USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 670 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 Single : A 16 THR OG1 : rot -28:sc= 0.812 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.657 K(o=0.66,f=-0.0068) USER MOD Single : A 28 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.2) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 32 THR OG1 : rot -55:sc= 0.603 USER MOD Single : A 33 LYS NZ :NH3+ -134:sc= -0.496 (180deg=-1.61!) USER MOD Single : A 37 ASN : amide:sc= -3.31! C(o=-3.3!,f=-5.7!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0706 USER MOD Single : A 53 TYR OH : rot -60:sc= -1.7 USER MOD Single : A 54 LYS NZ :NH3+ -126:sc= -0.701 (180deg=-3.43!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.469 K(o=-0.47,f=-3.2!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 158:sc= -0.255 USER MOD Single : A 71 ASN : amide:sc= 0.00574 K(o=0.0057,f=-5.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 57:sc= 0.162 USER MOD Single : A 93 THR OG1 : rot 170:sc= -0.52 USER MOD Single : A 99 THR OG1 : rot -160:sc= -0.131 USER MOD Single : A 100 SER OG : rot 170:sc= -0.588 USER MOD Single : A 101 SER OG : rot 107:sc= -0.913 USER MOD Single : A 103 GLN : amide:sc= -0.0291 K(o=-0.029,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -5.919 -24.370 0.035 1.00 0.00 N ATOM 199 CA THR A 16 -4.956 -23.486 -0.600 1.00 0.00 C ATOM 200 C THR A 16 -5.510 -22.062 -0.679 1.00 0.00 C ATOM 201 O THR A 16 -6.715 -21.853 -0.548 1.00 0.00 O ATOM 202 CB THR A 16 -4.601 -24.077 -1.966 1.00 0.00 C ATOM 203 OG1 THR A 16 -5.836 -24.597 -2.451 1.00 0.00 O ATOM 204 CG2 THR A 16 -3.697 -25.306 -1.856 1.00 0.00 C ATOM 0 HA THR A 16 -4.040 -23.412 -0.014 1.00 0.00 H new ATOM 0 HB THR A 16 -4.108 -23.317 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.402 -24.856 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.476 -25.685 -2.854 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.767 -25.030 -1.358 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.203 -26.079 -1.278 1.00 0.00 H new ATOM 212 N PRO A 17 -4.580 -21.095 -0.897 1.00 0.00 N ATOM 213 CA PRO A 17 -4.963 -19.697 -0.995 1.00 0.00 C ATOM 214 C PRO A 17 -5.633 -19.404 -2.339 1.00 0.00 C ATOM 215 O PRO A 17 -5.357 -20.075 -3.333 1.00 0.00 O ATOM 216 CB PRO A 17 -3.672 -18.920 -0.794 1.00 0.00 C ATOM 217 CG PRO A 17 -2.546 -19.908 -1.054 1.00 0.00 C ATOM 218 CD PRO A 17 -3.144 -21.306 -1.057 1.00 0.00 C ATOM 0 HA PRO A 17 -5.705 -19.412 -0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.615 -18.074 -1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.612 -18.517 0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.065 -19.696 -2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.778 -19.823 -0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.922 -21.830 -1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.740 -21.911 -0.246 1.00 0.00 H new ATOM 226 N PRO A 18 -6.523 -18.376 -2.326 1.00 0.00 N ATOM 227 CA PRO A 18 -7.234 -17.987 -3.532 1.00 0.00 C ATOM 228 C PRO A 18 -6.316 -17.225 -4.489 1.00 0.00 C ATOM 229 O PRO A 18 -5.395 -16.535 -4.053 1.00 0.00 O ATOM 230 CB PRO A 18 -8.407 -17.152 -3.044 1.00 0.00 C ATOM 231 CG PRO A 18 -8.051 -16.717 -1.632 1.00 0.00 C ATOM 232 CD PRO A 18 -6.874 -17.560 -1.168 1.00 0.00 C ATOM 0 HA PRO A 18 -7.583 -18.843 -4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.567 -16.289 -3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.330 -17.732 -3.053 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.794 -15.658 -1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.903 -16.851 -0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.038 -16.935 -0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.144 -18.181 -0.313 1.00 0.00 H new ATOM 240 N SER A 19 -6.598 -17.375 -5.774 1.00 0.00 N ATOM 241 CA SER A 19 -5.808 -16.710 -6.797 1.00 0.00 C ATOM 242 C SER A 19 -6.420 -15.346 -7.125 1.00 0.00 C ATOM 243 O SER A 19 -6.282 -14.854 -8.244 1.00 0.00 O ATOM 244 CB SER A 19 -5.710 -17.566 -8.061 1.00 0.00 C ATOM 245 OG SER A 19 -4.540 -18.380 -8.065 1.00 0.00 O ATOM 0 H SER A 19 -7.363 -17.948 -6.131 1.00 0.00 H new ATOM 0 HA SER A 19 -4.799 -16.566 -6.411 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.593 -18.200 -8.139 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.704 -16.919 -8.938 1.00 0.00 H new ATOM 0 HG SER A 19 -4.515 -18.913 -8.887 1.00 0.00 H new ATOM 251 N GLN A 20 -7.082 -14.775 -6.130 1.00 0.00 N ATOM 252 CA GLN A 20 -7.715 -13.478 -6.300 1.00 0.00 C ATOM 253 C GLN A 20 -6.881 -12.388 -5.622 1.00 0.00 C ATOM 254 O GLN A 20 -6.811 -12.327 -4.396 1.00 0.00 O ATOM 255 CB GLN A 20 -9.145 -13.491 -5.757 1.00 0.00 C ATOM 256 CG GLN A 20 -10.151 -13.787 -6.871 1.00 0.00 C ATOM 257 CD GLN A 20 -11.289 -14.674 -6.360 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.313 -15.877 -6.565 1.00 0.00 O ATOM 259 NE2 GLN A 20 -12.227 -14.016 -5.686 1.00 0.00 N ATOM 0 H GLN A 20 -7.194 -15.186 -5.203 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.768 -13.258 -7.366 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.233 -14.243 -4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.374 -12.527 -5.302 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.558 -12.852 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.645 -14.280 -7.701 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.146 -13.008 -5.551 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.028 -14.519 -5.304 1.00 0.00 H new ATOM 268 N PRO A 21 -6.254 -11.532 -6.473 1.00 0.00 N ATOM 269 CA PRO A 21 -5.428 -10.448 -5.970 1.00 0.00 C ATOM 270 C PRO A 21 -6.292 -9.315 -5.411 1.00 0.00 C ATOM 271 O PRO A 21 -7.428 -9.124 -5.843 1.00 0.00 O ATOM 272 CB PRO A 21 -4.579 -10.018 -7.155 1.00 0.00 C ATOM 273 CG PRO A 21 -5.282 -10.557 -8.390 1.00 0.00 C ATOM 274 CD PRO A 21 -6.315 -11.574 -7.931 1.00 0.00 C ATOM 0 HA PRO A 21 -4.797 -10.752 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.491 -8.932 -7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.568 -10.417 -7.076 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.761 -9.747 -8.940 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.564 -11.021 -9.066 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.311 -11.318 -8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.085 -12.570 -8.308 1.00 0.00 H new ATOM 282 N PRO A 22 -5.705 -8.573 -4.434 1.00 0.00 N ATOM 283 CA PRO A 22 -6.408 -7.464 -3.812 1.00 0.00 C ATOM 284 C PRO A 22 -6.460 -6.254 -4.747 1.00 0.00 C ATOM 285 O PRO A 22 -5.424 -5.772 -5.203 1.00 0.00 O ATOM 286 CB PRO A 22 -5.647 -7.188 -2.526 1.00 0.00 C ATOM 287 CG PRO A 22 -4.283 -7.837 -2.700 1.00 0.00 C ATOM 288 CD PRO A 22 -4.361 -8.770 -3.898 1.00 0.00 C ATOM 0 HA PRO A 22 -7.452 -7.694 -3.600 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.550 -6.116 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.171 -7.604 -1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.516 -7.078 -2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.006 -8.390 -1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.600 -8.527 -4.639 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.200 -9.807 -3.603 1.00 0.00 H new ATOM 296 N GLY A 23 -7.677 -5.798 -5.005 1.00 0.00 N ATOM 297 CA GLY A 23 -7.877 -4.654 -5.878 1.00 0.00 C ATOM 298 C GLY A 23 -8.099 -3.377 -5.065 1.00 0.00 C ATOM 299 O GLY A 23 -7.998 -3.392 -3.839 1.00 0.00 O ATOM 0 H GLY A 23 -8.534 -6.200 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.010 -4.531 -6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.736 -4.831 -6.525 1.00 0.00 H new ATOM 303 N ASN A 24 -8.397 -2.302 -5.780 1.00 0.00 N ATOM 304 CA ASN A 24 -8.633 -1.019 -5.141 1.00 0.00 C ATOM 305 C ASN A 24 -7.416 -0.645 -4.292 1.00 0.00 C ATOM 306 O ASN A 24 -7.513 0.194 -3.398 1.00 0.00 O ATOM 307 CB ASN A 24 -9.852 -1.080 -4.218 1.00 0.00 C ATOM 308 CG ASN A 24 -10.641 0.230 -4.265 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.682 0.336 -4.892 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.089 1.219 -3.568 1.00 0.00 N ATOM 0 H ASN A 24 -8.480 -2.294 -6.797 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.808 -0.280 -5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.496 -1.908 -4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.529 -1.278 -3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.539 2.134 -3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.215 1.063 -3.065 1.00 0.00 H new ATOM 317 N VAL A 25 -6.299 -1.285 -4.603 1.00 0.00 N ATOM 318 CA VAL A 25 -5.064 -1.030 -3.880 1.00 0.00 C ATOM 319 C VAL A 25 -4.660 0.433 -4.070 1.00 0.00 C ATOM 320 O VAL A 25 -3.965 0.769 -5.028 1.00 0.00 O ATOM 321 CB VAL A 25 -3.982 -2.013 -4.330 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.720 -1.868 -3.477 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.501 -3.452 -4.300 1.00 0.00 C ATOM 0 H VAL A 25 -6.223 -1.980 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.206 -1.191 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.720 -1.773 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.967 -2.578 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.332 -0.854 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.961 -2.068 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.712 -4.130 -4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.805 -3.708 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.356 -3.544 -4.969 1.00 0.00 H new ATOM 333 N VAL A 26 -5.112 1.264 -3.143 1.00 0.00 N ATOM 334 CA VAL A 26 -4.805 2.683 -3.197 1.00 0.00 C ATOM 335 C VAL A 26 -3.768 3.018 -2.123 1.00 0.00 C ATOM 336 O VAL A 26 -3.680 2.334 -1.105 1.00 0.00 O ATOM 337 CB VAL A 26 -6.091 3.502 -3.061 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.091 3.138 -4.161 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.712 3.322 -1.674 1.00 0.00 C ATOM 0 H VAL A 26 -5.688 0.982 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.369 2.943 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.832 4.554 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.996 3.734 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.649 3.341 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.341 2.080 -4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.624 3.915 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.950 2.270 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.005 3.653 -0.913 1.00 0.00 H new ATOM 349 N TRP A 27 -3.007 4.070 -2.388 1.00 0.00 N ATOM 350 CA TRP A 27 -1.979 4.504 -1.457 1.00 0.00 C ATOM 351 C TRP A 27 -2.172 6.000 -1.203 1.00 0.00 C ATOM 352 O TRP A 27 -3.066 6.621 -1.777 1.00 0.00 O ATOM 353 CB TRP A 27 -0.584 4.162 -1.983 1.00 0.00 C ATOM 354 CG TRP A 27 -0.237 4.838 -3.311 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.432 4.370 -4.551 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.378 6.133 -3.482 1.00 0.00 C ATOM 357 NE1 TRP A 27 0.011 5.264 -5.505 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.519 6.370 -4.834 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.802 7.072 -2.525 1.00 0.00 C ATOM 360 CZ2 TRP A 27 1.083 7.542 -5.352 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.364 8.238 -3.059 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.512 8.492 -4.417 1.00 0.00 C ATOM 0 H TRP A 27 -3.082 4.635 -3.234 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.070 3.976 -0.508 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.156 4.450 -1.236 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.508 3.082 -2.106 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.880 3.413 -4.776 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.027 5.136 -6.516 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.702 6.907 -1.