6.041 -4.516 1.00 0.00 C ATOM 757 O ARG A 47 8.230 -4.854 -4.281 1.00 0.00 O ATOM 758 CB ARG A 47 8.922 -8.096 -3.443 1.00 0.00 C ATOM 759 CG ARG A 47 9.535 -9.432 -3.868 1.00 0.00 C ATOM 760 CD ARG A 47 8.672 -10.582 -3.347 1.00 0.00 C ATOM 761 NE ARG A 47 8.548 -10.515 -1.894 1.00 0.00 N ATOM 762 CZ ARG A 47 7.684 -11.290 -1.244 1.00 0.00 C ATOM 763 NH1 ARG A 47 6.402 -11.122 -1.413 1.00 0.00 N ATOM 764 NH2 ARG A 47 8.119 -12.220 -0.438 1.00 0.00 N ATOM 0 H ARG A 47 10.377 -5.434 -3.967 1.00 0.00 H new ATOM 0 HA ARG A 47 9.187 -7.545 -5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.366 -7.762 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.853 -8.215 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.607 -9.481 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.549 -9.519 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.683 -10.538 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.114 -11.535 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 47 9.133 -9.864 -1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.062 -10.396 -2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.740 -11.716 -0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.122 -12.353 -0.306 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.456 -12.814 0.060 1.00 0.00 H new ATOM 778 N GLN A 48 6.805 -6.528 -4.771 1.00 0.00 N ATOM 779 CA GLN A 48 5.629 -5.660 -4.787 1.00 0.00 C ATOM 780 C GLN A 48 4.815 -5.825 -3.505 1.00 0.00 C ATOM 781 O GLN A 48 4.604 -6.942 -3.032 1.00 0.00 O ATOM 782 CB GLN A 48 4.742 -5.996 -5.989 1.00 0.00 C ATOM 783 CG GLN A 48 3.625 -4.958 -6.115 1.00 0.00 C ATOM 784 CD GLN A 48 2.417 -5.588 -6.799 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.287 -5.527 -8.022 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.517 -6.196 -6.077 1.00 0.00 N ATOM 0 H GLN A 48 6.611 -7.510 -4.968 1.00 0.00 H new ATOM 0 HA GLN A 48 5.973 -4.628 -4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.340 -6.013 -6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.314 -6.991 -5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.345 -4.588 -5.129 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.975 -4.100 -6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.625 -6.247 -5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.705 -6.621 -6.525 1.00 0.00 H new ATOM 795 N VAL A 49 4.355 -4.703 -2.946 1.00 0.00 N ATOM 796 CA VAL A 49 3.561 -4.759 -1.714 1.00 0.00 C ATOM 797 C VAL A 49 2.570 -3.606 -1.638 1.00 0.00 C ATOM 798 O VAL A 49 2.820 -2.519 -2.153 1.00 0.00 O ATOM 799 CB VAL A 49 4.459 -4.676 -0.478 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.292 -5.947 -0.355 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.383 -3.465 -0.605 1.00 0.00 C ATOM 0 H VAL A 49 4.513 -3.765 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 49 3.027 -5.709 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 49 3.839 -4.571 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.929 -5.881 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.630 -6.808 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.913 -6.062 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.024 -3.403 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.000 -3.570 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.785 -2.557 -0.682 1.00 0.00 H new ATOM 811 N CYS A 50 1.460 -3.847 -0.946 1.00 0.00 N ATOM 812 CA CYS A 50 0.452 -2.811 -0.764 1.00 0.00 C ATOM 813 C CYS A 50 0.786 -2.011 0.479 1.00 0.00 C ATOM 814 O CYS A 50 0.868 -2.554 1.582 1.00 0.00 O ATOM 815 CB CYS A 50 -0.948 -3.411 -0.618 1.00 0.00 C ATOM 816 SG CYS A 50 -1.733 -3.518 -2.249 1.00 0.00 S ATOM 0 H CYS A 50 1.238 -4.741 -0.507 1.00 0.00 H new ATOM 0 HA CYS A 50 0.455 -2.170 -1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.886 -4.401 -0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.552 -2.795 0.048 1.00 0.00 H new ATOM 821 N ILE A 51 0.999 -0.717 0.292 1.00 0.00 N ATOM 822 CA ILE A 51 1.348 0.140 1.414 1.00 0.00 C ATOM 823 C ILE A 51 0.098 0.647 2.104 1.00 0.00 C ATOM 824 O ILE A 51 -0.970 0.755 1.500 1.00 0.00 O ATOM 825 CB ILE A 51 2.201 1.320 0.954 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.400 0.801 0.163 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.713 2.086 2.171 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.936 1.921 -0.716 1.00 0.00 C ATOM 0 H ILE A 51 0.938 -0.244 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 51 1.928 -0.453 2.121 1.00 0.00 H new ATOM 0 HB ILE A 51 1.596 1.977 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.177 0.452 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.106 -0.051 -0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.322 2.928 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.867 2.455 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.316 1.423 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.793 1.559 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.156 2.249 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.244 2.759 -0.090 1.00 0.00 H new ATOM 840 N ASP A 52 0.242 