USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 581 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 396 HIS : no HD1:sc= 0.11 K(o=0.26,f=-2.7) USER MOD Set 1.2: A 405 THR OG1 : rot 130:sc= 0.151 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.151 K(o=-0.15,f=-2.2) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot 180:sc= -0.69 USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 365 HIS : no HD1:sc= -0.345 K(o=-0.34,f=-2.3) USER MOD Single : A 366 LYS NZ :NH3+ 170:sc= -0.0251 (180deg=-0.201) USER MOD Single : A 370 SER OG : rot 180:sc= -0.128 USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 GLN :FLIP amide:sc= -2.02 F(o=-6!,f=-2) USER MOD Single : A 373 GLN : amide:sc= -3.31 K(o=-3.3,f=-6.2!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -3.34! C(o=-8.4!,f=-3.3!) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -115:sc= -1.14 (180deg=-4.89!) USER MOD Single : A 386 GLN :FLIP amide:sc= 0.6 F(o=0,f=0.6) USER MOD Single : A 387 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.019) USER MOD Single : A 390 LYS NZ :NH3+ -172:sc= -3.02! (180deg=-3.23!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -168:sc= -0.0208 (180deg=-0.205) USER MOD Single : A 397 ASN : amide:sc= -0.587 K(o=-0.59,f=-2!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.603 F(o=-4.2!,f=-0.6) USER MOD Single : A 402 LYS NZ :NH3+ -169:sc= -1.81 (180deg=-1.94) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ -165:sc= -0.0452 (180deg=-0.333) USER MOD Single : A 412 LYS NZ :NH3+ 144:sc= -3.07! (180deg=-5.66!) USER MOD Single : A 413 LYS NZ :NH3+ -168:sc= 0.128 (180deg=0.0903) USER MOD Single : A 418 THR OG1 : rot -41:sc= 1.07 USER MOD Single : A 420 LYS NZ :NH3+ 169:sc= -0.0231 (180deg=-0.185) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.049) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 8.938 -10.041 12.733 1.00 0.00 N ATOM 2 CA GLY A 354 9.996 -9.533 11.817 1.00 0.00 C ATOM 3 C GLY A 354 10.578 -10.623 10.937 1.00 0.00 C ATOM 4 O GLY A 354 9.841 -11.414 10.348 1.00 0.00 O ATOM 0 HA2 GLY A 354 9.580 -8.747 11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 354 10.795 -9.081 12.405 1.00 0.00 H new ATOM 10 N SER A 355 11.906 -10.661 10.850 1.00 0.00 N ATOM 11 CA SER A 355 12.600 -11.656 10.038 1.00 0.00 C ATOM 12 C SER A 355 12.158 -11.576 8.576 1.00 0.00 C ATOM 13 O SER A 355 11.918 -10.487 8.054 1.00 0.00 O ATOM 14 CB SER A 355 12.351 -13.060 10.597 1.00 0.00 C ATOM 15 OG SER A 355 12.819 -13.170 11.930 1.00 0.00 O ATOM 0 H SER A 355 12.525 -10.011 11.335 1.00 0.00 H new ATOM 0 HA SER A 355 13.669 -11.445 10.078 1.00 0.00 H new ATOM 0 HB2 SER A 355 11.285 -13.284 10.563 1.00 0.00 H new ATOM 0 HB3 SER A 355 12.852 -13.798 9.971 1.00 0.00 H new ATOM 0 HG SER A 355 12.646 -14.075 12.264 1.00 0.00 H new ATOM 21 N HIS A 356 12.053 -12.730 7.920 1.00 0.00 N ATOM 22 CA HIS A 356 11.642 -12.780 6.522 1.00 0.00 C ATOM 23 C HIS A 356 10.195 -12.323 6.359 1.00 0.00 C ATOM 24 O HIS A 356 9.317 -12.725 7.122 1.00 0.00 O ATOM 25 CB HIS A 356 11.806 -14.198 5.971 1.00 0.00 C ATOM 26 CG HIS A 356 13.216 -14.700 6.027 1.00 0.00 C ATOM 27 ND1 HIS A 356 13.918 -14.844 7.205 1.00 0.00 N ATOM 28 CD2 HIS A 356 14.057 -15.088 5.039 1.00 0.00 C ATOM 29 CE1 HIS A 356 15.131 -15.298 6.940 1.00 0.00 C ATOM 30 NE2 HIS A 356 15.240 -15.454 5.633 1.00 0.00 N ATOM 0 H HIS A 356 12.247 -13.641 8.335 1.00 0.00 H new ATOM 0 HA HIS A 356 12.282 -12.101 5.959 1.00 0.00 H new ATOM 0 HB2 HIS A 356 11.165 -14.875 6.535 1.00 0.00 H new ATOM 0 HB3 HIS A 356 11.461 -14.220 4.937 1.00 0.00 H new ATOM 0 HD2 HIS A 356 13.838 -15.106 3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 356 15.901 -15.506 7.668 1.00 0.00 H new ATOM 0 HE2 HIS A 356 16.069 -15.792 5.144 1.00 0.00 H new ATOM 39 N MET A 357 9.958 -11.481 5.357 1.00 0.00 N ATOM 40 CA MET A 357 8.620 -10.967 5.086 1.00 0.00 C ATOM 41 C MET A 357 7.693 -12.071 4.573 1.00 0.00 C ATOM 42 O MET A 357 7.771 -13.214 5.023 1.00 0.00 O ATOM 43 CB MET A 357 8.698 -9.809 4.082 1.00 0.00 C ATOM 44 CG MET A 357 9.651 -10.056 2.918 1.00 0.00 C ATOM 45 SD MET A 357 9.185 -11.472 1.902 1.00 0.00 S ATOM 46 CE MET A 357 10.507 -11.472 0.692 1.00 0.00 C ATOM 0 H MET A 357 10.677 -11.140 4.719 1.00 0.00 H new ATOM 0 HA MET A 357 8.199 -10.596 6.020 1.00 0.00 H new ATOM 0 HB2 MET A 357 7.701 -9.618 3.686 1.00 0.00 H new ATOM 0 HB3 MET A 357 9.011 -8.907 4.608 1.00 0.00 H new ATOM 0 HG2 MET A 357 9.687 -9.165 2.292 1.00 0.00 H new ATOM 0 HG3 MET A 357 10.657 -10.213 3.308 1.00 0.00 H new ATOM 0 HE1 MET A 357 10.359 -12.293 -0.009 1.00 0.00 H new ATOM 0 HE2 MET A 357 10.504 -10.527 0.149 1.00 0.00 H new ATOM 0 HE3 MET A 357 11.464 -11.596 1.199 1.00 0.00 H new ATOM 56 N LEU A 358 6.816 -11.725 3.632 1.00 0.00 N ATOM 57 CA LEU A 358 5.881 -12.691 3.064 1.00 0.00 C ATOM 58 C LEU A 358 5.181 -12.127 1.829 1.00 0.00 C ATOM 59 O LEU A 358 4.015 -12.426 1.571 1.00 0.00 O ATOM 60 CB LEU A 358 4.850 -13.114 4.119 1.00 0.00 C ATOM 61 CG LEU A 358 4.258 -11.978 4.964 1.00 0.00 C ATOM 62 CD1 LEU A 358 3.381 -11.063 4.123 1.00 0.00 C ATOM 63 CD2 LEU A 358 3.468 -12.546 6.133 1.00 0.00 C ATOM 0 H LEU A 358 6.734 -10.784 3.248 1.00 0.00 H new ATOM 0 HA LEU A 358 6.449 -13.568 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 358 4.033 -13.631 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 358 5.318 -13.835 4.789 1.00 0.00 H new ATOM 0 HG LEU A 358 5.084 -11.383 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 358 2.977 -10.269 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 358 3.976 -10.625 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 358 2.561 -11.639 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 358 3.054 -11.729 6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 358 2.657 -13.168 5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 358 4.127 -13.148 6.759 1.00 0.00 H new ATOM 75 N GLU A 359 5.911 -11.318 1.064 1.00 0.00 N ATOM 76 CA GLU A 359 5.375 -10.712 -0.151 1.00 0.00 C ATOM 77 C GLU A 359 6.445 -9.889 -0.863 1.00 0.00 C ATOM 78 O GLU A 359 7.162 -9.109 -0.234 1.00 0.00 O ATOM 79 CB GLU A 359 4.168 -9.826 0.173 1.00 0.00 C ATOM 80 CG GLU A 359 4.483 -8.689 1.131 1.00 0.00 C ATOM 81 CD GLU A 359 3.278 -7.815 1.422 1.00 0.00 C ATOM 82 OE1 GLU A 359 2.189 -8.104 0.882 1.00 0.00 O ATOM 83 OE2 GLU A 359 3.423 -6.842 2.191 1.00 0.00 O ATOM 0 H GLU A 359 6.879 -11.067 1.266 1.00 0.00 H new ATOM 0 HA GLU A 359 5.054 -11.517 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 359 3.775 -9.409 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 359 3.380 -10.444 0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 359 4.861 -9.102 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 359 5.279 -8.075 0.709 1.00 0.00 H new ATOM 90 N VAL A 360 6.548 -10.066 -2.177 1.00 0.00 N ATOM 91 CA VAL A 360 7.529 -9.338 -2.971 1.00 0.00 C ATOM 92 C VAL A 360 7.219 -7.843 -2.982 1.00 0.00 C ATOM 93 O VAL A 360 6.091 -7.437 -3.261 1.00 0.00 O ATOM 94 CB VAL A 360 7.572 -9.855 -4.421 1.00 0.00 C ATOM 95 CG1 VAL A 360 8.659 -9.143 -5.210 1.00 0.00 C ATOM 96 CG2 VAL A 360 7.784 -11.362 -4.446 1.00 0.00 C ATOM 0 H VAL A 360 5.964 -10.707 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 360 8.502 -9.503 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 360 6.613 -9.639 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 360 8.674 -9.522 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 360 8.457 -8.072 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 360 9.626 -9.324 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 360 7.812 -11.708 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 360 8.727 -11.605 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 360 6.965 -11.853 -3.920 1.00 0.00 H new ATOM 106 N LEU A 361 8.225 -7.030 -2.674 1.00 0.00 N ATOM 107 CA LEU A 361 8.057 -5.579 -2.643 1.00 0.00 C ATOM 108 C LEU A 361 8.340 -4.953 -4.009 1.00 0.00 C ATOM 109 O LEU A 361 8.927 -3.874 -4.094 1.00 0.00 O ATOM 110 CB LEU A 361 8.975 -4.964 -1.584 1.00 0.00 C ATOM 111 CG LEU A 361 8.737 -5.457 -0.153 1.00 0.00 C ATOM 112 CD1 LEU A 361 9.731 -4.817 0.803 1.00 0.00 C ATOM 113 CD2 LEU A 361 7.310 -5.160 0.284 1.00 0.00 C ATOM 0 H LEU A 361 9.165 -7.350 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 361 7.019 -5.369 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 361 10.009 -5.173 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 361 8.853 -3.881 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 361 8.885 -6.537 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.547 -5.179 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.745 -5.079 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.614 -3.734 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.160 -5.517 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.134 -4.085 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 361 6.612 -5.665 -0.384 1.00 0.00 H new ATOM 125 N THR A 362 7.906 -5.629 -5.071 1.00 0.00 N ATOM 126 CA THR A 362 8.103 -5.133 -6.433 1.00 0.00 C ATOM 127 C THR A 362 6.980 -5.607 -7.351 1.00 0.00 C ATOM 128 O THR A 362 6.598 -6.777 -7.325 1.00 0.00 O ATOM 129 CB THR A 362 9.450 -5.594 -7.031 1.00 0.00 C ATOM 130 OG1 THR A 362 9.526 -7.023 -7.029 1.00 0.00 O ATOM 131 CG2 THR A 362 10.627 -5.018 -6.259 1.00 0.00 C ATOM 0 H THR A 362 7.416 -6.522 -5.015 1.00 0.00 H new ATOM 0 HA THR A 362 8.101 -4.045 -6.367 1.00 0.00 H new ATOM 0 HB THR A 362 9.502 -5.227 -8.056 1.00 0.00 H new ATOM 0 HG1 THR A 362 10.383 -7.306 -7.412 1.00 0.00 H new ATOM 0 HG21 THR A 362 11.559 -5.363 -6.707 1.00 0.00 H new ATOM 0 HG22 THR A 362 10.588 -3.929 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 362 10.579 -5.349 -5.222 1.00 0.00 H new ATOM 139 N GLN A 363 6.454 -4.691 -8.160 1.00 0.00 N ATOM 140 CA GLN A 363 5.375 -5.020 -9.084 1.00 0.00 C ATOM 141 C GLN A 363 5.841 -6.032 -10.126 1.00 0.00 C ATOM 142 O GLN A 363 6.810 -5.790 -10.848 1.00 0.00 O ATOM 143 CB GLN A 363 4.869 -3.753 -9.780 1.00 0.00 C ATOM 144 CG GLN A 363 3.722 -4.003 -10.744 1.00 0.00 C ATOM 145 CD GLN A 363 3.273 -2.743 -11.458 1.00 0.00 C ATOM 146 OE1 GLN A 363 2.876 -1.764 -10.825 1.00 0.00 O ATOM 147 NE2 GLN A 363 3.331 -2.762 -12.785 1.00 0.00 N ATOM 0 H GLN A 363 6.757 -3.718 -8.194 1.00 0.00 H new ATOM 0 HA GLN A 363 4.561 -5.463 -8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 363 4.547 -3.037 -9.023 1.00 0.00 H new ATOM 0 HB3 GLN A 363 5.695 -3.293 -10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 363 4.028 -4.745 -11.482 1.00 0.00 H new ATOM 0 HG3 GLN A 363 2.879 -4.426 -10.198 1.00 0.00 H new ATOM 0 HE21 GLN A 363 3.667 -3.595 -13.269 1.00 0.00 H new ATOM 0 HE22 GLN A 363 3.040 -1.944 -13.320 1.00 0.00 H new ATOM 156 N LYS A 364 5.138 -7.159 -10.205 1.00 0.00 N ATOM 157 CA LYS A 364 5.467 -8.214 -11.160 1.00 0.00 C ATOM 158 C LYS A 364 4.234 -9.056 -11.465 1.00 0.00 C ATOM 159 O LYS A 364 3.733 -9.765 -10.594 1.00 0.00 O ATOM 160 CB LYS A 364 6.577 -9.116 -10.605 1.00 0.00 C ATOM 161 CG LYS A 364 7.920 -8.419 -10.437 1.00 0.00 C ATOM 162 CD LYS A 364 8.952 -9.334 -9.795 1.00 0.00 C ATOM 163 CE LYS A 364 9.218 -10.566 -10.644 1.00 0.00 C ATOM 164 NZ LYS A 364 10.230 -11.463 -10.019 1.00 0.00 N ATOM 0 H LYS A 364 4.332 -7.366 -9.615 1.00 0.00 H new ATOM 0 HA LYS A 364 5.817 -7.743 -12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 364 6.261 -9.510 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 364 6.704 -9.969 -11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 364 8.282 -8.088 -11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 364 7.793 -7.527 -9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 364 9.883 -8.786 -9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 364 8.603 -9.640 -8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 364 8.287 -11.114 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 364 9.565 -10.259 -11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 10.383 -12.291 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 11.126 -10.948 -9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 9.888 -11.777 -9.088 1.00 0.00 H new ATOM 178 N HIS A 365 3.759 -8.967 -12.707 1.00 0.00 N ATOM 179 CA HIS A 365 2.580 -9.711 -13.156 1.00 0.00 C ATOM 180 C HIS A 365 1.306 -9.192 -12.490 1.00 0.00 C ATOM 181 O HIS A 365 0.424 -8.654 -13.159 1.00 0.00 O ATOM 182 CB HIS A 365 2.749 -11.206 -12.874 1.00 0.00 C ATOM 183 CG HIS A 365 3.915 -11.819 -13.585 1.00 0.00 C ATOM 184 ND1 HIS A 365 5.215 -11.400 -13.397 1.00 0.00 N ATOM 185 CD2 HIS A 365 3.972 -12.824 -14.492 1.00 0.00 C ATOM 186 CE1 HIS A 365 6.021 -12.118 -14.158 1.00 0.00 C ATOM 187 NE2 HIS A 365 5.292 -12.990 -14.830 1.00 0.00 N ATOM 0 H HIS A 365 4.178 -8.380 -13.428 1.00 0.00 H new ATOM 0 HA HIS A 365 2.485 -9.561 -14.231 1.00 0.00 H new ATOM 0 HB2 HIS A 365 2.869 -11.354 -11.801 1.00 0.00 H new ATOM 0 HB3 HIS A 365 1.839 -11.728 -13.168 1.00 0.00 H new ATOM 0 HD2 HIS A 365 3.136 -13.389 -14.877 1.00 0.00 H new ATOM 0 HE1 HIS A 365 7.094 -12.010 -14.220 1.00 0.00 H new ATOM 0 HE2 HIS A 365 5.652 -13.676 -15.493 1.00 0.00 H new ATOM 196 N LYS A 366 1.217 -9.351 -11.173 1.00 0.00 N ATOM 197 CA LYS A 366 0.054 -8.894 -10.422 1.00 0.00 C ATOM 198 C LYS A 366 0.114 -7.386 -10.184 1.00 0.00 C ATOM 199 O LYS A 366 1.153 -6.855 -9.789 1.00 0.00 O ATOM 200 CB LYS A 366 -0.039 -9.634 -9.085 1.00 0.00 C ATOM 201 CG LYS A 366 -1.152 -9.127 -8.182 1.00 0.00 C ATOM 202 CD LYS A 366 -1.235 -9.930 -6.894 1.00 0.00 C ATOM 203 CE LYS A 366 -2.272 -9.352 -5.944 1.00 0.00 C ATOM 204 NZ LYS A 366 -3.622 -9.282 -6.568 1.00 0.00 N ATOM 0 H LYS A 366 1.938 -9.794 -10.604 1.00 0.00 H new ATOM 0 HA LYS A 366 -0.836 -9.112 -11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 366 -0.194 -10.696 -9.277 1.00 0.00 H new ATOM 0 HB3 LYS A 366 0.912 -9.541 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 366 -0.981 -8.077 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 366 -2.104 -9.184 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 366 -1.488 -10.965 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 366 -0.260 -9.941 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 366 -2.320 -9.964 -5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 366 -1.963 -8.354 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 -4.328 -9.045 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 -3.625 -8.550 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 -3.857 -10.202 -6.992 1.00 0.00 H new ATOM 218 N PRO A 367 -1.004 -6.672 -10.413 1.00 0.00 N ATOM 219 CA PRO A 367 -1.073 -5.225 -10.212 1.00 0.00 C ATOM 220 C PRO A 367 -1.233 -4.851 -8.742 1.00 0.00 C ATOM 221 O PRO A 367 -1.977 -3.930 -8.403 1.00 0.00 O ATOM 222 CB PRO A 367 -2.308 -4.828 -11.006 1.00 0.00 C ATOM 223 CG PRO A 367 -3.196 -6.017 -10.944 1.00 0.00 C ATOM 224 CD PRO A 367 -2.295 -7.221 -10.877 1.00 0.00 C ATOM 0 HA PRO A 367 -0.162 -4.719 -10.531 1.00 0.00 H new ATOM 0 HB2 PRO A 367 -2.791 -3.951 -10.575 1.00 0.00 H new ATOM 0 HB3 PRO A 367 -2.053 -4.578 -12.036 1.00 0.00 H new ATOM 0 HG2 PRO A 367 -3.846 -5.970 -10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 367 -3.842 -6.065 -11.820 1.00 0.00 H new ATOM 0 HD2 PRO A 367 -2.681 -7.971 -10.187 1.00 0.00 H new ATOM 0 HD3 PRO A 367 -2.198 -7.702 -11.850 1.00 0.00 H new ATOM 232 N ALA A 368 -0.529 -5.572 -7.874 1.00 0.00 N ATOM 233 CA ALA A 368 -0.586 -5.321 -6.439 1.00 0.00 C ATOM 234 C ALA A 368 0.080 -3.993 -6.088 1.00 0.00 C ATOM 235 O ALA A 368 0.052 -3.047 -6.875 1.00 0.00 O ATOM 236 CB ALA A 368 0.068 -6.471 -5.686 1.00 0.00 C ATOM 0 H ALA A 368 0.090 -6.337 -8.142 1.00 0.00 H new ATOM 0 HA ALA A 368 -1.632 -5.254 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 368 0.022 -6.277 -4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 368 -0.459 -7.399 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 368 1.110 -6.562 -5.994 1.00 0.00 H new ATOM 242 N GLU A 369 0.677 -3.931 -4.902 1.00 0.00 N ATOM 243 CA GLU A 369 1.351 -2.720 -4.447 1.00 0.00 C ATOM 244 C GLU A 369 2.605 -2.453 -5.285 1.00 0.00 C ATOM 245 O GLU A 369 2.569 -2.554 -6.511 1.00 0.00 O ATOM 246 CB GLU A 369 1.704 -2.846 -2.962 1.00 0.00 C ATOM 247 CG GLU A 369 0.523 -3.245 -2.091 1.00 0.00 C ATOM 248 CD GLU A 369 0.898 -3.381 -0.629 1.00 0.00 C ATOM 249 OE1 GLU A 369 1.352 -2.380 -0.036 1.00 0.00 O ATOM 250 OE2 GLU A 369 0.737 -4.489 -0.076 1.00 0.00 O ATOM 0 H GLU A 369 0.708 -4.705 -4.239 1.00 0.00 H new ATOM 0 HA GLU A 369 0.677 -1.873 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 369 2.497 -3.585 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 369 2.101 -1.894 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 369 -0.267 -2.500 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 369 0.116 -4.191 -2.448 1.00 0.00 H new ATOM 257 N SER A 370 3.714 -2.114 -4.627 1.00 0.00 N ATOM 258 CA SER A 370 4.965 -1.837 -5.327 1.00 0.00 C ATOM 259 C SER A 370 6.103 -1.636 -4.322 1.00 0.00 C ATOM 260 O SER A 370 6.220 -2.391 -3.356 1.00 0.00 O ATOM 261 CB SER A 370 4.801 -0.604 -6.223 1.00 0.00 C ATOM 262 OG SER A 370 4.619 0.570 -5.451 1.00 0.00 O ATOM 0 H SER A 370 3.770 -2.025 -3.612 1.00 0.00 H new ATOM 0 HA SER A 370 5.217 -2.690 -5.957 1.00 0.00 H new ATOM 0 HB2 SER A 370 5.680 -0.493 -6.857 1.00 0.00 H new ATOM 0 HB3 SER A 370 3.946 -0.743 -6.885 1.00 0.00 H new ATOM 0 HG SER A 370 4.519 1.341 -6.047 1.00 0.00 H new ATOM 268 N GLN A 371 6.941 -0.622 -4.543 1.00 0.00 N ATOM 269 CA GLN A 371 8.055 -0.345 -3.644 1.00 0.00 C ATOM 270 C GLN A 371 7.549 0.104 -2.275 1.00 0.00 C ATOM 271 O GLN A 371 8.075 -0.307 -1.241 1.00 0.00 O ATOM 272 CB GLN A 371 8.975 0.723 -4.243 1.00 0.00 C ATOM 273 CG GLN A 371 8.282 2.049 -4.513 1.00 0.00 C ATOM 274 CD GLN A 371 9.219 3.088 -5.097 1.00 0.00 C ATOM 275 OE1 GLN A 371 10.225 3.447 -4.485 1.00 0.00 O ATOM 276 NE2 GLN A 371 8.892 3.578 -6.287 1.00 0.00 N ATOM 0 H GLN A 371 6.868 0.017 -5.335 1.00 0.00 H new ATOM 0 HA GLN A 371 8.624 -1.266 -3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 371 9.810 0.892 -3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 371 9.394 0.346 -5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 371 7.451 1.887 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 371 7.858 2.429 