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.182 7.705 -6.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.706 8.993 -2.367 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.956 9.418 -4.750 1.00 0.00 H new ATOM 373 N ASN A 28 -1.320 6.536 -0.342 1.00 0.00 N ATOM 374 CA ASN A 28 -1.386 7.948 -0.004 1.00 0.00 C ATOM 375 C ASN A 28 -0.181 8.317 0.864 1.00 0.00 C ATOM 376 O ASN A 28 0.518 7.439 1.367 1.00 0.00 O ATOM 377 CB ASN A 28 -2.655 8.267 0.787 1.00 0.00 C ATOM 378 CG ASN A 28 -3.789 8.700 -0.145 1.00 0.00 C ATOM 379 OD1 ASN A 28 -3.595 9.433 -1.101 1.00 0.00 O ATOM 380 ND2 ASN A 28 -4.979 8.208 0.186 1.00 0.00 N ATOM 0 H ASN A 28 -0.580 6.018 0.132 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.389 8.517 -0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.963 7.390 1.357 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.449 9.059 1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.800 8.439 -0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.071 7.600 1.000 1.00 0.00 H new ATOM 387 N ALA A 29 0.024 9.617 1.014 1.00 0.00 N ATOM 388 CA ALA A 29 1.131 10.113 1.813 1.00 0.00 C ATOM 389 C ALA A 29 0.631 11.226 2.736 1.00 0.00 C ATOM 390 O ALA A 29 0.178 12.269 2.267 1.00 0.00 O ATOM 391 CB ALA A 29 2.257 10.583 0.890 1.00 0.00 C ATOM 0 H ALA A 29 -0.558 10.342 0.595 1.00 0.00 H new ATOM 0 HA ALA A 29 1.535 9.320 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.088 10.955 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.597 9.748 0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.889 11.381 0.245 1.00 0.00 H new ATOM 397 N THR A 30 0.729 10.966 4.031 1.00 0.00 N ATOM 398 CA THR A 30 0.291 11.932 5.024 1.00 0.00 C ATOM 399 C THR A 30 1.091 11.767 6.318 1.00 0.00 C ATOM 400 O THR A 30 1.578 10.678 6.616 1.00 0.00 O ATOM 401 CB THR A 30 -1.217 11.763 5.217 1.00 0.00 C ATOM 402 OG1 THR A 30 -1.442 12.161 6.566 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.650 10.296 5.184 1.00 0.00 C ATOM 0 H THR A 30 1.106 10.100 4.416 1.00 0.00 H new ATOM 0 HA THR A 30 0.478 12.953 4.691 1.00 0.00 H new ATOM 0 HB THR A 30 -1.746 12.316 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.396 12.083 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.729 10.232 5.326 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.384 9.860 4.221 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.146 9.750 5.982 1.00 0.00 H new ATOM 411 N ASP A 31 1.202 12.865 7.051 1.00 0.00 N ATOM 412 CA ASP A 31 1.935 12.856 8.306 1.00 0.00 C ATOM 413 C ASP A 31 3.240 12.078 8.124 1.00 0.00 C ATOM 414 O ASP A 31 3.615 11.279 8.981 1.00 0.00 O ATOM 415 CB ASP A 31 1.127 12.173 9.411 1.00 0.00 C ATOM 416 CG ASP A 31 -0.390 12.334 9.296 1.00 0.00 C ATOM 417 OD1 ASP A 31 -0.828 13.496 9.154 1.00 0.00 O ATOM 418 OD2 ASP A 31 -1.078 11.291 9.353 1.00 0.00 O ATOM 0 H ASP A 31 0.797 13.767 6.800 1.00 0.00 H new ATOM 0 HA ASP A 31 2.131 13.890 8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.366 11.109 9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.448 12.571 10.374 1.00 0.00 H new ATOM 423 N THR A 32 3.895 12.338 7.002 1.00 0.00 N ATOM 424 CA THR A 32 5.150 11.672 6.697 1.00 0.00 C ATOM 425 C THR A 32 4.988 10.154 6.803 1.00 0.00 C ATOM 426 O THR A 32 5.875 9.465 7.304 1.00 0.00 O ATOM 427 CB THR A 32 6.223 12.234 7.631 1.00 0.00 C ATOM 428 OG1 THR A 32 6.187 11.370 8.763 1.00 0.00 O ATOM 429 CG2 THR A 32 5.847 13.605 8.197 1.00 0.00 C ATOM 0 H THR A 32 3.580 13.001 6.293 1.00 0.00 H new ATOM 0 HA THR A 32 5.459 11.864 5.670 1.00 0.00 H new ATOM 0 HB THR A 32 7.168 12.310 7.093 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.277 11.343 9.125 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.642 13.958 8.853 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.711 14.312 7.378 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.919 13.523 8.763 1.00 0.00 H new ATOM 437 N LYS A 33 3.848 9.678 6.324 1.00 0.00 N ATOM 438 CA LYS A 33 3.557 8.255 6.359 1.00 0.00 C ATOM 439 C LYS A 33 2.824 7.856 5.076 1.00 0.00 C ATOM 440 O LYS A 33 2.279 8.710 4.378 1.00 0.00 O ATOM 441 CB LYS A 33 2.799 7.893 7.638 1.00 0.00 C ATOM 442 CG LYS A 33 2.469 6.400 7.676 1.00 0.00 C ATOM 443 CD LYS A 33 1.767 6.027 8.984 1.00 0.00 C ATOM 444 CE LYS A 33 2.782 5.628 10.056 1.00 0.00 C ATOM 445 NZ LYS A 33 3.661 4.544 9.561 1.00 0.00 N ATOM 0 H LYS A 33 3.115 10.253 5.909 1.00 0.00 H new ATOM 0 HA LYS A 33 4.482 7.679 6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.399 8.159 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.879 8.474 7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.831 6.143 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.385 5.819 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.174 6.871 9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.076 5.203 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.384 6.493 10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.260 5.299 10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.746 3.806 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.252 4.133 8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.603 4.931 9.348 1.00 0.00 H new ATOM 459 N VAL A 34 2.835 6.560 4.805 1.00 0.00 N ATOM 460 CA VAL A 34 2.178 6.038 3.618 1.00 0.00 C ATOM 461 C VAL A 34 1.020 5.131 4.039 1.00 0.00 C ATOM 462 O VAL A 34 1.240 4.013 4.502 1.00 0.00 O ATOM 463 CB VAL A 34 3.198 5.330 2.724 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.507 4.633 1.550 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.266 6.308 2.230 1.00 0.00 C ATOM 0 H VAL A 34 3.288 5.855 5.387 1.00 0.00 H new ATOM 0 HA VAL A 34 1.756 6.850 3.026 1.00 0.00 H new ATOM 0 HB VAL A 34 3.695 4.566 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.254 4.138 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.802 3.893 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.972 5.371 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.978 5.779 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.792 7.105 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.789 6.738 3.084 1.00 0.00 H new ATOM 475 N LEU A 35 -0.187 5.647 3.864 1.00 0.00 N ATOM 476 CA LEU A 35 -1.380 4.897 4.219 1.00 0.00 C ATOM 477 C LEU A 35 -1.830 4.063 3.018 1.00 0.00 C ATOM 478 O LEU A 35 -2.273 4.609 2.009 1.00 0.00 O ATOM 479 CB LEU A 35 -2.463 5.836 4.756 1.00 0.00 C ATOM 480 CG LEU A 35 -2.020 6.820 5.841 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.205 7.640 6.354 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.291 6.095 6.974 1.00 0.00 C ATOM 0 H LEU A 35 -0.365 6.575 3.481 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.164 4.200 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.869 6.406 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.277 5.230 5.154 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.311 7.520 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.863 8.331 7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.642 8.203 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.956 6.971 6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.987 6.817 7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.957 5.358 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.409 5.593 6.577 1.00 0.00 H new ATOM 494 N LEU A 36 -1.701 2.753 3.167 1.00 0.00 N ATOM 495 CA LEU A 36 -2.088 1.838 2.107 1.00 0.00 C ATOM 496 C LEU A 36 -3.499 1.312 2.383 1.00 0.00 C ATOM 497 O LEU A 36 -3.886 1.141 3.538 1.00 0.00 O ATOM 498 CB LEU A 36 -1.042 0.733 1.943 1.00 0.00 C ATOM 499 CG LEU A 36 0.368 1.195 1.567 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.288 -0.001 1.319 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.331 2.149 0.371 1.00 0.00 C ATOM 0 H LEU A 36 -1.334 2.303 4.006 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.122 2.358 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.983 0.174 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.392 0.039 1.178 1.00 0.00 H new ATOM 0 HG LEU A 36 0.782 1.750 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.284 0.355 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.348 -0.607 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.889 -0.604 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.345 2.462 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.111 1.641 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.268 3.024 0.622 1.00 0.00 H new ATOM 513 N ASN A 37 -4.228 1.071 1.303 1.00 0.00 N ATOM 514 CA ASN A 37 -5.586 0.569 1.415 1.00 0.00 C ATOM 515 C ASN A 37 -5.949 -0.196 0.140 1.00 0.00 C ATOM 516 O ASN A 37 -5.866 0.348 -0.960 1.00 0.00 O ATOM 517 CB ASN A 37 -6.586 1.716 1.578 1.00 0.00 C ATOM 518 CG ASN A 37 -5.934 2.918 2.263 1.00 0.00 C ATOM 519 OD1 ASN A 37 -4.929 3.449 1.818 1.00 0.00 O ATOM 520 ND2 ASN A 37 -6.559 3.316 3.367 1.00 0.00 N ATOM 0 H ASN A 37 -3.903 