0.934 3.389 1.00 0.00 N ATOM 841 CA ASP A 52 -0.879 1.402 4.187 1.00 0.00 C ATOM 842 C ASP A 52 -1.151 2.887 3.916 1.00 0.00 C ATOM 843 O ASP A 52 -0.217 3.670 3.748 1.00 0.00 O ATOM 844 CB ASP A 52 -0.570 1.204 5.677 1.00 0.00 C ATOM 845 CG ASP A 52 -1.797 0.648 6.393 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.127 -0.502 6.156 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.389 1.381 7.167 1.00 0.00 O ATOM 0 H ASP A 52 1.121 0.851 3.899 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.764 0.827 3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.271 0.521 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.276 2.153 6.125 1.00 0.00 H new ATOM 852 N PRO A 53 -2.432 3.298 3.874 1.00 0.00 N ATOM 853 CA PRO A 53 -2.796 4.709 3.624 1.00 0.00 C ATOM 854 C PRO A 53 -2.579 5.591 4.850 1.00 0.00 C ATOM 855 O PRO A 53 -2.407 6.805 4.737 1.00 0.00 O ATOM 856 CB PRO A 53 -4.276 4.625 3.271 1.00 0.00 C ATOM 857 CG PRO A 53 -4.804 3.344 3.891 1.00 0.00 C ATOM 858 CD PRO A 53 -3.608 2.411 4.078 1.00 0.00 C ATOM 0 HA PRO A 53 -2.183 5.163 2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.815 5.491 3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.416 4.617 2.190 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.286 3.549 4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.554 2.885 3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.603 1.961 5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.622 1.593 3.358 1.00 0.00 H new ATOM 866 N LYS A 54 -2.582 4.965 6.026 1.00 0.00 N ATOM 867 CA LYS A 54 -2.378 5.702 7.267 1.00 0.00 C ATOM 868 C LYS A 54 -0.887 5.842 7.597 1.00 0.00 C ATOM 869 O LYS A 54 -0.529 6.305 8.680 1.00 0.00 O ATOM 870 CB LYS A 54 -3.075 4.992 8.429 1.00 0.00 C ATOM 871 CG LYS A 54 -3.498 6.022 9.478 1.00 0.00 C ATOM 872 CD LYS A 54 -4.815 6.675 9.052 1.00 0.00 C ATOM 873 CE LYS A 54 -5.980 5.744 9.390 1.00 0.00 C ATOM 874 NZ LYS A 54 -7.135 6.050 8.499 1.00 0.00 N ATOM 0 H LYS A 54 -2.722 3.961 6.143 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.804 6.696 7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.947 4.448 8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.404 4.258 8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.616 5.540 10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.724 6.781 9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.940 7.631 9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.801 6.883 7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.677 4.704 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.269 5.869 10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.928 5.417 8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.429 7.038 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.855 5.909 7.507 1.00 0.00 H new ATOM 888 N LEU A 55 -0.014 5.449 6.661 1.00 0.00 N ATOM 889 CA LEU A 55 1.424 5.557 6.897 1.00 0.00 C ATOM 890 C LEU A 55 1.812 7.018 7.075 1.00 0.00 C ATOM 891 O LEU A 55 1.084 7.924 6.669 1.00 0.00 O ATOM 892 CB LEU A 55 2.215 4.945 5.734 1.00 0.00 C ATOM 893 CG LEU A 55 2.705 3.540 6.111 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.463 2.920 4.932 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.635 3.623 7.325 1.00 0.00 C ATOM 0 H LEU A 55 -0.274 5.062 5.754 1.00 0.00 H new ATOM 0 HA LEU A 55 1.666 5.006 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.587 4.893 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.065 5.581 5.488 1.00 0.00 H new ATOM 0 HG LEU A 55 1.844 2.918 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.808 1.923 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.800 2.851 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.320 3.545 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.980 2.623 7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.493 4.251 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.095 4.054 8.168 1.00 0.00 H new ATOM 907 N LYS A 56 2.954 7.236 7.712 1.00 0.00 N ATOM 908 CA LYS A 56 3.416 8.589 7.971 1.00 0.00 C ATOM 909 C LYS A 56 3.901 9.270 6.702 1.00 0.00 C ATOM 910 O LYS A 56 3.694 10.470 6.517 1.00 0.00 O ATOM 911 CB LYS A 56 4.546 8.586 9.002 1.00 0.00 C ATOM 912 CG LYS A 56 4.752 10.004 9.538 1.00 0.00 C ATOM 913 CD LYS A 56 3.839 10.231 10.745 1.00 0.00 C ATOM 914 CE LYS A 56 4.521 9.701 12.009 1.00 0.00 C ATOM 915 NZ LYS A 56 3.611 9.878 13.175 1.00 0.00 N ATOM 0 H LYS A 56 3.571 6.500 8.055 1.00 0.00 H new ATOM 0 HA LYS A 56 2.565 9.147 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.304 7.908 9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.467 8.221 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.794 10.148 9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.531 10.734 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.621 11.293 10.855 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.886 9.724 10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.771 8.647 11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.457 10.233 12.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.074 9.518 14.