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 371 8.049 3.252 -6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 371 9.484 4.281 -6.729 1.00 0.00 H new ATOM 285 N GLN A 372 6.525 0.951 -2.281 1.00 0.00 N ATOM 286 CA GLN A 372 5.942 1.460 -1.046 1.00 0.00 C ATOM 287 C GLN A 372 4.497 1.898 -1.266 1.00 0.00 C ATOM 288 O GLN A 372 4.167 2.489 -2.295 1.00 0.00 O ATOM 289 CB GLN A 372 6.790 2.617 -0.502 1.00 0.00 C ATOM 290 CG GLN A 372 7.074 3.712 -1.523 1.00 0.00 C ATOM 291 CD GLN A 372 5.934 4.703 -1.683 1.00 0.00 C ATOM 292 OE1 GLN A 372 4.964 4.653 -0.778 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 5.937 5.521 -2.603 1.00 0.00 N flip ATOM 0 H GLN A 372 6.081 1.300 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 372 5.935 0.658 -0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.279 3.057 0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 372 7.737 2.219 -0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 372 7.974 4.251 -1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 372 7.283 3.252 -2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 372 6.702 5.526 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 372 5.175 6.193 -2.690 1.00 0.00 H new ATOM 302 N GLN A 373 3.636 1.595 -0.297 1.00 0.00 N ATOM 303 CA GLN A 373 2.221 1.947 -0.383 1.00 0.00 C ATOM 304 C GLN A 373 2.045 3.448 -0.603 1.00 0.00 C ATOM 305 O GLN A 373 2.574 4.260 0.155 1.00 0.00 O ATOM 306 CB GLN A 373 1.494 1.519 0.893 1.00 0.00 C ATOM 307 CG GLN A 373 -0.006 1.762 0.859 1.00 0.00 C ATOM 308 CD GLN A 373 -0.710 0.928 -0.194 1.00 0.00 C ATOM 309 OE1 GLN A 373 -0.456 1.070 -1.390 1.00 0.00 O ATOM 310 NE2 GLN A 373 -1.598 0.046 0.249 1.00 0.00 N ATOM 0 H GLN A 373 3.895 1.105 0.559 1.00 0.00 H new ATOM 0 HA GLN A 373 1.791 1.421 -1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.676 0.458 1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.920 2.057 1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -0.429 1.536 1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.195 2.818 0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -1.778 -0.038 1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -2.101 -0.547 -0.411 1.00 0.00 H new ATOM 319 N ALA A 374 1.301 3.809 -1.648 1.00 0.00 N ATOM 320 CA ALA A 374 1.064 5.212 -1.968 1.00 0.00 C ATOM 321 C ALA A 374 -0.425 5.518 -2.073 1.00 0.00 C ATOM 322 O ALA A 374 -1.189 4.742 -2.646 1.00 0.00 O ATOM 323 CB ALA A 374 1.768 5.581 -3.266 1.00 0.00 C ATOM 0 H ALA A 374 0.854 3.149 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 374 1.472 5.813 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.584 6.631 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.840 5.416 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.385 4.961 -4.077 1.00 0.00 H new ATOM 329 N ALA A 375 -0.825 6.659 -1.518 1.00 0.00 N ATOM 330 CA ALA A 375 -2.216 7.085 -1.546 1.00 0.00 C ATOM 331 C ALA A 375 -2.763 7.083 -2.968 1.00 0.00 C ATOM 332 O ALA A 375 -2.538 8.020 -3.735 1.00 0.00 O ATOM 333 CB ALA A 375 -2.353 8.469 -0.929 1.00 0.00 C ATOM 0 H ALA A 375 -0.198 7.307 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.800 6.376 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.398 8.777 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -2.009 8.442 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.750 9.180 -1.494 1.00 0.00 H new ATOM 339 N GLU A 376 -3.484 6.022 -3.305 1.00 0.00 N ATOM 340 CA GLU A 376 -4.076 5.875 -4.625 1.00 0.00 C ATOM 341 C GLU A 376 -5.196 6.890 -4.827 1.00 0.00 C ATOM 342 O GLU A 376 -5.125 8.016 -4.335 1.00 0.00 O ATOM 343 CB GLU A 376 -4.603 4.447 -4.792 1.00 0.00 C ATOM 344 CG GLU A 376 -3.565 3.376 -4.490 1.00 0.00 C ATOM 345 CD GLU A 376 -2.395 3.398 -5.455 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.677 4.419 -5.500 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.196 2.391 -6.167 1.00 0.00 O ATOM 0 H GLU A 376 -3.673 5.244 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.314 6.063 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.461 4.306 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.960 4.317 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.194 3.513 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.041 2.396 -4.526 1.00 0.00 H new ATOM 354 N THR A 377 -6.226 6.485 -5.553 1.00 0.00 N ATOM 355 CA THR A 377 -7.360 7.351 -5.827 1.00 0.00 C ATOM 356 C THR A 377 -8.647 6.547 -5.848 1.00 0.00 C ATOM 357 O THR A 377 -8.625 5.338 -6.073 1.00 0.00 O ATOM 358 CB THR A 377 -7.193 8.086 -7.168 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.162 7.144 -8.248 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.909 8.903 -7.166 1.00 0.00 C ATOM 0 H THR A 377 -6.299 5.555 -5.965 1.00 0.00 H new ATOM 0 HA THR A 377 -7.407 8.093 -5.029 1.00 0.00 H new ATOM 0 HB THR A 377 -8.042 8.757 -7.302 1.00 0.00 H new ATOM 0 HG1 THR A 377 -7.057 7.623 -9.097 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.804 9.418 -8.121 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.946 9.637 -6.361 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.057 8.241 -7.015 1.00 0.00 H new ATOM 368 N GLU A 378 -9.763 7.218 -5.587 1.00 0.00 N ATOM 369 CA GLU A 378 -11.058 6.556 -5.556 1.00 0.00 C ATOM 370 C GLU A 378 -11.223 5.635 -6.757 1.00 0.00 C ATOM 371 O GLU A 378 -11.734 4.524 -6.636 1.00 0.00 O ATOM 372 CB GLU A 378 -12.184 7.588 -5.531 1.00 0.00 C ATOM 373 CG GLU A 378 -13.565 6.973 -5.383 1.00 0.00 C ATOM 374 CD GLU A 378 -14.670 8.010 -5.403 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.667 8.897 -4.524 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.537 7.937 -6.299 1.00 0.00 O ATOM 0 H GLU A 378 -9.795 8.219 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.109 5.955 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.013 8.281 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.152 8.172 -6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.728 6.258 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.612 6.415 -4.448 1.00 0.00 H new ATOM 383 N GLY A 379 -10.783 6.108 -7.913 1.00 0.00 N ATOM 384 CA GLY A 379 -10.886 5.319 -9.124 1.00 0.00 C ATOM 385 C GLY A 379 -10.073 4.044 -9.069 1.00 0.00 C ATOM 386 O GLY A 379 -10.518 2.998 -9.542 1.00 0.00 O ATOM 0 H GLY A 379 -10.355 7.026 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.932 5.069 -9.301 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.554 5.919 -9.971 1.00 0.00 H new ATOM 390 N SER A 380 -8.876 4.126 -8.500 1.00 0.00 N ATOM 391 CA SER A 380 -8.002 2.963 -8.401 1.00 0.00 C ATOM 392 C SER A 380 -8.558 1.920 -7.432 1.00 0.00 C ATOM 393 O SER A 380 -8.622 0.737 -7.754 1.00 0.00 O ATOM 394 CB SER A 380 -6.607 3.386 -7.959 1.00 0.00 C ATOM 395 OG SER A 380 -5.739 2.269 -7.862 1.00 0.00 O ATOM 0 H SER A 380 -8.490 4.982 -8.102 1.00 0.00 H new ATOM 0 HA SER A 380 -7.947 2.509 -9.390 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.200 4.105 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.665 3.889 -6.994 1.00 0.00 H new ATOM 0 HG SER A 380 -4.850 2.569 -7.578 1.00 0.00 H new ATOM 401 N CYS A 381 -8.944 2.368 -6.242 1.00 0.00 N ATOM 402 CA CYS A 381 -9.476 1.473 -5.215 1.00 0.00 C ATOM 403 C CYS A 381 -10.677 0.674 -5.715 1.00 0.00 C ATOM 404 O CYS A 381 -10.769 -0.531 -5.476 1.00 0.00 O ATOM 405 CB CYS A 381 -9.869 2.268 -3.972 1.00 0.00 C ATOM 406 SG CYS A 381 -8.483 3.151 -3.186 1.00 0.00 S ATOM 0 H CYS A 381 -8.899 3.348 -5.962 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.686 0.765 -4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.639 2.990 -4.244 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.313 1.588 -3.244 1.00 0.00 H new ATOM 411 N ASN A 382 -11.598 1.346 -6.396 1.00 0.00 N ATOM 412 CA ASN A 382 -12.796 0.689 -6.914 1.00 0.00 C ATOM 413 C ASN A 382 -12.436 -0.526 -7.760 1.00 0.00 C ATOM 414 O ASN A 382 -13.208 -1.482 -7.852 1.00 0.00 O ATOM 415 CB ASN A 382 -13.631 1.665 -7.747 1.00 0.00 C ATOM 416 CG ASN A 382 -14.032 2.910 -6.980 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.631 2.992 -5.718 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.698 3.793 -7.520 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.540 2.343 -6.603 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.383 0.356 -6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.063 1.957 -8.631 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.529 1.157 -8.099 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.986 3.691 -8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.961 4.627 -6.994 1.00 0.00 H new ATOM 425 N LYS A 383 -11.266 -0.478 -8.384 1.00 0.00 N ATOM 426 CA LYS A 383 -10.808 -1.568 -9.230 1.00 0.00 C ATOM 427 C LYS A 383 -10.211 -2.689 -8.388 1.00 0.00 C ATOM 428 O LYS A 383 -10.379 -3.870 -8.692 1.00 0.00 O ATOM 429 CB LYS A 383 -9.775 -1.047 -10.229 1.00 0.00 C ATOM 430 CG LYS A 383 -10.188 0.253 -10.904 1.00 0.00 C ATOM 431 CD LYS A 383 -11.522 0.117 -11.620 1.00 0.00 C ATOM 432 CE LYS A 383 -11.871 1.381 -12.390 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.169 1.253 -13.106 1.00 0.00 N ATOM 0 H LYS A 383 -10.617 0.306 -8.319 