1.214 0.347 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.635 -0.079 2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.967 2.012 0.601 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.440 1.378 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.202 4.111 3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.396 2.827 3.684 1.00 0.00 H new ATOM 527 N TRP A 38 -6.342 -1.447 0.331 1.00 0.00 N ATOM 528 CA TRP A 38 -6.718 -2.292 -0.790 1.00 0.00 C ATOM 529 C TRP A 38 -7.999 -3.038 -0.411 1.00 0.00 C ATOM 530 O TRP A 38 -8.305 -3.193 0.770 1.00 0.00 O ATOM 531 CB TRP A 38 -5.572 -3.230 -1.177 1.00 0.00 C ATOM 532 CG TRP A 38 -5.074 -4.110 -0.029 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.501 -5.332 0.319 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.030 -3.786 0.912 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.812 -5.816 1.412 1.00 0.00 N ATOM 536 CE2 TRP A 38 -3.888 -4.846 1.784 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.231 -2.634 1.024 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -2.957 -4.861 2.829 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.305 -2.664 2.074 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.150 -3.724 2.960 1.00 0.00 C ATOM 0 H TRP A 38 -6.408 -1.896 1.245 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.915 -1.691 -1.678 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.901 -3.870 -1.996 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.740 -2.635 -1.552 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.286 -5.870 -0.192 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.954 -6.719 1.864 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.324 -1.793 0.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.866 -5.704 3.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.666 -1.803 2.205 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.411 -3.671 3.746 1.00 0.00 H new ATOM 551 N GLU A 39 -8.713 -3.480 -1.436 1.00 0.00 N ATOM 552 CA GLU A 39 -9.954 -4.206 -1.225 1.00 0.00 C ATOM 553 C GLU A 39 -9.670 -5.569 -0.591 1.00 0.00 C ATOM 554 O GLU A 39 -8.521 -5.894 -0.296 1.00 0.00 O ATOM 555 CB GLU A 39 -10.727 -4.362 -2.536 1.00 0.00 C ATOM 556 CG GLU A 39 -12.040 -3.576 -2.494 1.00 0.00 C ATOM 557 CD GLU A 39 -13.236 -4.516 -2.324 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.668 -5.076 -3.354 1.00 0.00 O ATOM 559 OE2 GLU A 39 -13.690 -4.652 -1.167 1.00 0.00 O ATOM 0 H GLU A 39 -8.456 -3.349 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.577 -3.631 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.115 -4.011 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.936 -5.417 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.014 -2.862 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.153 -3.000 -3.413 1.00 0.00 H new ATOM 566 N GLN A 40 -10.738 -6.331 -0.399 1.00 0.00 N ATOM 567 CA GLN A 40 -10.618 -7.651 0.194 1.00 0.00 C ATOM 568 C GLN A 40 -10.615 -8.725 -0.895 1.00 0.00 C ATOM 569 O GLN A 40 -10.829 -8.424 -2.069 1.00 0.00 O ATOM 570 CB GLN A 40 -11.738 -7.901 1.207 1.00 0.00 C ATOM 571 CG GLN A 40 -13.094 -7.474 0.642 1.00 0.00 C ATOM 572 CD GLN A 40 -14.239 -8.000 1.508 1.00 0.00 C ATOM 573 OE1 GLN A 40 -14.066 -8.357 2.662 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.417 -8.028 0.890 1.00 0.00 N ATOM 0 H GLN A 40 -11.690 -6.058 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.670 -7.702 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.766 -8.959 1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.533 -7.350 2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.144 -6.386 0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.202 -7.848 -0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.493 -7.715 -0.078 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.244 -8.363 1.384 1.00 0.00 H new ATOM 583 N VAL A 41 -10.371 -9.956 -0.469 1.00 0.00 N ATOM 584 CA VAL A 41 -10.338 -11.076 -1.394 1.00 0.00 C ATOM 585 C VAL A 41 -11.116 -12.249 -0.795 1.00 0.00 C ATOM 586 O VAL A 41 -10.739 -12.782 0.247 1.00 0.00 O ATOM 587 CB VAL A 41 -8.889 -11.431 -1.733 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.766 -12.900 -2.143 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.340 -10.509 -2.824 1.00 0.00 C ATOM 0 H VAL A 41 -10.194 -10.202 0.505 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.822 -10.810 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.289 -11.283 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.726 -13.126 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.099 -13.536 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.386 -13.086 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.309 -10.782 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.945 -10.611 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.375 -9.476 -2.479 1.00 0.00 H new ATOM 599 N LYS A 42 -12.189 -12.616 -1.480 1.00 0.00 N ATOM 600 CA LYS A 42 -13.025 -13.716 -1.029 1.00 0.00 C ATOM 601 C LYS A 42 -12.536 -15.017 -1.670 1.00 0.00 C ATOM 602 O LYS A 42 -12.524 -15.145 -2.893 1.00 0.00 O ATOM 603 CB LYS A 42 -14.500 -13.414 -1.299 1.00 0.00 C ATOM 604 CG LYS A 42 -14.951 -12.163 -0.542 1.00 0.00 C ATOM 605 CD LYS A 42 -15.242 -12.485 0.925 1.00 0.00 C ATOM 606 CE LYS A 42 -16.724 -12.808 1.132 1.00 0.00 C ATOM 607 NZ LYS A 42 -16.936 -13.447 2.450 1.00 0.00 N ATOM 0 H LYS A 42 -12.499 -12.171 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.942 -13.840 0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.656 -13.272 -2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.110 -14.265 -0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.177 -11.398 -0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.844 -11.752 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.634 -13.332 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.960 -11.638 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.314 -11.894 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.072 -13.471 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.946 -13.659 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.388 -14.329 2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.623 -12.802 3.203 1.00 0.00 H new ATOM 621 N ALA A 43 -12.145 -15.950 -0.814 1.00 0.00 N ATOM 622 CA ALA A 43 -11.657 -17.237 -1.281 1.00 0.00 C ATOM 623 C ALA A 43 -12.753 -17.929 -2.093 1.00 0.00 C ATOM 624 O ALA A 43 -13.936 -17.799 -1.782 1.00 0.00 O ATOM 625 CB ALA A 43 -11.200 -18.074 -0.085 1.00 0.00 C ATOM 0 H ALA A 43 -12.156 -15.840 0.200 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.795 -17.106 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.834 -19.039 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.401 -17.552 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.039 -18.228 0.593 1.00 0.00 H new ATOM 677 N GLU A 47 -11.454 -23.033 -1.507 1.00 0.00 N ATOM 678 CA GLU A 47 -10.305 -22.182 -1.249 1.00 0.00 C ATOM 679 C GLU A 47 -10.334 -21.673 0.194 1.00 0.00 C ATOM 680 O GLU A 47 -11.398 -21.595 0.806 1.00 0.00 O ATOM 681 CB GLU A 47 -10.250 -21.018 -2.240 1.00 0.00 C ATOM 682 CG GLU A 47 -9.613 -21.452 -3.561 1.00 0.00 C ATOM 683 CD GLU A 47 -10.212 -22.772 -4.051 1.00 0.00 C ATOM 684 OE1 GLU A 47 -9.947 -23.796 -3.385 1.00 0.00 O ATOM 685 OE2 GLU A 47 -10.920 -22.727 -5.080 1.00 0.00 O ATOM 0 HA GLU A 47 -9.401 -22.775 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.257 -20.644 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.678 -20.196 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.765 -20.678 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.537 -21.563 -3.431 1.00 0.00 H new ATOM 692 N SER A 48 -9.154 -21.340 0.695 1.00 0.00 N ATOM 693 CA SER A 48 -9.031 -20.841 2.054 1.00 0.00 C ATOM 694 C SER A 48 -9.199 -19.320 2.070 1.00 0.00 C ATOM 695 O SER A 48 -8.529 -18.611 1.320 1.00 0.00 O ATOM 696 CB SER A 48 -7.685 -21.233 2.665 1.00 0.00 C ATOM 697 OG SER A 48 -7.822 -22.259 3.646 1.00 0.00 O ATOM 0 H SER A 48 -8.274 -21.406 0.184 1.00 0.00 H new ATOM 0 HA SER A 48 -9.818 -21.293 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.014 -21.573 1.876 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.224 -20.356 3.120 1.00 0.00 H new ATOM 0 HG SER A 48 -6.940 -22.482 4.011 1.00 0.00 H new ATOM 703 N GLU A 49 -10.095 -18.865 2.932 1.00 0.00 N ATOM 704 CA GLU A 49 -10.359 -17.441 3.056 1.00 0.00 C ATOM 705 C GLU A 49 -9.066 -16.688 3.376 1.00 0.00 C ATOM 706 O GLU A 49 -8.085 -17.289 3.810 1.00 0.00 O ATOM 707 CB GLU A 49 -11.428 -17.171 4.117 1.00 0.00 C ATOM 708 CG GLU A 49 -10.835 -17.254 5.525 1.00 0.00 C ATOM 709 CD GLU A 49 -11.851 -17.829 6.514 1.00 0.00 C ATOM 710 OE1 GLU A 49 -11.953 -19.074 6.564 1.00 0.00 O ATOM 711 OE2 GLU A 49 -12.503 -17.010 7.198 1.00 0.00 O ATOM 0 H GLU A 49 -10.648 -19.457 3.552 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.742 -17.078 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.862 -16.184 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.237 -17.894 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.942 -17.879 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.525 -16.262 5.852 1.00 0.00 H new ATOM 718 N VAL A 50 -9.108 -15.383 3.149 1.00 0.00 N ATOM 719 CA VAL A 50 -7.952 -14.541 3.408 1.00 0.00 C ATOM 720 C VAL A 50 -7.908 -14.186 4.895 1.00 0.00 C ATOM 721 O VAL A 50 -8.767 -13.456 5.388 1.00 0.00 O ATOM 722 CB VAL A 50 -7.987 -13.311 2.499 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.871 -12.329 2.863 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.904 -13.714 1.026 1.00 0.00 C ATOM 0 H VAL A 50 -9.924 -14.888 2.789 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.030 -15.074 3.175 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.941 -12.807 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.918 -11.464 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.995 -12.004 3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.904 -12.819 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.931 -12.821 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.973 -14.253 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.749 -14.356 0.776 1.00 0.00 H new ATOM 734 N THR A 51 -6.899 -14.718 5.569 1.00 0.00 N ATOM 735 CA THR A 51 -6.732 -14.466 6.990 1.00 0.00 C