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.394 10.888 13.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.729 9.352 13.010 1.00 0.00 H new ATOM 929 N TRP A 57 4.552 8.514 5.830 1.00 0.00 N ATOM 930 CA TRP A 57 5.046 9.101 4.594 1.00 0.00 C ATOM 931 C TRP A 57 3.970 9.081 3.517 1.00 0.00 C ATOM 932 O TRP A 57 3.918 9.971 2.667 1.00 0.00 O ATOM 933 CB TRP A 57 6.324 8.410 4.106 1.00 0.00 C ATOM 934 CG TRP A 57 6.072 6.993 3.696 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.060 5.919 4.523 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.823 6.481 2.360 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.845 4.779 3.764 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.689 5.079 2.429 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.708 7.100 1.105 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.452 4.314 1.291 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.462 6.332 -0.046 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.337 4.941 0.048 1.00 0.00 C ATOM 0 H TRP A 57 4.747 7.520 5.949 1.00 0.00 H new ATOM 0 HA TRP A 57 5.300 10.140 4.805 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.736 8.964 3.263 1.00 0.00 H new ATOM 0 HB3 TRP A 57 7.073 8.431 4.898 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.195 5.947 5.594 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.807 3.834 4.147 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.809 8.172 1.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.357 3.241 1.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.369 6.817 -1.007 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.152 4.353 -0.839 1.00 0.00 H new ATOM 953 N ILE A 58 3.098 8.073 3.560 1.00 0.00 N ATOM 954 CA ILE A 58 2.037 8.002 2.574 1.00 0.00 C ATOM 955 C ILE A 58 0.928 8.998 2.923 1.00 0.00 C ATOM 956 O ILE A 58 0.151 9.376 2.052 1.00 0.00 O ATOM 957 CB ILE A 58 1.482 6.563 2.424 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.533 5.745 1.622 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.109 6.571 1.700 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.892 4.611 0.804 1.00 0.00 C ATOM 0 H ILE A 58 3.108 7.319 4.247 1.00 0.00 H new ATOM 0 HA ILE A 58 2.456 8.276 1.606 1.00 0.00 H new ATOM 0 HB ILE A 58 1.317 6.112 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.074 6.412 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.265 5.324 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.259 5.549 1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.603 7.162 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.224 7.007 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.668 4.070 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.373 3.926 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.180 5.032 0.094 1.00 0.00 H new ATOM 972 N GLN A 59 0.850 9.434 4.186 1.00 0.00 N ATOM 973 CA GLN A 59 -0.186 10.392 4.542 1.00 0.00 C ATOM 974 C GLN A 59 0.082 11.723 3.843 1.00 0.00 C ATOM 975 O GLN A 59 -0.846 12.463 3.518 1.00 0.00 O ATOM 976 CB GLN A 59 -0.286 10.601 6.058 1.00 0.00 C ATOM 977 CG GLN A 59 1.050 11.103 6.616 1.00 0.00 C ATOM 978 CD GLN A 59 0.803 12.238 7.606 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.089 13.063 7.406 1.00 0.00 O ATOM 980 NE2 GLN A 59 1.549 12.328 8.674 1.00 0.00 N ATOM 0 H GLN A 59 1.467 9.149 4.946 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.141 9.986 4.210 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.074 11.320 6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.562 9.665 6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.578 10.287 7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.687 11.450 5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.288 11.644 8.839 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.393 13.082 9.343 1.00 0.00 H new ATOM 989 N GLU A 60 1.359 12.004 3.580 1.00 0.00 N ATOM 990 CA GLU A 60 1.723 13.231 2.879 1.00 0.00 C ATOM 991 C GLU A 60 1.495 13.032 1.384 1.00 0.00 C ATOM 992 O GLU A 60 1.072 13.944 0.673 1.00 0.00 O ATOM 993 CB GLU A 60 3.193 13.582 3.127 1.00 0.00 C ATOM 994 CG GLU A 60 3.295 14.571 4.290 1.00 0.00 C ATOM 995 CD GLU A 60 3.011 13.847 5.601 1.00 0.00 C ATOM 996 OE1 GLU A 60 3.699 12.880 5.882 1.00 0.00 O ATOM 997 OE2 GLU A 60 2.110 14.271 6.306 1.00 0.00 O ATOM 0 H GLU A 60 2.146 11.408 3.838 1.00 0.00 H new ATOM 0 HA GLU A 60 1.105 14.048 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.760 12.679 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.631 14.016 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.290 15.016 4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.585 15.386 4.151 1.00 0.00 H new ATOM 1004 N TYR A 61 1.769 11.811 0.925 1.00 0.00 N ATOM 1005 CA TYR A 61 1.584 11.461 -0.481 1.00 0.00 C ATOM 1006 C TYR A 61 0.091 11.499 -0.823 1.00 0.00 C ATOM 1007 O TYR A 61 -0.335 12.194 -1.744 1.00 0.00 O ATOM 1008 CB TYR A 61 2.183 10.052 -0.737 1.00 0.00 C ATOM 1009 CG TYR A 61 1.544 9.358 -1.927 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.346 10.047 -3.129 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.141 