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.662 -1.971 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.827 -0.895 -9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.604 -1.806 -10.993 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.255 1.045 -10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.421 0.552 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.484 -0.729 -12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.306 -0.096 -10.894 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.918 2.225 -11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.080 1.599 -13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.371 2.135 -13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.116 0.464 -13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.928 1.070 -12.419 1.00 0.00 H new ATOM 447 N LYS A 384 -9.506 -2.303 -7.331 1.00 0.00 N ATOM 448 CA LYS A 384 -8.868 -3.254 -6.436 1.00 0.00 C ATOM 449 C LYS A 384 -9.898 -4.064 -5.655 1.00 0.00 C ATOM 450 O LYS A 384 -10.815 -3.502 -5.058 1.00 0.00 O ATOM 451 CB LYS A 384 -7.946 -2.502 -5.477 1.00 0.00 C ATOM 452 CG LYS A 384 -6.612 -2.079 -6.084 1.00 0.00 C ATOM 453 CD LYS A 384 -6.762 -1.457 -7.464 1.00 0.00 C ATOM 454 CE LYS A 384 -6.529 -2.476 -8.571 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.676 -1.871 -9.923 1.00 0.00 N ATOM 0 H LYS A 384 -9.362 -1.327 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.286 -3.956 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.465 -1.614 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.752 -3.133 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.126 -1.364 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.957 -2.948 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.761 -1.033 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.054 -0.635 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.530 -2.900 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.236 -3.298 -8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.491 -2.298 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.827 -0.846 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.813 -2.045 -10.477 1.00 0.00 H new ATOM 469 N ASP A 385 -9.740 -5.387 -5.658 1.00 0.00 N ATOM 470 CA ASP A 385 -10.660 -6.261 -4.940 1.00 0.00 C ATOM 471 C ASP A 385 -10.418 -6.163 -3.442 1.00 0.00 C ATOM 472 O ASP A 385 -9.719 -5.266 -2.973 1.00 0.00 O ATOM 473 CB ASP A 385 -10.497 -7.715 -5.396 1.00 0.00 C ATOM 474 CG ASP A 385 -11.693 -8.584 -5.053 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.715 -8.036 -4.585 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.614 -9.811 -5.267 1.00 0.00 O ATOM 0 H ASP A 385 -8.988 -5.872 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.677 -5.938 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.338 -7.736 -6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -9.604 -8.137 -4.934 1.00 0.00 H new ATOM 481 N GLN A 386 -10.985 -7.098 -2.699 1.00 0.00 N ATOM 482 CA GLN A 386 -10.830 -7.122 -1.249 1.00 0.00 C ATOM 483 C GLN A 386 -9.359 -7.212 -0.865 1.00 0.00 C ATOM 484 O GLN A 386 -8.866 -6.423 -0.059 1.00 0.00 O ATOM 485 CB GLN A 386 -11.602 -8.300 -0.651 1.00 0.00 C ATOM 486 CG GLN A 386 -11.571 -8.336 0.869 1.00 0.00 C ATOM 487 CD GLN A 386 -12.348 -9.507 1.440 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.662 -10.362 2.189 1.00 0.00 O flip ATOM 489 NE2 GLN A 386 -13.550 -9.640 1.210 1.00 0.00 N flip ATOM 0 H GLN A 386 -11.559 -7.853 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.236 -6.193 -0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.639 -8.252 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.186 -9.231 -1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.536 -8.392 1.207 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.984 -7.406 1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -14.037 -8.958 0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.059 -10.432 1.601 1.00 0.00 H new ATOM 498 N ASN A 387 -8.661 -8.173 -1.458 1.00 0.00 N ATOM 499 CA ASN A 387 -7.247 -8.369 -1.193 1.00 0.00 C ATOM 500 C ASN A 387 -6.420 -7.223 -1.766 1.00 0.00 C ATOM 501 O ASN A 387 -5.313 -6.951 -1.301 1.00 0.00 O ATOM 502 CB ASN A 387 -6.787 -9.699 -1.788 1.00 0.00 C ATOM 503 CG ASN A 387 -5.301 -9.922 -1.624 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.789 -9.985 -0.508 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.602 -10.040 -2.743 1.00 0.00 N ATOM 0 H ASN A 387 -9.057 -8.831 -2.129 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.098 -8.387 -0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.329 -10.515 -1.309 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.041 -9.727 -2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.594 -10.190 -2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.072 -9.981 -3.646 1.00 0.00 H new ATOM 512 N GLU A 388 -6.962 -6.556 -2.782 1.00 0.00 N ATOM 513 CA GLU A 388 -6.269 -5.445 -3.423 1.00 0.00 C ATOM 514 C GLU A 388 -6.630 -4.118 -2.770 1.00 0.00 C ATOM 515 O GLU A 388 -6.008 -3.093 -3.052 1.00 0.00 O ATOM 516 CB GLU A 388 -6.591 -5.409 -4.917 1.00 0.00 C ATOM 517 CG GLU A 388 -6.149 -6.656 -5.665 1.00 0.00 C ATOM 518 CD GLU A 388 -6.428 -6.575 -7.153 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.610 -6.436 -7.529 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.463 -6.648 -7.942 1.00 0.00 O ATOM 0 H GLU A 388 -7.878 -6.766 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.197 -5.600 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.666 -5.280 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.110 -4.538 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.082 -6.810 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.661 -7.524 -5.250 1.00 0.00 H new ATOM 527 N CYS A 389 -7.630 -4.139 -1.895 1.00 0.00 N ATOM 528 CA CYS A 389 -8.053 -2.926 -1.209 1.00 0.00 C ATOM 529 C CYS A 389 -6.878 -2.357 -0.420 1.00 0.00 C ATOM 530 O CYS A 389 -6.540 -2.848 0.657 1.00 0.00 O ATOM 531 CB CYS A 389 -9.233 -3.221 -0.280 1.00 0.00 C ATOM 532 SG CYS A 389 -10.212 -1.750 0.164 1.00 0.00 S ATOM 0 H CYS A 389 -8.158 -4.976 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.379 -2.191 -1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.887 -3.949 -0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.857 -3.684 0.633 1.00 0.00 H new ATOM 537 N LYS A 390 -6.239 -1.341 -0.987 1.00 0.00 N ATOM 538 CA LYS A 390 -5.074 -0.718 -0.372 1.00 0.00 C ATOM 539 C LYS A 390 -5.436 0.093 0.870 1.00 0.00 C ATOM 540 O LYS A 390 -6.601 0.413 1.102 1.00 0.00 O ATOM 541 CB LYS A 390 -4.348 0.140 -1.398 1.00 0.00 C ATOM 542 CG LYS A 390 -3.805 -0.677 -2.563 1.00 0.00 C ATOM 543 CD LYS A 390 -3.078 0.195 -3.571 1.00 0.00 C ATOM 544 CE LYS A 390 -2.528 -0.631 -4.723 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.574 -1.674 -4.253 1.00 0.00 N ATOM 0 H LYS A 390 -6.511 -0.928 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.408 -1.513 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.030 0.900 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.525 0.664 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.125 -1.441 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.626 -1.197 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.759 0.953 -3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.262 0.722 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.352 -1.106 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.027 0.026 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.120 -2.124 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.847 -1.235 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.088 -2.393 -3.704 1.00 0.00 H new ATOM 559 N SER A 391 -4.420 0.389 1.680 1.00 0.00 N ATOM 560 CA SER A 391 -4.606 1.128 2.927 1.00 0.00 C ATOM 561 C SER A 391 -5.394 2.427 2.728 1.00 0.00 C ATOM 562 O SER A 391 -6.439 2.604 3.355 1.00 0.00 O ATOM 563 CB SER A 391 -3.254 1.421 3.586 1.00 0.00 C ATOM 564 OG SER A 391 -3.423 2.130 4.801 1.00 0.00 O ATOM 0 H SER A 391 -3.453 0.126 1.492 1.00 0.00 H new ATOM 0 HA SER A 391 -5.197 0.492 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.729 0.485 3.777 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.632 2.002 2.905 1.00 0.00 H new ATOM 0 HG SER A 391 -2.546 2.304 5.203 1.00 0.00 H new ATOM 570 N PRO A 392 -4.927 3.364 1.868 1.00 0.00 N ATOM 571 CA PRO A 392 -5.636 4.615 1.650 1.00 0.00 C ATOM 572 C PRO A 392 -7.108 4.382 1.348 1.00 0.00 C ATOM 573 O PRO A 392 -7.961 5.202 1.688 1.00 0.00 O ATOM 574 CB PRO A 392 -4.945 5.244 0.444 1.00 0.00 C ATOM 575 CG PRO A 392 -3.645 4.555 0.277 1.00 0.00 C ATOM 576 CD PRO A 392 -3.690 3.281 1.069 1.00 0.00 C ATOM 0 HA PRO A 392 -5.607 5.249 2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.557 5.134 -0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.797 6.313 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.459 4.343 -0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -2.830 5.190 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.703 2.410 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.813 3.185 1.710 1.00 0.00 H new ATOM 