ATOM 736 C THR A 51 -5.807 -13.267 7.214 1.00 0.00 C ATOM 737 O THR A 51 -5.588 -12.851 8.351 1.00 0.00 O ATOM 738 CB THR A 51 -6.226 -15.754 7.642 1.00 0.00 C ATOM 739 OG1 THR A 51 -5.077 -16.104 6.875 1.00 0.00 O ATOM 740 CG2 THR A 51 -7.183 -16.929 7.437 1.00 0.00 C ATOM 0 H THR A 51 -6.189 -15.323 5.157 1.00 0.00 H new ATOM 0 HA THR A 51 -7.679 -14.198 7.458 1.00 0.00 H new ATOM 0 HB THR A 51 -6.080 -15.587 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.685 -16.928 7.231 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.776 -17.818 7.919 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.152 -16.690 7.875 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.304 -17.118 6.370 1.00 0.00 H new ATOM 748 N GLY A 52 -5.290 -12.746 6.111 1.00 0.00 N ATOM 749 CA GLY A 52 -4.394 -11.603 6.173 1.00 0.00 C ATOM 750 C GLY A 52 -3.773 -11.318 4.804 1.00 0.00 C ATOM 751 O GLY A 52 -4.119 -11.964 3.815 1.00 0.00 O ATOM 0 H GLY A 52 -5.474 -13.094 5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.941 -10.726 6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.606 -11.793 6.901 1.00 0.00 H new ATOM 755 N TYR A 53 -2.868 -10.351 4.790 1.00 0.00 N ATOM 756 CA TYR A 53 -2.197 -9.972 3.558 1.00 0.00 C ATOM 757 C TYR A 53 -0.719 -9.668 3.811 1.00 0.00 C ATOM 758 O TYR A 53 -0.311 -9.454 4.951 1.00 0.00 O ATOM 759 CB TYR A 53 -2.891 -8.699 3.073 1.00 0.00 C ATOM 760 CG TYR A 53 -4.243 -8.945 2.399 1.00 0.00 C ATOM 761 CD1 TYR A 53 -4.294 -9.310 1.069 1.00 0.00 C ATOM 762 CD2 TYR A 53 -5.410 -8.802 3.121 1.00 0.00 C ATOM 763 CE1 TYR A 53 -5.566 -9.541 0.435 1.00 0.00 C ATOM 764 CE2 TYR A 53 -6.682 -9.034 2.487 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.697 -9.392 1.175 1.00 0.00 C ATOM 766 OH TYR A 53 -7.899 -9.611 0.577 1.00 0.00 O ATOM 0 H TYR A 53 -2.583 -9.818 5.612 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.250 -10.780 2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.036 -8.031 3.922 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.235 -8.185 2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.380 -9.422 0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.370 -8.516 4.162 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.621 -9.826 -0.605 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.603 -8.926 3.041 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.009 -8.990 -0.173 1.00 0.00 H new ATOM 776 N LYS A 54 0.044 -9.659 2.727 1.00 0.00 N ATOM 777 CA LYS A 54 1.468 -9.385 2.818 1.00 0.00 C ATOM 778 C LYS A 54 1.806 -8.171 1.949 1.00 0.00 C ATOM 779 O LYS A 54 1.632 -8.207 0.732 1.00 0.00 O ATOM 780 CB LYS A 54 2.278 -10.635 2.467 1.00 0.00 C ATOM 781 CG LYS A 54 2.237 -11.653 3.609 1.00 0.00 C ATOM 782 CD LYS A 54 3.370 -12.673 3.476 1.00 0.00 C ATOM 783 CE LYS A 54 3.760 -13.240 4.842 1.00 0.00 C ATOM 784 NZ LYS A 54 5.219 -13.481 4.905 1.00 0.00 N ATOM 0 H LYS A 54 -0.297 -9.837 1.782 1.00 0.00 H new ATOM 0 HA LYS A 54 1.742 -9.132 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.881 -11.087 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.311 -10.357 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.319 -11.136 4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.277 -12.169 3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.059 -13.484 2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.237 -12.201 3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.466 -12.545 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.223 -14.171 5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.396 -14.467 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.640 -13.306 3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.647 -12.840 5.603 1.00 0.00 H new ATOM 798 N VAL A 55 2.282 -7.126 2.609 1.00 0.00 N ATOM 799 CA VAL A 55 2.645 -5.903 1.913 1.00 0.00 C ATOM 800 C VAL A 55 4.109 -5.985 1.477 1.00 0.00 C ATOM 801 O VAL A 55 5.010 -6.006 2.314 1.00 0.00 O ATOM 802 CB VAL A 55 2.352 -4.690 2.799 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.649 -3.385 2.056 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.909 -4.717 3.305 1.00 0.00 C ATOM 0 H VAL A 55 2.425 -7.101 3.619 1.00 0.00 H new ATOM 0 HA VAL A 55 2.044 -5.783 1.012 1.00 0.00 H new ATOM 0 HB VAL A 55 3.011 -4.740 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.433 -2.538 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.700 -3.362 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.026 -3.325 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.727 -3.844 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.225 -4.703 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.745 -5.623 3.888 1.00 0.00 H new ATOM 814 N PHE A 56 4.301 -6.030 0.167 1.00 0.00 N ATOM 815 CA PHE A 56 5.640 -6.110 -0.391 1.00 0.00 C ATOM 816 C PHE A 56 6.070 -4.764 -0.979 1.00 0.00 C ATOM 817 O PHE A 56 5.665 -4.407 -2.083 1.00 0.00 O ATOM 818 CB PHE A 56 5.597 -7.152 -1.511 1.00 0.00 C ATOM 819 CG PHE A 56 5.536 -8.597 -1.014 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.360 -9.113 -0.567 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.658 -9.366 -1.019 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.303 -10.455 -0.106 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.601 -10.708 -0.558 1.00 0.00 C ATOM 824 CZ PHE A 56 5.425 -11.224 -0.111 1.00 0.00 C ATOM 0 H PHE A 56 3.551 -6.013 -0.524 1.00 0.00 H new ATOM 0 HA PHE A 56 6.352 -6.380 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.729 -6.958 -2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.479 -7.032 -2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.469 -8.502 -0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.592 -8.956 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.369 -10.865 0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.492 -11.319 -0.562 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.382 -12.244 0.240 1.00 0.00 H new ATOM 834 N TYR A 57 6.886 -4.054 -0.213 1.00 0.00 N ATOM 835 CA TYR A 57 7.376 -2.756 -0.644 1.00 0.00 C ATOM 836 C TYR A 57 8.864 -2.819 -0.992 1.00 0.00 C ATOM 837 O TYR A 57 9.651 -3.420 -0.262 1.00 0.00 O ATOM 838 CB TYR A 57 7.182 -1.816 0.547 1.00 0.00 C ATOM 839 CG TYR A 57 7.661 -2.394 1.880 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.820 -3.194 2.627 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.933 -2.115 2.337 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.270 -3.739 3.881 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.383 -2.660 3.592 1.00 0.00 C ATOM 844 CZ TYR A 57 8.529 -3.445 4.302 1.00 0.00 C ATOM 845 OH TYR A 57 8.954 -3.959 5.487 1.00 0.00 O ATOM 0 H TYR A 57 7.220 -4.353 0.703 1.00 0.00 H new ATOM 0 HA TYR A 57 6.842 -2.420 -1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.716 -0.886 0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.125 -1.565 0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.824 -3.411 2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.591 -1.488 1.754 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.622 -4.367 4.474 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.376 -2.450 3.961 1.00 0.00 H new ATOM 0 HH TYR A 57 9.873 -3.666 5.660 1.00 0.00 H new ATOM 855 N ARG A 58 9.206 -2.191 -2.108 1.00 0.00 N ATOM 856 CA ARG A 58 10.586 -2.168 -2.561 1.00 0.00 C ATOM 857 C ARG A 58 10.843 -0.926 -3.417 1.00 0.00 C ATOM 858 O ARG A 58 9.998 -0.536 -4.221 1.00 0.00 O ATOM 859 CB ARG A 58 10.918 -3.419 -3.377 1.00 0.00 C ATOM 860 CG ARG A 58 9.743 -3.817 -4.273 1.00 0.00 C ATOM 861 CD ARG A 58 10.225 -4.616 -5.486 1.00 0.00 C ATOM 862 NE ARG A 58 10.572 -3.697 -6.593 1.00 0.00 N ATOM 863 CZ ARG A 58 11.026 -4.098 -7.788 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.192 -5.404 -8.038 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.315 -3.192 -8.732 1.00 0.00 N ATOM 0 H ARG A 58 8.551 -1.694 -2.712 1.00 0.00 H new ATOM 0 HA ARG A 58 11.225 -2.143 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.801 -3.234 -3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.162 -4.242 -2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.030 -4.411 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.217 -2.923 -4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.094 -5.216 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.447 -5.309 -5.808 1.00 0.00 H new ATOM 0 HE ARG A 58 10.458 -2.696 -6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.973 -6.093 -7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.538 -5.709 -8.948 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.189 -2.198 -8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.661 -3.496 -9.642 1.00 0.00 H new ATOM 879 N THR A 59 12.013 -0.338 -3.214 1.00 0.00 N ATOM 880 CA THR A 59 12.392 0.851 -3.957 1.00 0.00 C ATOM 881 C THR A 59 12.332 0.582 -5.462 1.00 0.00 C ATOM 882 O THR A 59 12.236 -0.568 -5.887 1.00 0.00 O ATOM 883 CB THR A 59 13.776 1.290 -3.473 1.00 0.00 C ATOM 884 OG1 THR A 59 14.462 0.066 -3.228 1.00 0.00 O ATOM 885 CG2 THR A 59 13.728 1.971 -2.104 1.00 0.00 C ATOM 0 H THR A 59 12.711 -0.663 -2.545 1.00 0.00 H new ATOM 0 HA THR A 59 11.694 1.669 -3.777 1.00 0.00 H new ATOM 0 HB THR A 59 14.217 1.970 -4.202 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.370 0.257 -2.912 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.735 2.263 -1.807 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.095 2.857 -2.160 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.319 1.279 -1.368 1.00 0.00 H new ATOM 893 N SER A 60 12.391 1.662 -6.227 1.00 0.00 N ATOM 894 CA SER A 60 12.345 1.557 -7.675 1.00 0.00 C ATOM 895 C SER A 60 13.336 0.495 -8.155 1.00 0.00 C ATOM 896 O SER A 60 12.994 -0.349 -8.982 1.00 0.00 O ATOM 897 CB SER A 60 12.650 2.904 -8.335 1.00 0.00 C ATOM 898 OG SER A 60 13.923 2.908 -8.976 1.00 0.00 O ATOM 0 H SER A 60 12.470 2.615 -5.871 1.00 0.00 H new ATOM 0 HA SER A 60 11.337 1.261 -7.964 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.875 3.133 -9.066 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.621 3.692 -7.582 1.00 0.00 H new ATOM 0 HG SER A 60 14.080 3.784 -9.386 1.00 0.00 H new ATOM 960 N VAL A 65 12.612 -7.540 -2.164 1.00 0.00 N ATOM 961 CA VAL A 65 11.529 -6.781 -1.562 1.00 0.00 C ATOM 962 C VAL A 65 11.265 -7.309 -0.151 1.00 0.00 C ATOM 963 O VAL A 65 11.574 -8.460 