8.024 -1.810 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.746 9.398 -4.215 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.540 7.376 -2.891 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.342 8.062 -4.097 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.251 7.423 -5.166 1.00 0.00 O ATOM 0 H TYR A 61 2.119 11.049 1.506 1.00 0.00 H new ATOM 0 HA TYR A 61 2.099 12.178 -1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.256 10.142 -0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.050 9.437 0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.656 11.078 -3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.295 7.494 -0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.595 9.928 -5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.228 6.346 -2.798 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.469 6.501 -4.916 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.686 10.737 -0.066 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.124 10.678 -0.285 1.00 0.00 C ATOM 1027 C LEU A 62 -2.753 12.056 -0.087 1.00 0.00 C ATOM 1028 O LEU A 62 -3.796 12.368 -0.661 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.753 9.681 0.692 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.774 8.805 -0.039 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.896 7.458 0.674 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.135 9.505 -0.041 1.00 0.00 C ATOM 0 H LEU A 62 -0.348 10.155 0.700 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.308 10.353 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.978 9.057 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.239 10.216 1.508 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.445 8.643 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.623 6.835 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.927 6.959 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.225 7.618 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.863 8.883 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.463 9.666 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.049 10.465 -0.549 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.102 12.878 0.733 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.601 14.224 1.000 1.00 0.00 C ATOM 1046 C GLU A 63 -2.484 15.088 -0.252 1.00 0.00 C ATOM 1047 O GLU A 63 -3.369 15.886 -0.558 1.00 0.00 O ATOM 1048 CB GLU A 63 -1.809 14.875 2.137 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.527 14.631 3.467 1.00 0.00 C ATOM 1050 CD GLU A 63 -3.635 15.662 3.643 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -3.334 16.843 3.585 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -4.770 15.256 3.833 1.00 0.00 O ATOM 0 H GLU A 63 -1.238 12.639 1.219 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.648 14.146 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.801 14.462 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.708 15.945 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.945 13.625 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.819 14.698 4.293 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.377 14.920 -0.974 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.154 15.692 -2.194 1.00 0.00 C ATOM 1061 C LYS A 64 -1.827 15.019 -3.389 1.00 0.00 C ATOM 1062 O LYS A 64 -2.239 15.682 -4.340 1.00 0.00 O ATOM 1063 CB LYS A 64 0.345 15.837 -2.478 1.00 0.00 C ATOM 1064 CG LYS A 64 0.995 14.453 -2.558 1.00 0.00 C ATOM 1065 CD LYS A 64 2.397 14.584 -3.154 1.00 0.00 C ATOM 1066 CE LYS A 64 2.294 14.761 -4.670 1.00 0.00 C ATOM 1067 NZ LYS A 64 3.487 14.150 -5.323 1.00 0.00 N ATOM 0 H LYS A 64 -0.630 14.266 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.589 16.680 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.497 16.375 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.818 16.426 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.050 14.007 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.387 13.789 -3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.913 15.436 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.987 13.698 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.383 14.292 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.232 15.820 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.418 14.270 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.349 14.617 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.527 13.136 -5.094 1.00 0.00 H new ATOM 1081 N ALA A 65 -1.933 13.693 -3.330 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.557 12.941 -4.415 1.00 0.00 C ATOM 1083 C ALA A 65 -4.076 13.058 -4.343 1.00 0.00 C ATOM 1084 O ALA A 65 -4.762 13.061 -5.364 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.168 11.463 -4.334 1.00 0.00 C ATOM 0 H ALA A 65 -1.599 13.123 -2.552 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.205 13.359 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.642 10.917 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.085 11.367 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.500 11.051 -3.381 1.00 0.00 H new