584 N CYS A 393 -7.396 3.257 0.703 1.00 0.00 N ATOM 585 CA CYS A 393 -8.763 2.907 0.348 1.00 0.00 C ATOM 586 C CYS A 393 -9.597 2.636 1.597 1.00 0.00 C ATOM 587 O CYS A 393 -9.264 3.086 2.694 1.00 0.00 O ATOM 588 CB CYS A 393 -8.772 1.669 -0.551 1.00 0.00 C ATOM 589 SG CYS A 393 -7.641 1.759 -1.977 1.00 0.00 S ATOM 0 H CYS A 393 -6.698 2.571 0.415 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.200 3.749 -0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.510 0.798 0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.786 1.510 -0.918 1.00 0.00 H new ATOM 594 N LYS A 394 -10.675 1.886 1.418 1.00 0.00 N ATOM 595 CA LYS A 394 -11.561 1.530 2.520 1.00 0.00 C ATOM 596 C LYS A 394 -12.505 0.418 2.093 1.00 0.00 C ATOM 597 O LYS A 394 -13.278 0.572 1.147 1.00 0.00 O ATOM 598 CB LYS A 394 -12.359 2.751 2.987 1.00 0.00 C ATOM 599 CG LYS A 394 -13.269 2.465 4.173 1.00 0.00 C ATOM 600 CD LYS A 394 -14.048 3.699 4.598 1.00 0.00 C ATOM 601 CE LYS A 394 -13.124 4.813 5.055 1.00 0.00 C ATOM 602 NZ LYS A 394 -12.325 4.421 6.249 1.00 0.00 N ATOM 0 H LYS A 394 -10.960 1.509 0.514 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.953 1.177 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.665 3.547 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.962 3.120 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.965 1.668 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.672 2.106 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.658 4.050 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.732 3.438 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.451 5.083 4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.713 5.700 5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -11.864 5.263 6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.952 3.997 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -11.600 3.729 5.970 1.00 0.00 H new ATOM 616 N TRP A 395 -12.427 -0.709 2.790 1.00 0.00 N ATOM 617 CA TRP A 395 -13.264 -1.854 2.475 1.00 0.00 C ATOM 618 C TRP A 395 -14.692 -1.643 2.966 1.00 0.00 C ATOM 619 O TRP A 395 -14.920 -1.379 4.147 1.00 0.00 O ATOM 620 CB TRP A 395 -12.681 -3.123 3.099 1.00 0.00 C ATOM 621 CG TRP A 395 -13.415 -4.369 2.709 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.981 -5.282 3.549 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.655 -4.843 1.378 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.564 -6.293 2.824 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.375 -6.047 1.489 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.332 -4.367 0.102 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.777 -6.780 0.376 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.732 -5.096 -1.002 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.448 -6.290 -0.859 1.00 0.00 C ATOM 0 H TRP A 395 -11.793 -0.852 3.576 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.288 -1.965 1.391 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.636 -3.218 2.803 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.697 -3.026 4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.972 -5.219 4.627 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.057 -7.096 3.215 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.780 -3.446 -0.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.329 -7.702 0.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.488 -4.738 -1.991 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.747 -6.836 -1.741 1.00 0.00 H new ATOM 640 N HIS A 396 -15.652 -1.773 2.055 1.00 0.00 N ATOM 641 CA HIS A 396 -17.057 -1.606 2.405 1.00 0.00 C ATOM 642 C HIS A 396 -17.780 -2.948 2.409 1.00 0.00 C ATOM 643 O HIS A 396 -17.891 -3.611 1.373 1.00 0.00 O ATOM 644 CB HIS A 396 -17.742 -0.642 1.436 1.00 0.00 C ATOM 645 CG HIS A 396 -17.242 0.765 1.549 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.345 1.507 2.707 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.632 1.566 0.644 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.821 2.703 2.510 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.381 2.764 1.266 1.00 0.00 N ATOM 0 H HIS A 396 -15.483 -1.993 1.073 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.105 -1.186 3.410 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.589 -0.994 0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.816 -0.655 1.620 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.388 1.310 -0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.762 3.496 3.241 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -15.928 3.571 0.837 1.00 0.00 H new ATOM 658 N ASN A 397 -18.269 -3.336 3.584 1.00 0.00 N ATOM 659 CA ASN A 397 -18.987 -4.594 3.748 1.00 0.00 C ATOM 660 C ASN A 397 -20.459 -4.432 3.386 1.00 0.00 C ATOM 661 O ASN A 397 -21.057 -3.383 3.632 1.00 0.00 O ATOM 662 CB ASN A 397 -18.852 -5.102 5.186 1.00 0.00 C ATOM 663 CG ASN A 397 -19.362 -4.103 6.209 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.539 -3.744 6.212 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.473 -3.649 7.086 1.00 0.00 N ATOM 0 H ASN A 397 -18.179 -2.791 4.442 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.545 -5.326 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.403 -6.037 5.290 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.805 -5.325 5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.757 -2.976 7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.507 -3.974 7.047 1.00 0.00 H new ATOM 672 N ASP A 398 -21.033 -5.474 2.794 1.00 0.00 N ATOM 673 CA ASP A 398 -22.435 -5.454 2.388 1.00 0.00 C ATOM 674 C ASP A 398 -22.692 -4.285 1.440 1.00 0.00 C ATOM 675 O ASP A 398 -23.744 -3.649 1.478 1.00 0.00 O ATOM 676 CB ASP A 398 -23.343 -5.357 3.621 1.00 0.00 C ATOM 677 CG ASP A 398 -24.778 -5.763 3.329 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.430 -5.102 2.495 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.248 -6.748 3.937 1.00 0.00 O ATOM 0 H ASP A 398 -20.548 -6.346 2.584 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.663 -6.382 1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.944 -5.993 4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.329 -4.334 3.997 1.00 0.00 H new ATOM 684 N ALA A 399 -21.712 -4.014 0.584 1.00 0.00 N ATOM 685 CA ALA A 399 -21.813 -2.931 -0.389 1.00 0.00 C ATOM 686 C ALA A 399 -22.578 -3.391 -1.621 1.00 0.00 C ATOM 687 O ALA A 399 -22.157 -3.145 -2.752 1.00 0.00 O ATOM 688 CB ALA A 399 -20.426 -2.458 -0.779 1.00 0.00 C ATOM 0 H ALA A 399 -20.834 -4.532 0.544 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.357 -2.102 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.508 -1.650 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -19.902 -2.098 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.870 -3.286 -1.219 1.00 0.00 H new ATOM 694 N GLU A 400 -23.683 -4.096 -1.383 1.00 0.00 N ATOM 695 CA GLU A 400 -24.513 -4.648 -2.454 1.00 0.00 C ATOM 696 C GLU A 400 -23.827 -5.871 -3.045 1.00 0.00 C ATOM 697 O GLU A 400 -24.470 -6.752 -3.616 1.00 0.00 O ATOM 698 CB GLU A 400 -24.787 -3.608 -3.545 1.00 0.00 C ATOM 699 CG GLU A 400 -25.517 -2.374 -3.039 1.00 0.00 C ATOM 700 CD GLU A 400 -26.867 -2.704 -2.434 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.724 -3.253 -3.159 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.067 -2.416 -1.235 1.00 0.00 O ATOM 0 H GLU A 400 -24.028 -4.301 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.475 -4.937 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.840 -3.303 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.377 -4.070 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.901 -1.872 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.653 -1.673 -3.863 1.00 0.00 H new ATOM 709 N ASN A 401 -22.508 -5.909 -2.882 1.00 0.00 N ATOM 710 CA ASN A 401 -21.684 -7.001 -3.365 1.00 0.00 C ATOM 711 C ASN A 401 -20.228 -6.744 -2.994 1.00 0.00 C ATOM 712 O ASN A 401 -19.311 -7.178 -3.691 1.00 0.00 O ATOM 713 CB ASN A 401 -21.833 -7.151 -4.881 1.00 0.00 C ATOM 714 CG ASN A 401 -21.403 -5.912 -5.656 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.045 -4.845 -4.947 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.403 -5.913 -6.887 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.982 -5.176 -2.407 1.00 0.00 H new ATOM 0 HA ASN A 401 -22.011 -7.930 -2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.241 -8.003 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.874 -7.375 -5.116 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.684 -6.751 -7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.122 -5.076 -7.398 1.00 0.00 H new ATOM 723 N LYS A 402 -20.035 -6.022 -1.885 1.00 0.00 N ATOM 724 CA LYS A 402 -18.701 -5.679 -1.394 1.00 0.00 C ATOM 725 C LYS A 402 -17.968 -4.789 -2.394 1.00 0.00 C ATOM 726 O LYS A 402 -17.955 -5.071 -3.591 1.00 0.00 O ATOM 727 CB LYS A 402 -17.881 -6.945 -1.117 1.00 0.00 C ATOM 728 CG LYS A 402 -18.387 -7.774 0.058 1.00 0.00 C ATOM 729 CD LYS A 402 -19.738 -8.410 -0.230 1.00 0.00 C ATOM 730 CE LYS A 402 -20.214 -9.266 0.933 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.386 -8.467 2.179 1.00 0.00 N ATOM 0 H LYS A 402 -20.795 -5.662 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.819 -5.129 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.881 -7.567 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.846 -6.660 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.662 -8.554 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.466 -7.140 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -20.472 -7.630 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.668 -9.023 -1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -21.161 -9.739 0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.496 -10.067 1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.528 -9.108 2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.536 -7.890 2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -21.214 -7.845 2.081 1.00 0.00 H new ATOM 745 N LYS A 403 -17.352 -3.710 -1.907 1.00 0.00 N ATOM 746 CA LYS A 403 -16.628 -2.807 -2.799 1.00 0.00 C ATOM 747 C LYS A 403 -15.592 -1.966 -2.056 1.00 0.00 C ATOM 748 O LYS A 403 -15.854 -1.447 -0.971 1.00 0.00 O ATOM 749 CB LYS A 403 -17.601 -1.886 -3.544 1.00 0.00 C ATOM 750 CG LYS A 403 -18.235 -0.818 -2.666 1.00 0.00 C ATOM 751 CD LYS A 403 -19.251 0.013 -3.436 1.00 0.00 C ATOM 752 CE LYS A 403 -20.404 -0.840 -3.944 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.400 -0.034 -4.703 1.00 0.00 N ATOM 0 H LYS A 403 -17.340 -3.445 -0.922 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.098 -3.433 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -17.071 -1.401 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.390 -2.492 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.723 -1.290 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -17.458 -0.166 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.638 0.803 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.760 0.500 -4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.015 -1.632 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.896 -1.324 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.169 -0.652 -5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.791 0.706 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.937 0.408 -5.523 1.00 0.00 H new ATOM 767 N CYS A 404 -14.416 -1.829 -2.666 1.00 0.00 N ATOM 768 CA CYS A 404 -13.330 -1.040 -2.091 1.00 0.00 C ATOM 769 C CYS A 404 -13.291 0.350 -2.723 1.00 0.00 C ATOM 770 O CYS A 404 -13.431 0.487 -3.939 1.00 0.00 O ATOM 771 CB CYS A 404 -11.988 -1.744 -2.309 1.00 0.00 C ATOM 772 SG CYS A 404 -10.556 -0.849 -1.626 1.00 0.00 S ATOM 0 H CYS A 404 -14.191 -2.257 -3.564 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.508 -0.938 -1.021 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.032 -2.735 -1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.836 -1.888 -3.379 1.00 0.00 H new ATOM 777 N THR A 405 -13.105 1.380 -1.901 1.00 0.00 N ATOM 778 CA THR A 405 -13.054 2.754 -2.399 1.00 0.00 C ATOM 779 C THR A 405 -12.071 3.606 -1.597 1.00 0.00 C ATOM 780 O THR A 405 -11.925 3.435 -0.387 1.00 0.00 O ATOM 781 CB THR A 405 -14.443 3.421 -2.363 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.918 3.495 -1.014 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.437 2.644 -3.213 1.00 0.00 C ATOM 0 H THR A 405 -12.987 1.291 -0.892 1.00 0.00 H new ATOM 0 HA THR A 405 -12.713 2.695 -3.433 1.00 0.00 H new ATOM 0 HB THR A 405 -14.348 4.428 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.217 4.408 -0.822 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.410 3.133 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.088 2.615 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.526 1.627 -2.831 1.00 0.00 H new ATOM 791 N LEU A 406 -11.396 4.521 -2.292 1.00 0.00 N ATOM 792 CA LEU A 406 -10.417 5.404 -1.671 1.00 0.00 C ATOM 793 C LEU A 406 -11.089 6.353 -0.686 1.00 0.00 C ATOM 794 O LEU A 406 -12.207 6.815 -0.911 1.00 0.00 O ATOM 795 CB LEU A 406 -9.663 6.185 -2.749 1.00 0.00 C ATOM 796 CG LEU A 406 -8.372 6.882 -2.308 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.676 8.124 -1.491 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.480 5.923 -1.532 1.00 0.00 C ATOM 0 H LEU A 406 -11.513 4.668 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.704 4.797 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.421 5.499 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.336 6.939 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.834 7.195 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.742 8.600 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.261 8.820 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.243 7.845 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.569 6.439 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.009 5.570 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.223 5.073 -2.164 1.00 0.00 H new ATOM 810 N ASP A 407 -10.389 6.637 0.402 1.00 0.00 N ATOM 811 CA ASP A 407 -10.898 7.532 1.434 1.00 0.00 C ATOM 812 C ASP A 407 -9.921 8.676 1.686 1.00 0.00 C ATOM 813 O ASP A 407 -8.717 8.458 1.813 1.00 0.00 O ATOM 814 CB ASP A 407 -11.148 6.761 2.732 1.00 0.00 C ATOM 815 CG ASP A 407 -11.728 7.637 3.824 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.810 8.219 3.605 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.100 7.738 4.899 1.00 0.00 O ATOM 0 H ASP A 407 -9.462 6.259 0.595 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.841 7.952 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.829 5.934 2.534 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.211 6.326 3.079 1.00 0.00 H new ATOM 822 N LYS A 408 -10.446 9.895 1.746 1.00 0.00 N ATOM 823 CA LYS A 408 -9.624 11.080 1.971 1.00 0.00 C ATOM 824 C LYS A 408 -8.982 11.066 3.356 1.00 0.00 C ATOM 825 O LYS A 408 -7.808 11.402 3.508 1.00 0.00 O ATOM 826 CB LYS A 408 -10.468 12.345 1.808 1.00 0.00 C ATOM 827 CG LYS A 408 -11.059 12.509 0.418 1.00 0.00 C ATOM 828 CD LYS A 408 -11.931 13.750 0.327 1.00 0.00 C ATOM 829 CE LYS A 408 -12.470 13.951 -1.079 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.374 14.127 -2.072 1.00 0.00 N ATOM 0 H LYS A 408 -11.442 10.089 1.641 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.826 11.073 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.277 12.328 2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.852 13.215 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.255 12.573 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.650 11.628 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.762 13.664 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.353 14.625 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.081 13.093 -1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.121 14.825 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -11.765 14.509 -2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -10.665 14.787 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.925 13.208 -2.260 1.00 0.00 H new ATOM 844 N GLU A 409 -9.765 10.693 4.362 1.00 0.00 N ATOM 845 CA GLU A 409 -9.285 10.653 5.740 1.00 0.00 C ATOM 846 C GLU A 409 -8.101 9.695 5.885 1.00 0.00 C ATOM 847 O GLU A 409 -7.047 10.064 6.402 1.00 0.00 O ATOM 848 CB GLU A 409 -10.426 10.218 6.669 1.00 0.00 C ATOM 849 CG GLU A 409 -10.384 10.839 8.061 1.00 0.00 C ATOM 850 CD GLU A 409 -9.124 10.505 8.835 1.00 0.00 C ATOM 851 OE1 GLU A 409 -8.047 11.019 8.471 1.00 0.00 O ATOM 852 OE2 GLU A 409 -9.215 9.729 9.810 1.00 0.00 O ATOM 0 H GLU A 409 -10.739 10.413 4.249 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.947 11.652 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.376 10.474 6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.402 9.133 6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.468 11.922 7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.250 10.499 8.628 1.00 0.00 H new ATOM 859 N GLU A 410 -8.280 8.461 5.430 1.00 0.00 N ATOM 860 CA GLU A 410 -7.227 7.454 5.522 1.00 0.00 C ATOM 861 C GLU A 410 -6.034 7.799 4.633 1.00 0.00 C ATOM 862 O GLU A 410 -4.883 7.658 5.048 1.00 0.00 O ATOM 863 CB GLU A 410 -7.775 6.076 5.147 1.00 0.00 C ATOM 864 CG GLU A 410 -6.742 4.962 5.234 1.00 0.00 C ATOM 865 CD GLU A 410 -6.214 4.757 6.643 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.595 5.693 7.191 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.418 3.657 7.198 1.00 0.00 O ATOM 0 H GLU A 410 -9.142 8.133 4.994 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.881 7.437 6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.611 5.836 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.169 6.116 4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.186 4.032 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.910 5.192 4.569 1.00 0.00 H new ATOM 874 N ALA A 411 -6.311 8.234 3.409 1.00 0.00 N ATOM 875 CA ALA A 411 -5.256 8.580 2.461 1.00 0.00 C ATOM 876 C ALA A 411 -4.333 9.667 3.006 1.00 0.00 C ATOM 877 O ALA A 411 -3.110 9.541 2.939 1.00 0.00 O ATOM 878 CB ALA A 411 -5.860 9.020 1.137 1.00 0.00 C ATOM 0 H ALA A 411 -7.257 8.356 3.049 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.653 7.686 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.062 