0.153 1.00 0.00 O ATOM 964 CB VAL A 65 10.292 -6.834 -2.461 1.00 0.00 C ATOM 965 CG1 VAL A 65 9.822 -8.276 -2.664 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.166 -5.965 -1.896 1.00 0.00 C ATOM 0 HA VAL A 65 11.804 -5.730 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 65 10.569 -6.432 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.942 -8.285 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.618 -8.856 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.571 -8.716 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.299 -6.020 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.892 -6.324 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.504 -4.931 -1.827 1.00 0.00 H new ATOM 976 N GLN A 66 10.697 -6.442 0.674 1.00 0.00 N ATOM 977 CA GLN A 66 10.388 -6.806 2.047 1.00 0.00 C ATOM 978 C GLN A 66 8.927 -7.245 2.164 1.00 0.00 C ATOM 979 O GLN A 66 8.188 -7.221 1.181 1.00 0.00 O ATOM 980 CB GLN A 66 10.692 -5.650 3.002 1.00 0.00 C ATOM 981 CG GLN A 66 12.066 -5.823 3.652 1.00 0.00 C ATOM 982 CD GLN A 66 12.020 -6.874 4.763 1.00 0.00 C ATOM 983 OE1 GLN A 66 11.686 -8.027 4.548 1.00 0.00 O ATOM 984 NE2 GLN A 66 12.372 -6.412 5.959 1.00 0.00 N ATOM 0 H GLN A 66 10.442 -5.488 0.418 1.00 0.00 H new ATOM 0 HA GLN A 66 11.023 -7.645 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.659 -4.706 2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.924 -5.600 3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.794 -6.119 2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.401 -4.870 4.062 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.641 -5.434 6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.373 -7.035 6.766 1.00 0.00 H new ATOM 993 N VAL A 67 8.555 -7.635 3.374 1.00 0.00 N ATOM 994 CA VAL A 67 7.195 -8.078 3.632 1.00 0.00 C ATOM 995 C VAL A 67 6.710 -7.477 4.953 1.00 0.00 C ATOM 996 O VAL A 67 7.509 -7.214 5.850 1.00 0.00 O ATOM 997 CB VAL A 67 7.130 -9.606 3.610 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.864 -10.111 4.304 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.221 -10.139 2.179 1.00 0.00 C ATOM 0 H VAL A 67 9.171 -7.654 4.187 1.00 0.00 H new ATOM 0 HA VAL A 67 6.523 -7.726 2.849 1.00 0.00 H new ATOM 0 HB VAL A 67 7.989 -9.985 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.843 -11.200 4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.859 -9.776 5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.986 -9.717 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.172 -11.228 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.392 -9.746 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.164 -9.823 1.732 1.00 0.00 H new ATOM 1009 N LEU A 68 5.402 -7.279 5.030 1.00 0.00 N ATOM 1010 CA LEU A 68 4.800 -6.714 6.226 1.00 0.00 C ATOM 1011 C LEU A 68 3.506 -7.465 6.544 1.00 0.00 C ATOM 1012 O LEU A 68 2.633 -7.596 5.686 1.00 0.00 O ATOM 1013 CB LEU A 68 4.613 -5.204 6.070 1.00 0.00 C ATOM 1014 CG LEU A 68 3.410 -4.599 6.796 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.745 -3.213 7.352 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.179 -4.569 5.887 1.00 0.00 C ATOM 0 H LEU A 68 4.742 -7.500 4.284 1.00 0.00 H new ATOM 0 HA LEU A 68 5.462 -6.842 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.515 -4.707 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.523 -4.977 5.008 1.00 0.00 H new ATOM 0 HG LEU A 68 3.168 -5.237 7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.873 -2.805 7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.573 -3.294 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.028 -2.551 6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.338 -4.134 6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.393 -3.967 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.928 -5.585 5.581 1.00 0.00 H new ATOM 1028 N ASN A 69 3.421 -7.939 7.778 1.00 0.00 N ATOM 1029 CA ASN A 69 2.248 -8.673 8.219 1.00 0.00 C ATOM 1030 C ASN A 69 1.107 -7.689 8.489 1.00 0.00 C ATOM 1031 O ASN A 69 1.316 -6.647 9.108 1.00 0.00 O ATOM 1032 CB ASN A 69 2.530 -9.437 9.515 1.00 0.00 C ATOM 1033 CG ASN A 69 2.444 -10.948 9.291 1.00 0.00 C ATOM 1034 OD1 ASN A 69 1.437 -11.584 9.556 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.553 -11.484 8.789 1.00 0.00 N ATOM 0 H ASN A 69 4.146 -7.829 8.487 1.00 0.00 H new ATOM 0 HA ASN A 69 1.979 -9.381 7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.521 -9.177 9.886 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.814 -9.138 10.281 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.596 -12.486 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.360 -10.893 8.590 1.00 0.00 H new ATOM 1042 N THR A 70 -0.073 -8.056 8.012 1.00 0.00 N ATOM 1043 CA THR A 70 -1.246 -7.218 8.194 1.00 0.00 C ATOM 1044 C THR A 70 -2.519 -8.065 8.142 1.00 0.00 C ATOM 1045 O THR A 70 -2.759 -8.773 7.166 1.00 0.00 O ATOM 1046 CB THR A 70 -1.208 -6.114 7.136 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.563 -5.684 7.033 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.881 -6.651 5.741 1.00 0.00 C ATOM 0 H THR A 70 -0.242 -8.922 7.500 1.00 0.00 H new ATOM 0 HA THR A 70 -1.246 -6.746 9.177 1.00 0.00 H new ATOM 0 HB THR A 70 -0.468 -5.365 7.420 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.591 -4.777 6.662 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.867 -5.827 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.096 -7.134 5.757 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.639 -7.375 5.443 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.302 -7.965 9.207 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.545 -8.713 9.295 1.00 0.00 C ATOM 1058 C ASN A 71 -5.708 -7.813 8.873 1.00 0.00 C ATOM 1059 O ASN A 71 -6.859 -8.079 9.216 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.805 -9.181 10.728 1.00 0.00 C ATOM 1061 CG ASN A 71 -4.727 -8.011 11.710 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -4.530 -6.866 11.337 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -4.893 -8.360 12.983 1.00 0.00 N ATOM 0 H ASN A 71 -3.100 -7.377 10.016 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.463 -9.581 8.641 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.789 -9.647 10.789 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.074 -9.941 11.004 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.859 -7.650 13.715 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.054 -9.337 13.227 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.367 -6.767 8.135 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.369 -5.826 7.663 1.00 0.00 C ATOM 1072 C LYS A 72 -6.203 -5.625 6.155 1.00 0.00 C ATOM 1073 O LYS A 72 -5.223 -6.082 5.569 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.305 -4.526 8.468 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.878 -4.245 8.942 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.626 -2.740 9.061 1.00 0.00 C ATOM 1077 CE LYS A 72 -4.043 -2.388 10.431 1.00 0.00 C ATOM 1078 NZ LYS A 72 -2.616 -2.775 10.502 1.00 0.00 N ATOM 0 H LYS A 72 -4.411 -6.550 7.852 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.371 -6.224 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.658 -3.697 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.971 -4.593 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.711 -4.723 9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.166 -4.682 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.940 -2.419 8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.560 -2.198 8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.145 -1.318 10.612 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.604 -2.899 11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.236 -2.529 11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.526 -3.800 10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.082 -2.268 9.768 1.00 0.00 H new ATOM 1092 N THR A 73 -7.175 -4.941 5.571 1.00 0.00 N ATOM 1093 CA THR A 73 -7.149 -4.673 4.143 1.00 0.00 C ATOM 1094 C THR A 73 -6.364 -3.393 3.855 1.00 0.00 C ATOM 1095 O THR A 73 -6.448 -2.842 2.758 1.00 0.00 O ATOM 1096 CB THR A 73 -8.595 -4.625 3.645 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.338 -4.182 4.777 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.159 -6.016 3.349 1.00 0.00 C ATOM 0 H THR A 73 -7.986 -4.564 6.061 1.00 0.00 H new ATOM 0 HA THR A 73 -6.630 -5.463 3.601 1.00 0.00 H new ATOM 0 HB THR A 73 -8.648 -4.013 2.745 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.287 -4.121 4.542 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.187 -5.925 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.555 -6.497 2.580 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.137 -6.618 4.257 1.00 0.00 H new ATOM 1106 N SER A 74 -5.617 -2.956 4.858 1.00 0.00 N ATOM 1107 CA SER A 74 -4.816 -1.750 4.726 1.00 0.00 C ATOM 1108 C SER A 74 -3.454 -1.951 5.392 1.00 0.00 C ATOM 1109 O SER A 74 -3.188 -3.007 5.964 1.00 0.00 O ATOM 1110 CB SER A 74 -5.533 -0.544 5.337 1.00 0.00 C ATOM 1111 OG SER A 74 -6.661 -0.145 4.563 1.00 0.00 O ATOM 0 H SER A 74 -5.549 -3.415 5.766 1.00 0.00 H new ATOM 0 HA SER A 74 -4.668 -1.552 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.856 -0.789 6.349 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.836 0.290 5.418 1.00 0.00 H new ATOM 0 HG SER A 74 -7.092 0.626 4.987 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.626 -0.921 5.295 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.297 -0.972 5.880 1.00 0.00 C ATOM 1119 C ALA A 75 -0.745 0.450 6.005 1.00 0.00 C ATOM 1120 O ALA A 75 -1.402 1.412 5.609 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.398 -1.873 5.031 1.00 0.00 C ATOM 0 H ALA A 75 -2.850 -0.046 4.820 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.335 -1.401 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.599 -1.911 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.818 -2.878 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.333 -1.473 4.019 1.00 0.00 H new ATOM 1127 N GLU A 76 0.456 0.538 6.558 1.00 0.00 N ATOM 1128 CA GLU A 76 1.103 1.826 6.740 1.00 0.00 C ATOM 1129 C GLU A 76 2.622 1.677 6.632 1.00 0.00 C ATOM 1130 O GLU A 76 3.237 0.965 7.424 1.00 0.00 O ATOM 1131 CB GLU A 76 0.708 2.454 8.078 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.747 2.928 8.053 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.209 3.352 9.448 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.999 4.539 9.779 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.762 2.480 10.152 1.00 0.00 O ATOM 0 H GLU A 76 0.998 -0.262 6.886 1.00 0.00 H new ATOM 0 HA GLU A 76 0.766 2.495 5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.844 1.727 8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.365 3.296 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.849 3.765 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.388 2.128 7.681 1.00 0.00 H new ATOM 1142 N LEU A 77 3.183 2.360 5.645 1.00 0.00 N ATOM 1143 CA LEU A 77 4.618 2.312 5.423 1.00 0.00 C ATOM 1144 C LEU A 77 5.207 3.711 5.618 1.00 0.00 C ATOM 1145 O LEU A 77 4.487 4.649 5.956 1.00 0.00 O ATOM 1146 CB LEU A 77 4.929 1.699 4.056 1.00 0.00 C ATOM 1147 CG LEU A 77 4.462 0.257 3.846 1.00 0.00 C ATOM 1148 CD1 LEU A 77 4.218 -0.029 2.363 1.00 0.00 C ATOM 1149 CD2 LEU A 77 5.447 -0.735 4.467 1.00 0.00 C ATOM 0 H LEU A 77 2.670 2.950 4.990 1.00 0.00 H new ATOM 0 HA LEU A 77 5.095 1.660 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.473 2.323 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.007 1.737 3.899 1.00 0.00 H new ATOM 0 HG LEU A 77 3.510 0.128 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.887 -1.060 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.450 0.646 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.142 0.124 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.091 -1.752 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.426 -0.614 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.527 -0.547 5.538 1.00 0.00 H new ATOM 1161 N VAL A 78 6.510 3.806 5.395 1.00 0.00 N ATOM 1162 CA VAL A 78 7.203 5.074 5.542 1.00 0.00 C ATOM 1163 C VAL A 78 7.392 5.710 4.163 1.00 0.00 C ATOM 1164 O VAL A 78 7.450 5.008 3.155 1.00 0.00 O ATOM 1165 CB VAL A 78 8.521 4.866 6.290 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.270 4.548 7.766 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.360 3.771 5.629 1.00 0.00 C ATOM 0 H VAL A 78 7.103 3.025 5.114 1.00 0.00 H new ATOM 0 HA VAL A 78 6.611 5.766 6.141 1.00 0.00 H new ATOM 0 HB VAL A 78 9.085 5.797 6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.223 4.405 8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.732 5.375 8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.676 3.638 7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.291 3.643 6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.804 2.834 5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.583 4.055 4.601 1.00 0.00 H new ATOM 1177 N LEU A 79 7.483 7.032 4.164 1.00 0.00 N ATOM 1178 CA LEU A 79 7.665 7.770 2.926 1.00 0.00 C ATOM 1179 C LEU A 79 8.992 7.361 2.283 1.00 0.00 C ATOM 1180 O LEU A 79 9.975 7.118 2.981 1.00 0.00 O ATOM 1181 CB LEU A 79 7.540 9.274 3.175 1.00 0.00 C ATOM 1182 CG LEU A 79 8.462 9.854 4.250 1.00 0.00 C ATOM 1183 CD1 LEU A 79 9.909 9.910 3.759 1.00 0.00 C ATOM 1184 CD2 LEU A 79 7.962 11.222 4.720 1.00 0.00 C ATOM 0 H LEU A 79 7.434 7.611 5.002 1.00 0.00 H new ATOM 0 HA LEU A 79 6.877 7.522 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.735 9.795 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.509 9.492 3.453 1.00 0.00 H new ATOM 0 HG LEU A 79 8.441 9.189 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.543 10.326 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.249 8.904 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.968 10.540 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.635 11.612 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.935 11.910 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.960 11.120 5.137 1.00 0.00 H new ATOM 1196 N PRO A 80 8.976 7.296 0.925 1.00 0.00 N ATOM 1197 CA PRO A 80 10.166 6.920 0.180 1.00 0.00 C ATOM 1198 C PRO A 80 11.177 8.068 0.148 1.00 0.00 C ATOM 1199 O PRO A 80 10.811 9.216 -0.100 1.00 0.00 O ATOM 1200 CB PRO A 80 9.661 6.535 -1.201 1.00 0.00 C ATOM 1201 CG PRO A 80 8.276 7.149 -1.324 1.00 0.00 C ATOM 1202 CD PRO A 80 7.830 7.576 0.065 1.00 0.00 C ATOM 0 HA PRO A 80 10.704 6.090 0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.326 6.911 -1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.619 5.452 -1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.297 8.005 -1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.575 6.428 -1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.566 8.633 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.949 7.020 0.386 1.00 0.00 H new ATOM 1210 N ILE A 81 12.430 7.718 0.401 1.00 0.00 N ATOM 1211 CA ILE A 81 13.497 8.705 0.405 1.00 0.00 C ATOM 1212 C ILE A 81 13.917 8.999 -1.037 1.00 0.00 C ATOM 1213 O ILE A 81 13.726 10.110 -1.528 1.00 0.00 O ATOM 1214 CB ILE A 81 14.649 8.245 1.300 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.147 7.894 2.702 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.766 9.289 1.335 1.00 0.00 C ATOM 1217 CD1 ILE A 81 13.632 6.455 2.756 1.00 0.00 C ATOM 0 H ILE A 81 12.730 6.765 0.605 1.00 0.00 H new ATOM 0 HA ILE A 81 13.147 9.644 0.834 1.00 0.00 H new ATOM 0 HB ILE A 81 15.072 7.336 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 81 14.954 8.023 3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.350 8.580 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.573 8.937 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.148 9.447 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.374 10.228 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.281 6.232 3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.809 6.336 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.438 5.770 2.492 1.00 0.00 H new ATOM 1229 N LYS A 82 14.482 7.984 -1.674 1.00 0.00 N ATOM 1230 CA LYS A 82 14.932 8.120 -3.048 1.00 0.00 C ATOM 1231 C LYS A 82 14.401 6.945 -3.873 1.00 0.00 C ATOM 1232 O LYS A 82 14.079 5.893 -3.324 1.00 0.00 O ATOM 1233 CB LYS A 82 16.453 8.271 -3.102 1.00 0.00 C ATOM 1234 CG LYS A 82 16.853 9.738 -3.281 1.00 0.00 C ATOM 1235 CD LYS A 82 17.873 10.161 -2.222 1.00 0.00 C ATOM 1236 CE LYS A 82 17.958 11.685 -2.121 1.00 0.00 C ATOM 1237 NZ LYS A 82 18.304 12.094 -0.742 1.00 0.00 N ATOM 0 H LYS A 82 14.638 7.064 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 82 14.529 9.030 -3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.894 7.880 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.852 7.679 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.274 9.885 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.968 10.371 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.593 9.744 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.853 9.754 -2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.708 12.060 -2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.005 12.128 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.358 13.131 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.574 11.752 -0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.224 11.686 -0.480 1.00 0.00 H new ATOM 1251 N GLU A 83 14.326 7.165 -5.177 1.00 0.00 N ATOM 1252 CA GLU A 83 13.840 6.138 -6.082 1.00 0.00 C ATOM 1253 C GLU A 83 12.384 5.794 -5.762 1.00 0.00 C ATOM 1254 O GLU A 83 12.006 5.705 -4.595 1.00 0.00 O ATOM 1255 CB GLU A 83 14.724 4.891 -6.022 1.00 0.00 C ATOM 1256 CG GLU A 83 15.968 5.057 -6.898 1.00 0.00 C ATOM 1257 CD GLU A 83 17.239 4.725 -6.114 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.256 5.034 -4.903 1.00 0.00 O ATOM 1259 OE2 GLU A 83 18.166 4.171 -6.744 1.00 0.00 O ATOM 0 H GLU A 83 14.594 8.040 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 83 13.886 6.527 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.024 4.703 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.156 4.022 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.893 4.406 -7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.022 6.081 -7.269 1.00 0.00 H new ATOM 1266 N ASP A 84 11.607 5.609 -6.819 1.00 0.00 N ATOM 1267 CA ASP A 84 10.201 5.277 -6.664 1.00 0.00 C ATOM 1268 C ASP A 84 10.060 4.122 -5.670 1.00 0.00 C ATOM 1269 O ASP A 84 11.058 3.555 -5.227 1.00 0.00 O ATOM 1270 CB ASP A 84 9.590 4.832 -7.995 1.00 0.00 C ATOM 1271 CG ASP A 84 8.968 5.954 -8.828 1.00 0.00 C ATOM 1272 OD1 ASP A 84 7.785 6.265 -8.567 1.00 0.00 O ATOM 1273 OD2 ASP A 84 9.688 6.476 -9.706 1.00 0.00 O ATOM 0 H ASP A 84 11.924 5.683 -7.786 1.00 0.00 H new ATOM 0 HA ASP A 84 9.682 6.167 -6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.364 4.346 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.825 4.082 -7.794 1.00 0.00 H new ATOM 1278 N TYR A 85 8.814 3.807 -5.350 1.00 0.00 N ATOM 1279 CA TYR A 85 8.530 2.730 -4.417 1.00 0.00 C ATOM 1280 C TYR A 85 7.510 1.752 -5.002 1.00 0.00 C ATOM 1281 O TYR A 85 6.391 2.140 -5.335 1.00 0.00 O ATOM 1282 CB TYR A 85 7.928 3.394 -3.177 1.00 0.00 C ATOM 1283 CG TYR A 85 8.422 2.806 -1.854 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.755 2.485 -1.697 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.536 2.597 -0.817 1.00 0.00 C ATOM 1286 CE1 TYR A 85 10.221 1.931 -0.452 1.00 0.00 C ATOM 1287 CE2 TYR A 85 8.001 2.043 0.428 1.00 0.00 C ATOM 1288 CZ TYR A 85 9.321 1.738 0.549 1.00 0.00 C ATOM 1289 OH TYR A 85 9.760 1.215 1.725 1.00 0.00 O ATOM 0 H TYR A 85 7.989 4.279 -5.720 1.00 0.00 H new ATOM 0 HA TYR A 85 9.437 2.168 -4.192 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.160 4.459 -3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.843 3.304 -3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.449 2.649 -2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.493 2.849 -0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.261 1.675 -0.316 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.317 1.874 1.247 1.00 0.00 H new ATOM 0 HH TYR A 85 9.008 1.134 2.348 1.00 0.00 H new ATOM 1299 N ILE A 86 7.933 0.501 -5.111 1.00 0.00 N ATOM 1300 CA ILE A 86 7.071 -0.536 -5.651 1.00 0.00 C ATOM 1301 C ILE A 86 6.455 -1.332 -4.499 1.00 0.00 C ATOM 1302 O ILE A 86 7.161 -2.037 -3.779 1.00 0.00 O ATOM 1303 CB ILE A 86 7.836 -1.400 -6.656 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.047 -0.652 -7.973 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.137 -2.745 -6.866 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.425 0.809 -7.719 