9.275 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.458 8.209 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.493 9.892 1.298 1.00 0.00 H new ATOM 884 N LYS A 412 -4.918 10.737 3.536 1.00 0.00 N ATOM 885 CA LYS A 412 -4.132 11.841 4.077 1.00 0.00 C ATOM 886 C LYS A 412 -3.267 11.375 5.247 1.00 0.00 C ATOM 887 O LYS A 412 -2.112 11.781 5.372 1.00 0.00 O ATOM 888 CB LYS A 412 -5.042 12.993 4.511 1.00 0.00 C ATOM 889 CG LYS A 412 -6.000 12.630 5.633 1.00 0.00 C ATOM 890 CD LYS A 412 -6.939 13.778 5.981 1.00 0.00 C ATOM 891 CE LYS A 412 -6.208 14.945 6.630 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.289 15.636 5.682 1.00 0.00 N ATOM 0 H LYS A 412 -5.928 10.863 3.602 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.472 12.201 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.423 13.831 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.618 13.333 3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.586 11.759 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.430 12.348 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.439 14.123 5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.715 13.418 6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.937 15.660 7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.638 14.583 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.291 16.657 5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.325 15.263 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.608 15.471 4.706 1.00 0.00 H new ATOM 906 N LYS A 413 -3.830 10.524 6.103 1.00 0.00 N ATOM 907 CA LYS A 413 -3.100 10.011 7.258 1.00 0.00 C ATOM 908 C LYS A 413 -1.901 9.168 6.829 1.00 0.00 C ATOM 909 O LYS A 413 -0.806 9.313 7.372 1.00 0.00 O ATOM 910 CB LYS A 413 -4.023 9.182 8.156 1.00 0.00 C ATOM 911 CG LYS A 413 -5.143 9.988 8.796 1.00 0.00 C ATOM 912 CD LYS A 413 -5.987 9.134 9.730 1.00 0.00 C ATOM 913 CE LYS A 413 -6.710 8.025 8.982 1.00 0.00 C ATOM 914 NZ LYS A 413 -7.539 7.187 9.893 1.00 0.00 N ATOM 0 H LYS A 413 -4.785 10.177 6.018 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.732 10.869 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.459 8.375 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.428 8.717 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.718 10.824 9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.777 10.412 8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -5.350 8.698 10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -6.716 9.764 10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -7.346 8.462 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -5.980 7.395 8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -7.850 6.331 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -6.975 6.915 10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -8.371 7.729 10.201 1.00 0.00 H new ATOM 928 N VAL A 414 -2.115 8.283 5.859 1.00 0.00 N ATOM 929 CA VAL A 414 -1.047 7.417 5.368 1.00 0.00 C ATOM 930 C VAL A 414 0.062 8.226 4.702 1.00 0.00 C ATOM 931 O VAL A 414 1.244 8.017 4.972 1.00 0.00 O ATOM 932 CB VAL A 414 -1.585 6.378 4.365 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.460 5.488 3.858 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.686 5.545 5.002 1.00 0.00 C ATOM 0 H VAL A 414 -3.015 8.147 5.399 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.639 6.898 6.235 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.007 6.909 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.861 4.762 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.293 6.100 3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.004 4.964 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.055 4.816 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.290 5.024 5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.504 6.197 5.310 1.00 0.00 H new ATOM 944 N ALA A 415 -0.327 9.148 3.832 1.00 0.00 N ATOM 945 CA ALA A 415 0.633 9.987 3.126 1.00 0.00 C ATOM 946 C ALA A 415 1.389 10.894 4.092 1.00 0.00 C ATOM 947 O ALA A 415 2.548 11.236 3.861 1.00 0.00 O ATOM 948 CB ALA A 415 -0.071 10.816 2.062 1.00 0.00 C ATOM 0 H ALA A 415 -1.302 9.334 3.598 1.00 0.00 H new ATOM 0 HA ALA A 415 1.358 9.334 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.659 11.438 1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.557 10.153 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.820 11.452 2.533 1.00 0.00 H new ATOM 954 N ASP A 416 0.718 11.290 5.170 1.00 0.00 N ATOM 955 CA ASP A 416 1.319 12.172 6.169 1.00 0.00 C ATOM 956 C ASP A 416 2.271 11.403 7.090 1.00 0.00 C ATOM 957 O ASP A 416 2.395 11.719 8.273 1.00 0.00 O ATOM 958 CB ASP A 416 0.221 12.849 6.993 1.00 0.00 C ATOM 959 CG ASP A 416 0.700 14.106 7.701 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.613 14.007 8.547 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.158 15.191 7.407 1.00 0.00 O ATOM 0 H ASP A 416 -0.242 11.015 5.375 1.00 0.00 H new ATOM 0 HA ASP A 416 1.900 12.932 5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.613 13.103 6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.158 12.144 7.733 1.00 0.00 H new ATOM 966 N GLU A 417 2.946 10.397 6.543 1.00 0.00 N ATOM 967 CA GLU A 417 3.885 9.598 7.321 1.00 0.00 C ATOM 968 C GLU A 417 4.698 8.666 6.425 1.00 0.00 C ATOM 969 O GLU A 417 5.080 7.570 6.831 1.00 0.00 O ATOM 970 CB GLU A 417 3.130 8.807 8.392 1.00 0.00 C ATOM 971 CG GLU A 417 2.096 7.830 7.847 1.00 0.00 C ATOM 972 CD GLU A 417 2.697 6.508 7.408 1.00 0.00 C ATOM 973 OE1 GLU A 417 3.295 5.818 8.260 1.00 0.00 O ATOM 974 OE2 GLU A 417 2.570 6.163 6.215 1.00 0.00 O ATOM 0 H GLU A 417 2.860 10.116 5.566 1.00 0.00 H new ATOM 0 HA GLU A 417 4.589 10.271 7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 417 3.852 8.254 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 417 2.631 9.509 9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.343 7.643 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.583 8.288 7.001 1.00 0.00 H new ATOM 981 N THR A 418 4.977 9.122 5.207 1.00 0.00 N ATOM 982 CA THR A 418 5.756 8.338 4.256 1.00 0.00 C ATOM 983 C THR A 418 6.185 9.192 3.065 1.00 0.00 C ATOM 984 O THR A 418 6.229 8.718 1.929 1.00 0.00 O ATOM 985 CB THR A 418 4.961 7.119 3.754 1.00 0.00 C ATOM 986 OG1 THR A 418 5.756 6.347 2.847 1.00 0.00 O ATOM 987 CG2 THR A 418 3.687 7.567 3.066 1.00 0.00 C ATOM 0 H THR A 418 4.675 10.031 4.856 1.00 0.00 H new ATOM 0 HA THR A 418 6.645 7.986 4.780 1.00 0.00 H new ATOM 0 HB THR A 418 4.700 6.500 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 418 6.258 6.949 2.258 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.136 6.694 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.071 8.127 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 418 3.936 8.203 2.216 1.00 0.00 H new ATOM 995 N ALA A 419 6.507 10.455 3.342 1.00 0.00 N ATOM 996 CA ALA A 419 6.940 11.389 2.308 1.00 0.00 C ATOM 997 C ALA A 419 7.267 12.751 2.913 1.00 0.00 C ATOM 998 O ALA A 419 8.273 13.369 2.567 1.00 0.00 O ATOM 999 CB ALA A 419 5.869 11.534 1.235 1.00 0.00 C ATOM 0 H ALA A 419 6.475 10.855 4.280 1.00 0.00 H new ATOM 0 HA ALA A 419 7.843 10.989 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 419 6.210 12.234 0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 419 5.679 10.563 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 419 4.950 11.908 1.686 1.00 0.00 H new ATOM 1005 N LYS A 420 6.405 13.210 3.817 1.00 0.00 N ATOM 1006 CA LYS A 420 6.591 14.499 4.477 1.00 0.00 C ATOM 1007 C LYS A 420 6.673 15.629 3.454 1.00 0.00 C ATOM 1008 O LYS A 420 7.509 16.525 3.567 1.00 0.00 O ATOM 1009 CB LYS A 420 7.856 14.478 5.341 1.00 0.00 C ATOM 1010 CG LYS A 420 7.803 13.467 6.474 1.00 0.00 C ATOM 1011 CD LYS A 420 9.086 13.480 7.289 1.00 0.00 C ATOM 1012 CE LYS A 420 9.015 12.507 8.455 1.00 0.00 C ATOM 1013 NZ LYS A 420 8.787 11.107 8.000 1.00 0.00 N ATOM 0 H LYS A 420 5.568 12.706 4.110 1.00 0.00 H new ATOM 0 HA LYS A 420 5.728 14.678 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 420 8.715 14.256 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 420 8.017 15.472 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.956 13.689 7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 420 7.639 12.469 6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 420 9.928 13.220 6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 420 9.270 14.487 7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 420 9.943 12.556 9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 420 8.211 12.805 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 8.930 10.455 8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 7.814 11.012 7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 9.458 10.876 7.240 1.00 0.00 H new ATOM 1027 N ASP A 421 5.797 15.576 2.456 1.00 0.00 N ATOM 1028 CA ASP A 421 5.766 16.592 1.409 1.00 0.00 C ATOM 1029 C ASP A 421 5.351 17.947 1.978 1.00 0.00 C ATOM 1030 O ASP A 421 4.372 18.047 2.718 1.00 0.00 O ATOM 1031 CB ASP A 421 4.804 16.167 0.296 1.00 0.00 C ATOM 1032 CG ASP A 421 4.803 17.128 -0.877 1.00 0.00 C ATOM 1033 OD1 ASP A 421 4.434 18.305 -0.684 1.00 0.00 O ATOM 1034 OD2 ASP A 421 5.174 16.702 -1.991 1.00 0.00 O ATOM 0 H ASP A 421 5.099 14.840 2.350 1.00 0.00 H new ATOM 0 HA ASP A 421 6.769 16.691 0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 421 5.078 15.172 -0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 421 3.795 16.095 0.702 1.00 0.00 H new ATOM 1039 N GLY A 422 6.105 18.987 1.629 1.00 0.00 N ATOM 1040 CA GLY A 422 5.804 20.324 2.113 1.00 0.00 C ATOM 1041 C GLY A 422 4.521 20.883 1.525 1.00 0.00 C ATOM 1042 O GLY A 422 4.261 20.727 0.332 1.00 0.00 O ATOM 0 H GLY A 422 6.920 18.927 1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 422 5.722 20.303 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 422 6.632 20.990 1.868 1.00 0.00 H new ATOM 1046 N LYS A 423 3.720 21.536 2.361 1.00 0.00 N ATOM 1047 CA LYS A 423 2.459 22.117 1.913 1.00 0.00 C ATOM 1048 C LYS A 423 1.866 23.035 2.979 1.00 0.00 C ATOM 1049 O LYS A 423 1.313 24.089 2.663 1.00 0.00 O ATOM 1050 CB LYS A 423 1.458 21.012 1.559 1.00 0.00 C ATOM 1051 CG LYS A 423 0.103 21.535 1.101 1.00 0.00 C ATOM 1052 CD LYS A 423 0.221 22.410 -0.139 1.00 0.00 C ATOM 1053 CE LYS A 423 0.754 21.630 -1.330 1.00 0.00 C ATOM 1054 NZ LYS A 423 0.880 22.485 -2.543 1.00 0.00 N ATOM 0 H LYS A 423 3.921 21.676 3.351 1.00 0.00 H new ATOM 0 HA LYS A 423 2.663 22.712 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 423 1.882 20.389 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 423 1.315 20.372 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -0.558 20.694 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -0.356 22.108 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -0.756 22.826 -0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 423 0.882 23.251 0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 423 1.727 21.208 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 423 0.089 20.793 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 1.246 21.916 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -0.053 22.868 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 1.535 23.269 -2.348 1.00 0.00 H new ATOM 1068 N THR A 424 1.981 22.628 4.240 1.00 0.00 N ATOM 1069 CA THR A 424 1.453 23.416 5.349 1.00 0.00 C ATOM 1070 C THR A 424 2.028 24.829 5.343 1.00 0.00 C ATOM 1071 O THR A 424 3.240 25.017 5.230 1.00 0.00 O ATOM 1072 CB THR A 424 1.763 22.752 6.706 1.00 0.00 C ATOM 1073 OG1 THR A 424 1.207 21.433 6.744 1.00 0.00 O ATOM 1074 CG2 THR A 424 1.202 23.574 7.858 1.00 0.00 C ATOM 0 H THR A 424 2.435 21.758 4.519 1.00 0.00 H new ATOM 0 HA THR A 424 0.372 23.467 5.216 1.00 0.00 H new ATOM 0 HB THR A 424 2.846 22.696 6.815 1.00 0.00 H new ATOM 0 HG1 THR A 424 1.410 21.017 7.608 1.00 0.00 H new ATOM 0 HG21 THR A 424 1.435 23.083 8.803 1.00 0.00 H new ATOM 0 HG22 THR A 424 1.648 24.569 7.846 1.00 0.00 H new ATOM 0 HG23 THR A 424 0.121 23.660 7.751 1.00 0.00 H new ATOM 1082 N GLY A 425 1.149 25.821 5.461 1.00 0.00 N ATOM 1083 CA GLY A 425 1.584 27.207 5.466 1.00 0.00 C ATOM 1084 C GLY A 425 0.422 28.181 5.461 1.00 0.00 C ATOM 1085 O GLY A 425 -0.544 28.009 6.205 1.00 0.00 O ATOM 0 H GLY A 425 0.142 25.689 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 425 2.201 27.387 6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 425 2.211 27.391 4.594 1.00 0.00 H new ATOM 1089 N ASN A 426 0.517 29.207 4.619 1.00 0.00 N ATOM 1090 CA ASN A 426 -0.534 30.214 4.513 1.00 0.00 C ATOM 1091 C ASN A 426 -1.839 29.594 4.026 1.00 0.00 C ATOM 1092 O ASN A 426 -1.839 28.745 3.133 1.00 0.00 O ATOM 1093 CB ASN A 426 -0.102 31.335 3.565 1.00 0.00 C ATOM 1094 CG ASN A 426 1.125 32.074 4.062 1.00 0.00 C ATOM 1095 OD1 ASN A 426 1.119 32.652 5.149 1.00 0.00 O ATOM 1096 ND2 ASN A 426 2.187 32.060 3.266 1.00 0.00 N ATOM 0 H ASN A 426 1.312 29.363 4.000 1.00 0.00 H new ATOM 0 HA ASN A 426 -0.702 30.631 5.506 1.00 0.00 H new ATOM 0 HB2 ASN A 426 0.105 30.915 2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -0.923 32.041 3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 426 3.042 32.541 3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 426 2.149 31.568 2.373 1.00 0.00 H new ATOM 1103 N THR A 427 -2.947 30.023 4.622 1.00 0.00 N ATOM 1104 CA THR A 427 -4.264 29.514 4.256 1.00 0.00 C ATOM 1105 C THR A 427 -4.558 29.755 2.779 1.00 0.00 C ATOM 1106 O THR A 427 -4.282 30.831 2.247 1.00 0.00 O ATOM 1107 CB THR A 427 -5.371 30.171 5.103 1.00 0.00 C ATOM 1108 OG1 THR A 427 -5.128 29.937 6.495 1.00 0.00 O ATOM 1109 CG2 THR A 427 -6.741 29.624 4.727 1.00 0.00 C ATOM 0 H THR A 427 -2.959 30.724 5.363 1.00 0.00 H new ATOM 0 HA THR A 427 -4.255 28.441 4.449 1.00 0.00 H new ATOM 0 HB THR A 427 -5.358 31.243 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.835 30.359 7.026 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.505 30.104 5.339 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.938 29.828 3.675 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.762 28.548 4.898 1.00 0.00 H new ATOM 1117 N ASN A 428 -5.128 28.744 2.126 1.00 0.00 N ATOM 1118 CA ASN A 428 -5.473 28.832 0.713 1.00 0.00 C ATOM 1119 C ASN A 428 -6.173 27.557 0.255 1.00 0.00 C ATOM 1120 O ASN A 428 -7.125 27.605 -0.526 1.00 0.00 O ATOM 1121 CB ASN A 428 -4.222 29.078 -0.135 1.00 0.00 C ATOM 1122 CG ASN A 428 -4.543 29.220 -1.611 1.00 0.00 C ATOM 1123 OD1 ASN A 428 -5.288 30.114 -2.012 1.00 0.00 O ATOM 1124 ND2 ASN A 428 -3.976 28.340 -2.427 1.00 0.00 N ATOM 0 H ASN A 428 -5.361 27.850 2.558 1.00 0.00 H new ATOM 0 HA ASN A 428 -6.153 29.673 0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 428 -3.722 29.981 0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 428 -3.524 28.253 0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 428 -4.151 28.388 -3.431 1.00 0.00 H new ATOM 0 HD22 ASN A 428 -3.365 27.615 -2.050 1.00 0.00 H new ATOM 1131 N THR A 429 -5.694 26.419 0.750 1.00 0.00 N ATOM 1132 CA THR A 429 -6.267 25.123 0.400 1.00 0.00 C ATOM 1133 C THR A 429 -6.159 24.149 1.569 1.00 0.00 C ATOM 1134 O THR A 429 -5.132 24.094 2.245 1.00 0.00 O ATOM 1135 CB THR A 429 -5.568 24.506 -0.827 1.00 0.00 C ATOM 1136 OG1 THR A 429 -4.163 24.381 -0.579 1.00 0.00 O ATOM 1137 CG2 THR A 429 -5.795 25.353 -2.070 1.00 0.00 C ATOM 0 H THR A 429 -4.907 26.369 1.397 1.00 0.00 H new ATOM 0 HA THR A 429 -7.316 25.296 0.160 1.00 0.00 H new ATOM 0 HB THR A 429 -5.997 23.519 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 429 -3.726 23.987 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 429 -5.291 24.894 -2.920 1.00 0.00 H new ATOM 0 HG22 THR A 429 -6.864 25.420 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 429 -5.394 26.353 -1.907 1.00 0.00 H new ATOM 1145 N THR A 430 -7.232 23.387 1.793 1.00 0.00 N ATOM 1146 CA THR A 430 -7.290 22.404 2.879 1.00 0.00 C ATOM 1147 C THR A 430 -7.485 23.079 4.237 1.00 0.00 C ATOM 1148 O THR A 430 -8.326 22.656 5.031 1.00 0.00 O ATOM 1149 CB THR A 430 -6.026 21.523 2.927 1.00 0.00 C ATOM 1150 OG1 THR A 430 -5.848 20.851 1.674 1.00 0.00 O ATOM 1151 CG2 THR A 430 -6.121 20.496 4.046 1.00 0.00 C ATOM 0 H THR A 430 -8.081 23.433 1.230 1.00 0.00 H new ATOM 0 HA THR A 430 -8.150 21.769 2.669 1.00 0.00 H new ATOM 0 HB THR A 430 -5.170 22.169 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 430 -5.042 20.295 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 430 -5.217 19.887 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 430 -6.227 21.008 5.002 1.00 0.00 H new ATOM 0 HG23 THR A 430 -6.987 19.856 3.880 1.00 0.00 H new ATOM 1159 N GLY A 431 -6.709 24.126 4.500 1.00 0.00 N ATOM 1160 CA GLY A 431 -6.819 24.834 5.761 1.00 0.00 C ATOM 1161 C GLY A 431 -6.233 24.048 6.917 1.00 0.00 C ATOM 1162 O GLY A 431 -5.145 23.485 6.801 1.00 0.00 O ATOM 0 H GLY A 431 -6.005 24.496 3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 431 -6.308 25.794 5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 431 -7.868 25.047 5.965 1.00 0.00 H new ATOM 1166 N SER A 432 -6.954 24.010 8.032 1.00 0.00 N ATOM 1167 CA SER A 432 -6.491 23.287 9.208 1.00 0.00 C ATOM 1168 C SER A 432 -6.345 21.800 8.904 1.00 0.00 C ATOM 1169 O SER A 432 -7.333 21.102 8.676 1.00 0.00 O ATOM 1170 CB SER A 432 -7.462 23.489 10.373 1.00 0.00 C ATOM 1171 OG SER A 432 -7.567 24.861 10.716 1.00 0.00 O ATOM 0 H SER A 432 -7.858 24.470 8.145 1.00 0.00 H new ATOM 0 HA SER A 432 -5.514 23.682 9.488 1.00 0.00 H new ATOM 0 HB2 SER A 432 -8.445 23.102 10.103 1.00 0.00 H new ATOM 0 HB3 SER A 432 -7.121 22.919 11.238 1.00 0.00 H new ATOM 0 HG SER A 432 -8.194 24.965 11.462 1.00 0.00 H new ATOM 1177 N SER A 433 -5.104 21.326 8.902 1.00 0.00 N ATOM 1178 CA SER A 433 -4.820 19.922 8.627 1.00 0.00 C ATOM 1179 C SER A 433 -5.492 19.018 9.656 1.00 0.00 C ATOM 1180 O SER A 433 -5.119 19.098 10.845 1.00 0.00 O ATOM 1181 CB SER A 433 -3.311 19.677 8.628 1.00 0.00 C ATOM 1182 OG SER A 433 -3.013 18.323 8.330 1.00 0.00 O ATOM 1183 OXT SER A 433 -6.388 18.241 9.265 1.00 0.00 O ATOM 0 H SER A 433 -4.278 21.894 9.088 1.00 0.00 H new ATOM 0 HA SER A 433 -5.221 19.683 7.642 1.00 0.00 H new ATOM 0 HB2 SER A 433 -2.833 20.327 7.895 1.00 0.00 H new ATOM 0 HB3 SER A 433 -2.898 19.937 9.602 1.00 0.00 H new ATOM 0 HG SER A 433 -2.042 18.193 8.335 1.00 0.00 H new TER 1189 SER A 433