1.00 0.00 C ATOM 0 H ILE A 86 8.862 0.182 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 86 6.247 -0.093 -6.210 1.00 0.00 H new ATOM 0 HB ILE A 86 8.823 -1.611 -6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.832 -1.140 -8.551 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.137 -0.697 -8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.701 -3.340 -7.585 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.082 -3.279 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.130 -2.576 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.569 1.318 -8.672 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.627 1.300 -7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.349 0.851 -7.142 1.00 0.00 H new ATOM 1318 N ILE A 87 5.144 -1.194 -4.360 1.00 0.00 N ATOM 1319 CA ILE A 87 4.425 -1.891 -3.307 1.00 0.00 C ATOM 1320 C ILE A 87 3.576 -3.003 -3.926 1.00 0.00 C ATOM 1321 O ILE A 87 3.031 -2.839 -5.017 1.00 0.00 O ATOM 1322 CB ILE A 87 3.622 -0.902 -2.461 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.368 0.426 -2.313 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.259 -1.510 -1.105 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.990 1.124 -1.005 1.00 0.00 C ATOM 0 H ILE A 87 4.561 -0.610 -4.959 1.00 0.00 H new ATOM 0 HA ILE A 87 5.124 -2.368 -2.619 1.00 0.00 H new ATOM 0 HB ILE A 87 2.687 -0.689 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.443 0.248 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.134 1.075 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.688 -0.786 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.659 -2.407 -1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.171 -1.770 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.534 2.065 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.918 1.322 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.248 0.482 -0.162 1.00 0.00 H new ATOM 1337 N GLU A 88 3.489 -4.110 -3.203 1.00 0.00 N ATOM 1338 CA GLU A 88 2.715 -5.249 -3.668 1.00 0.00 C ATOM 1339 C GLU A 88 1.910 -5.849 -2.514 1.00 0.00 C ATOM 1340 O GLU A 88 2.445 -6.072 -1.429 1.00 0.00 O ATOM 1341 CB GLU A 88 3.620 -6.301 -4.311 1.00 0.00 C ATOM 1342 CG GLU A 88 3.643 -6.148 -5.833 1.00 0.00 C ATOM 1343 CD GLU A 88 3.398 -7.492 -6.523 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.223 -8.403 -6.299 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.391 -7.577 -7.259 1.00 0.00 O ATOM 0 H GLU A 88 3.942 -4.243 -2.299 1.00 0.00 H new ATOM 0 HA GLU A 88 2.017 -4.903 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.632 -6.205 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.268 -7.298 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.881 -5.432 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.605 -5.744 -6.147 1.00 0.00 H new ATOM 1352 N VAL A 89 0.637 -6.095 -2.788 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.247 -6.666 -1.786 1.00 0.00 C ATOM 1354 C VAL A 89 -0.756 -8.023 -2.274 1.00 0.00 C ATOM 1355 O VAL A 89 -1.201 -8.150 -3.414 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.376 -5.684 -1.464 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.296 -6.244 -0.377 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -0.817 -4.319 -1.060 1.00 0.00 C ATOM 0 H VAL A 89 0.197 -5.909 -3.689 1.00 0.00 H new ATOM 0 HA VAL A 89 0.292 -6.838 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.970 -5.548 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.090 -5.527 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.735 -7.181 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.720 -6.423 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.640 -3.640 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.188 -4.430 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.223 -3.912 -1.879 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.674 -9.004 -1.388 1.00 0.00 N ATOM 1369 CA LYS A 90 -1.120 -10.348 -1.715 1.00 0.00 C ATOM 1370 C LYS A 90 -1.824 -10.956 -0.500 1.00 0.00 C ATOM 1371 O LYS A 90 -1.371 -10.791 0.631 1.00 0.00 O ATOM 1372 CB LYS A 90 0.047 -11.189 -2.235 1.00 0.00 C ATOM 1373 CG LYS A 90 1.267 -11.058 -1.320 1.00 0.00 C ATOM 1374 CD LYS A 90 2.069 -12.360 -1.287 1.00 0.00 C ATOM 1375 CE LYS A 90 3.191 -12.340 -2.327 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.285 -13.647 -3.014 1.00 0.00 N ATOM 0 H LYS A 90 -0.305 -8.895 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.848 -10.321 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.254 -12.235 -2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.309 -10.870 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.902 -10.244 -1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.944 -10.800 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.492 -12.505 -0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.406 -13.204 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.005 -11.552 -3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.140 -12.108 -1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.051 -13.616 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.485 -14.392 -2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.385 -13.853 -3.493 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.920 -11.648 -0.777 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.691 -12.282 0.279 1.00 0.00 C ATOM 1392 C ALA A 91 -3.026 -13.604 0.667 1.00 0.00 C ATOM 1393 O ALA A 91 -2.724 -14.427 -0.196 1.00 0.00 O ATOM 1394 CB ALA A 91 -5.136 -12.470 -0.186 1.00 0.00 C ATOM 0 H ALA A 91 -3.292 -11.783 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.715 -11.652 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.714 -12.946 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.572 -11.499 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.153 -13.100 -1.076 1.00 0.00 H new ATOM 1400 N THR A 92 -2.818 -13.767 1.965 1.00 0.00 N ATOM 1401 CA THR A 92 -2.194 -14.976 2.477 1.00 0.00 C ATOM 1402 C THR A 92 -3.163 -15.731 3.389 1.00 0.00 C ATOM 1403 O THR A 92 -3.906 -15.118 4.154 1.00 0.00 O ATOM 1404 CB THR A 92 -0.891 -14.577 3.172 1.00 0.00 C ATOM 1405 OG1 THR A 92 -0.691 -15.598 4.146 1.00 0.00 O ATOM 1406 CG2 THR A 92 -1.036 -13.297 3.999 1.00 0.00 C ATOM 0 H THR A 92 -3.070 -13.082 2.678 1.00 0.00 H new ATOM 0 HA THR A 92 -1.951 -15.668 1.671 1.00 0.00 H new ATOM 0 HB THR A 92 -0.109 -14.440 2.425 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.664 -16.472 3.703 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.083 -13.059 4.471 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.334 -12.475 3.348 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.795 -13.444 4.768 1.00 0.00 H new ATOM 1414 N THR A 93 -3.124 -17.051 3.277 1.00 0.00 N ATOM 1415 CA THR A 93 -3.989 -17.896 4.082 1.00 0.00 C ATOM 1416 C THR A 93 -3.156 -18.862 4.926 1.00 0.00 C ATOM 1417 O THR A 93 -1.933 -18.742 4.988 1.00 0.00 O ATOM 1418 CB THR A 93 -4.969 -18.600 3.142 1.00 0.00 C ATOM 1419 OG1 THR A 93 -4.135 -19.396 2.304 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.652 -17.631 2.175 1.00 0.00 C ATOM 0 H THR A 93 -2.507 -17.556 2.641 1.00 0.00 H new ATOM 0 HA THR A 93 -4.566 -17.307 4.795 1.00 0.00 H new ATOM 0 HB THR A 93 -5.726 -19.120 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.690 -20.006 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.337 -18.182 1.531 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.208 -16.884 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.898 -17.136 1.563 1.00 0.00 H new ATOM 1428 N ASP A 94 -3.851 -19.799 5.555 1.00 0.00 N ATOM 1429 CA ASP A 94 -3.190 -20.785 6.392 1.00 0.00 C ATOM 1430 C ASP A 94 -2.396 -21.749 5.508 1.00 0.00 C ATOM 1431 O ASP A 94 -1.585 -22.528 6.006 1.00 0.00 O ATOM 1432 CB ASP A 94 -4.209 -21.603 7.188 1.00 0.00 C ATOM 1433 CG ASP A 94 -3.930 -21.701 8.689 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -2.977 -21.025 9.134 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -4.675 -22.449 9.357 1.00 0.00 O ATOM 0 H ASP A 94 -4.865 -19.896 5.501 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.534 -20.256 7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.196 -21.163 7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.246 -22.611 6.774 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.659 -21.665 4.212 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.979 -22.521 3.254 1.00 0.00 C ATOM 1442 C GLY A 95 -0.698 -21.860 2.742 1.00 0.00 C ATOM 1443 O GLY A 95 0.296 -22.538 2.486 1.00 0.00 O ATOM 0 H GLY A 95 -3.333 -21.018 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.738 -23.476 3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.643 -22.734 2.416 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.762 -20.543 2.607 1.00 0.00 N ATOM 1448 CA GLY A 96 0.380 -19.783 2.129 1.00 0.00 C ATOM 1449 C GLY A 96 -0.053 -18.410 1.611 1.00 0.00 C ATOM 1450 O GLY A 96 -1.048 -17.854 2.072 1.00 0.00 O ATOM 0 H GLY A 96 -1.587 -19.983 2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.103 -19.660 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.881 -20.334 1.333 1.00 0.00 H new ATOM 1454 N ASP A 97 0.717 -17.903 0.659 1.00 0.00 N ATOM 1455 CA ASP A 97 0.425 -16.605 0.073 1.00 0.00 C ATOM 1456 C ASP A 97 -0.550 -16.784 -1.092 1.00 0.00 C ATOM 1457 O ASP A 97 -0.926 -17.907 -1.424 1.00 0.00 O ATOM 1458 CB ASP A 97 1.696 -15.949 -0.471 1.00 0.00 C ATOM 1459 CG ASP A 97 2.677 -16.904 -1.152 1.00 0.00 C ATOM 1460 OD1 ASP A 97 2.362 -17.330 -2.284 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.721 -17.188 -0.524 1.00 0.00 O ATOM 0 H ASP A 97 1.542 -18.367 0.279 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.004 -15.972 0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.411 -15.176 -1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.210 -15.450 0.351 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.932 -15.660 -1.680 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.857 -15.678 -2.801 1.00 0.00 C ATOM 1468 C GLY A 98 -1.275 -14.934 -4.004 1.00 0.00 C ATOM 1469 O GLY A 98 -0.130 -15.167 -4.389 1.00 0.00 O ATOM 0 H GLY A 98 -0.618 -14.730 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.078 -16.709 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.800 -15.218 -2.506 1.00 0.00 H new ATOM 1473 N THR A 99 -2.090 -14.052 -4.564 1.00 0.00 N ATOM 1474 CA THR A 99 -1.671 -13.272 -5.716 1.00 0.00 C ATOM 1475 C THR A 99 -1.366 -11.831 -5.301 1.00 0.00 C ATOM 1476 O THR A 99 -2.046 -11.272 -4.442 1.00 0.00 O ATOM 1477 CB THR A 99 -2.762 -13.379 -6.783 1.00 0.00 C ATOM 1478 OG1 THR A 99 -3.199 -14.733 -6.697 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.206 -13.257 -8.203 1.00 0.00 C ATOM 0 H THR A 99 -3.038 -13.860 -4.241 1.00 0.00 H new ATOM 0 HA THR A 99 -0.744 -13.659 -6.140 1.00 0.00 H new ATOM 0 HB THR A 99 -3.509 -12.603 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.655 -14.983 -7.528 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.022 -13.340 -8.921 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.716 -12.290 -8.320 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.484 -14.054 -8.381 1.00 0.00 H new ATOM 1487 N SER A 100 -0.344 -11.271 -5.932 1.00 0.00 N ATOM 1488 CA SER A 100 0.059 -9.906 -5.639 1.00 0.00 C ATOM 1489 C SER A 100 -0.640 -8.938 -6.596 1.00 0.00 C ATOM 1490 O SER A 100 -0.655 -9.158 -7.806 1.00 0.00 O ATOM 1491 CB SER A 100 1.577 -9.747 -5.737 1.00 0.00 C ATOM 1492 OG SER A 100 2.269 -10.835 -5.131 1.00 0.00 O ATOM 0 H SER A 100 0.217 -11.738 -6.645 1.00 0.00 H new ATOM 0 HA SER A 100 -0.238 -9.673 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.867 -9.672 -6.785 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.875 -8.815 -5.257 1.00 0.00 H new ATOM 0 HG SER A 100 3.222 -10.781 -5.353 1.00 0.00 H new ATOM 1498 N SER A 101 -1.201 -7.886 -6.018 1.00 0.00 N ATOM 1499 CA SER A 101 -1.899 -6.883 -6.804 1.00 0.00 C ATOM 1500 C SER A 101 -0.904 -6.117 -7.678 1.00 0.00 C ATOM 1501 O SER A 101 0.300 -6.364 -7.617 1.00 0.00 O ATOM 1502 CB SER A 101 -2.669 -5.915 -5.904 1.00 0.00 C ATOM 1503 OG SER A 101 -1.804 -4.992 -5.248 1.00 0.00 O ATOM 0 H SER A 101 -1.186 -7.706 -5.014 1.00 0.00 H new ATOM 0 HA SER A 101 -2.619 -7.392 -7.445 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.398 -5.367 -6.501 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.228 -6.480 -5.158 1.00 0.00 H new ATOM 0 HG SER A 101 -1.903 -4.106 -5.654 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.443 -5.203 -8.471 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.617 -4.400 -9.357 1.00 0.00 C ATOM 1511 C GLU A 102 0.365 -3.554 -8.544 1.00 0.00 C ATOM 1512 O GLU A 102 -0.045 -2.772 -7.687 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.480 -3.519 -10.262 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.683 -4.173 -11.631 1.00 0.00 C ATOM 1515 CD GLU A 102 -1.137 -3.284 -12.750 1.00 0.00 C ATOM 1516 OE1 GLU A 102 0.062 -2.939 -12.667 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -1.930 -2.968 -13.662 1.00 0.00 O ATOM 0 H GLU A 102 -2.442 -5.000 -8.519 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.045 -5.072 -9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.447 -3.345 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.006 -2.545 -10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.182 -5.141 -11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.744 -4.360 -11.795 1.00 0.00 H new ATOM 1524 N GLN A 103 1.643 -3.738 -8.841 1.00 0.00 N ATOM 1525 CA GLN A 103 2.686 -3.002 -8.149 1.00 0.00 C ATOM 1526 C GLN A 103 2.346 -1.511 -8.108 1.00 0.00 C ATOM 1527 O GLN A 103 1.912 -0.942 -9.108 1.00 0.00 O ATOM 1528 CB GLN A 103 4.049 -3.235 -8.804 1.00 0.00 C ATOM 1529 CG GLN A 103 4.738 -4.467 -8.214 1.00 0.00 C ATOM 1530 CD GLN A 103 5.809 -5.005 -9.165 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.092 -4.437 -10.207 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.387 -6.128 -8.749 1.00 0.00 N ATOM 0 H GLN A 103 1.980 -4.387 -9.552 1.00 0.00 H new ATOM 0 HA GLN A 103 2.744 -3.370 -7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.922 -3.365 -9.879 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.680 -2.358 -8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.192 -4.211 -7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.998 -5.243 -8.018 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.102 -6.551 -7.866 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.115 -6.566 -9.313 1.00 0.00 H new ATOM 1541 N ILE A 104 2.555 -0.921 -6.940 1.00 0.00 N ATOM 1542 CA ILE A 104 2.276 0.493 -6.755 1.00 0.00 C ATOM 1543 C ILE A 104 3.501 1.310 -7.172 1.00 0.00 C ATOM 1544 O ILE A 104 4.607 0.777 -7.255 1.00 0.00 O ATOM 1545 CB ILE A 104 1.813 0.765 -5.323 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.814 -0.297 -4.858 1.00 0.00 C ATOM 1547 CG2 ILE A 104 1.248 2.181 -5.188 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.163 0.281 -3.833 1.00 0.00 C ATOM 0 H ILE A 104 2.914 -1.397 -6.112 1.00 0.00 H new ATOM 0 HA ILE A 104 1.452 0.805 -7.396 1.00 0.00 H new ATOM 0 HB ILE A 104 2.681 0.701 -4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.262 -0.682 -5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.350 -1.139 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.926 2.348 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.018 2.907 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.396 2.298 -5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.862 -0.494 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.391 0.643 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.715 1.107 -4.282 1.00 0.00 H new ATOM 1560 N ARG A 105 3.263 2.589 -7.422 1.00 0.00 N ATOM 1561 CA ARG A 105 4.334 3.484 -7.827 1.00 0.00 C ATOM 1562 C ARG A 105 4.253 4.796 -7.045 1.00 0.00 C ATOM 1563 O ARG A 105 3.469 5.680 -7.387 1.00 0.00 O ATOM 1564 CB ARG A 105 4.261 3.786 -9.325 1.00 0.00 C ATOM 1565 CG ARG A 105 5.607 3.523 -10.004 1.00 0.00 C ATOM 1566 CD ARG A 105 5.434 3.335 -11.512 1.00 0.00 C ATOM 1567 NE ARG A 105 6.655 3.779 -12.221 1.00 0.00 N ATOM 1568 CZ ARG A 105 6.943 3.462 -13.491 1.00 0.00 C ATOM 1569 NH1 ARG A 105 6.100 2.699 -14.199 1.00 0.00 N ATOM 1570 NH2 ARG A 105 8.074 3.910 -14.053 1.00 0.00 N ATOM 0 H ARG A 105 2.344 3.027 -7.352 1.00 0.00 H new ATOM 0 HA ARG A 105 5.281 2.988 -7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.490 3.169 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.970 4.826 -9.476 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.283 4.356 -9.813 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.068 2.634 -9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.235 2.287 -11.736 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.573 3.905 -11.861 1.00 0.00 H new ATOM 0 HE ARG A 105 7.319 4.362 -11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.238 2.359 -13.772 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.320 2.458 -15.165 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.715 4.492 -13.514 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.293 3.669 -15.019 1.00 0.00 H new ATOM 1584 N ILE A 106 5.075 4.881 -6.009 1.00 0.00 N ATOM 1585 CA ILE A 106 5.107 6.071 -5.175 1.00 0.00 C ATOM 1586 C ILE A 106 6.449 6.781 -5.358 1.00 0.00 C ATOM 1587 O ILE A 106 7.446 6.400 -4.746 1.00 0.00 O ATOM 1588 CB ILE A 106 4.793 5.714 -3.721 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.560 4.812 -3.631 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.644 6.975 -2.867 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.557 4.017 -2.324 1.00 0.00 C ATOM 0 H ILE A 106 5.724 4.146 -5.728 1.00 0.00 H new ATOM 0 HA ILE A 106 4.331 6.772 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 106 5.634 5.150 -3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.656 5.418 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.544 4.126 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.421 6.693 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.573 7.545 -2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.832 7.587 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.670 3.384 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.450 3.394 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.548 4.706 -1.479 1.00 0.00 H new ATOM 1603 N PRO A 107 6.432 7.828 -6.226 1.00 0.00 N ATOM 1604 CA PRO A 107 7.636 8.595 -6.497 1.00 0.00 C ATOM 1605 C PRO A 107 7.970 9.524 -5.328 1.00 0.00 C ATOM 1606 O PRO A 107 7.109 9.821 -4.501 1.00 0.00 O ATOM 1607 CB PRO A 107 7.343 9.344 -7.786 1.00 0.00 C ATOM 1608 CG PRO A 107 5.831 9.334 -7.940 1.00 0.00 C ATOM 1609 CD PRO A 107 5.271 8.308 -6.968 1.00 0.00 C ATOM 0 HA PRO A 107 8.519 7.966 -6.609 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.724 10.364 -7.740 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.825 8.862 -8.636 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.419 10.322 -7.732 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.553 9.082 -8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.533 8.755 -6.302 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.773 7.494 -7.495 1.00 0.00 H new ATOM 1617 N ARG A 108 9.221 9.958 -5.296 1.00 0.00 N ATOM 1618 CA ARG A 108 9.679 10.847 -4.242 1.00 0.00 C ATOM 1619 C ARG A 108 8.589 11.864 -3.895 1.00 0.00 C ATOM 1620 O ARG A 108 7.914 12.382 -4.783 1.00 0.00 O ATOM 1621 CB ARG A 108 10.947 11.592 -4.663 1.00 0.00 C ATOM 1622 CG ARG A 108 12.198 10.775 -4.333 1.00 0.00 C ATOM 1623 CD ARG A 108 13.122 10.673 -5.548 1.00 0.00 C ATOM 1624 NE ARG A 108 13.599 12.020 -5.936 1.00 0.00 N ATOM 1625 CZ ARG A 108 13.075 12.743 -6.935 1.00 0.00 C ATOM 1626 NH1 ARG A 108 12.055 12.254 -7.654 1.00 0.00 N ATOM 1627 NH2 ARG A 108 13.571 13.956 -7.216 1.00 0.00 N ATOM 0 H ARG A 108 9.932 9.710 -5.984 1.00 0.00 H new ATOM 0 HA ARG A 108 9.903 10.237 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.914 11.797 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.993 12.555 -4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.732 11.239 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.909 9.776 -4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.971 10.030 -5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.591 10.212 -6.381 1.00 0.00 H new ATOM 0 HE ARG A 108 14.375 12.423 -5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.677 11.331 -7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.657 12.805 -8.414 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.347 14.329 -6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.172 14.506 -7.976 1.00 0.00 H new