USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=28 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= -2.16! K(o=-2.8!,f=-4.7) USER MOD Set 1.2: A 405 THR OG1 : rot 110:sc= -0.611 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.68 USER MOD Set 2.2: A 380 SER OG : rot 89:sc= -0.209 USER MOD Set 3.1: A 364 LYS NZ :NH3+ -144:sc= 0.692 (180deg=-0.271) USER MOD Set 3.2: A 365 HIS :FLIP no HD1:sc= 0.587 F(o=-2.7,f=1.3) USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot -110:sc= -1.58! USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 366 LYS NZ :NH3+ -173:sc= -3.29! (180deg=-3.76!) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 GLN : amide:sc= -2.02! C(o=-2!,f=-1.9!) USER MOD Single : A 373 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 382 ASN :FLIP amide:sc= -3.88! C(o=-6.6!,f=-3.9!) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0.134 X(o=0.13,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 166:sc= -0.0571 (180deg=-0.321) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -162:sc= 0.152 (180deg=0.0678) USER MOD Single : A 397 ASN :FLIP amide:sc= -0.332 F(o=-4.1!,f=-0.33) USER MOD Single : A 401 ASN : amide:sc= -1.81 X(o=-1.8,f=-2) USER MOD Single : A 402 LYS NZ :NH3+ 159:sc= -0.0211 (180deg=-0.373) USER MOD Single : A 403 LYS NZ :NH3+ -149:sc= -3.27! (180deg=-5.52!) USER MOD Single : A 408 LYS NZ :NH3+ 169:sc= -0.0123 (180deg=-0.209) USER MOD Single : A 412 LYS NZ :NH3+ -168:sc= -0.0145 (180deg=-0.149) USER MOD Single : A 413 LYS NZ :NH3+ -115:sc= 0.369 (180deg=-0.361) USER MOD Single : A 418 THR OG1 : rot -77:sc= 1.28 USER MOD Single : A 420 LYS NZ :NH3+ -170:sc= -0.0254 (180deg=-0.152) USER MOD Single : A 423 LYS NZ :NH3+ -143:sc= -3.43! (180deg=-6.16!) 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 X(o=0,f=0) 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= -0.0168 USER MOD Single : A 433 SER OG : rot -14:sc= 0.776 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 5.424 -15.355 -22.016 1.00 0.00 N ATOM 2 CA GLY A 354 6.514 -14.648 -21.287 1.00 0.00 C ATOM 3 C GLY A 354 6.033 -13.380 -20.609 1.00 0.00 C ATOM 4 O GLY A 354 5.354 -12.559 -21.225 1.00 0.00 O ATOM 0 HA2 GLY A 354 6.939 -15.317 -20.539 1.00 0.00 H new ATOM 0 HA3 GLY A 354 7.313 -14.402 -21.986 1.00 0.00 H new ATOM 10 N SER A 355 6.389 -13.221 -19.337 1.00 0.00 N ATOM 11 CA SER A 355 5.994 -12.043 -18.571 1.00 0.00 C ATOM 12 C SER A 355 6.672 -10.787 -19.110 1.00 0.00 C ATOM 13 O SER A 355 7.860 -10.803 -19.433 1.00 0.00 O ATOM 14 CB SER A 355 6.344 -12.228 -17.093 1.00 0.00 C ATOM 15 OG SER A 355 5.984 -11.084 -16.336 1.00 0.00 O ATOM 0 H SER A 355 6.951 -13.894 -18.815 1.00 0.00 H new ATOM 0 HA SER A 355 4.915 -11.923 -18.671 1.00 0.00 H new ATOM 0 HB2 SER A 355 5.828 -13.104 -16.701 1.00 0.00 H new ATOM 0 HB3 SER A 355 7.413 -12.415 -16.990 1.00 0.00 H new ATOM 0 HG SER A 355 6.216 -11.228 -15.395 1.00 0.00 H new ATOM 21 N HIS A 356 5.911 -9.700 -19.200 1.00 0.00 N ATOM 22 CA HIS A 356 6.441 -8.435 -19.696 1.00 0.00 C ATOM 23 C HIS A 356 7.538 -7.914 -18.769 1.00 0.00 C ATOM 24 O HIS A 356 7.400 -7.957 -17.547 1.00 0.00 O ATOM 25 CB HIS A 356 5.322 -7.395 -19.818 1.00 0.00 C ATOM 26 CG HIS A 356 4.232 -7.784 -20.773 1.00 0.00 C ATOM 27 ND1 HIS A 356 3.119 -7.001 -21.000 1.00 0.00 N ATOM 28 CD2 HIS A 356 4.086 -8.875 -21.564 1.00 0.00 C ATOM 29 CE1 HIS A 356 2.337 -7.593 -21.885 1.00 0.00 C ATOM 30 NE2 HIS A 356 2.903 -8.730 -22.244 1.00 0.00 N ATOM 0 H HIS A 356 4.926 -9.670 -18.936 1.00 0.00 H new ATOM 0 HA HIS A 356 6.869 -8.608 -20.684 1.00 0.00 H new ATOM 0 HB2 HIS A 356 4.886 -7.228 -18.833 1.00 0.00 H new ATOM 0 HB3 HIS A 356 5.754 -6.448 -20.141 1.00 0.00 H new ATOM 0 HD2 HIS A 356 4.773 -9.704 -21.644 1.00 0.00 H new ATOM 0 HE1 HIS A 356 1.396 -7.212 -22.252 1.00 0.00 H new ATOM 0 HE2 HIS A 356 2.522 -9.394 -22.918 1.00 0.00 H new ATOM 39 N MET A 357 8.627 -7.427 -19.359 1.00 0.00 N ATOM 40 CA MET A 357 9.747 -6.905 -18.583 1.00 0.00 C ATOM 41 C MET A 357 9.321 -5.706 -17.740 1.00 0.00 C ATOM 42 O MET A 357 8.539 -4.866 -18.185 1.00 0.00 O ATOM 43 CB MET A 357 10.902 -6.506 -19.507 1.00 0.00 C ATOM 44 CG MET A 357 10.559 -5.373 -20.460 1.00 0.00 C ATOM 45 SD MET A 357 11.945 -4.918 -21.523 1.00 0.00 S ATOM 46 CE MET A 357 11.241 -3.545 -22.431 1.00 0.00 C ATOM 0 H MET A 357 8.757 -7.383 -20.370 1.00 0.00 H new ATOM 0 HA MET A 357 10.084 -7.696 -17.913 1.00 0.00 H new ATOM 0 HB2 MET A 357 11.757 -6.211 -18.899 1.00 0.00 H new ATOM 0 HB3 MET A 357 11.209 -7.376 -20.087 1.00 0.00 H new ATOM 0 HG2 MET A 357 9.712 -5.668 -21.080 1.00 0.00 H new ATOM 0 HG3 MET A 357 10.245 -4.502 -19.885 1.00 0.00 H new ATOM 0 HE1 MET A 357 11.980 -3.155 -23.131 1.00 0.00 H new ATOM 0 HE2 MET A 357 10.363 -3.884 -22.981 1.00 0.00 H new ATOM 0 HE3 MET A 357 10.951 -2.759 -21.734 1.00 0.00 H new ATOM 56 N LEU A 358 9.843 -5.634 -16.518 1.00 0.00 N ATOM 57 CA LEU A 358 9.521 -4.539 -15.609 1.00 0.00 C ATOM 58 C LEU A 358 10.033 -3.210 -16.156 1.00 0.00 C ATOM 59 O LEU A 358 11.132 -3.136 -16.706 1.00 0.00 O ATOM 60 CB LEU A 358 10.126 -4.800 -14.227 1.00 0.00 C ATOM 61 CG LEU A 358 9.616 -6.057 -13.519 1.00 0.00 C ATOM 62 CD1 LEU A 358 10.362 -6.271 -12.211 1.00 0.00 C ATOM 63 CD2 LEU A 358 8.117 -5.957 -13.269 1.00 0.00 C ATOM 0 H LEU A 358 10.491 -6.322 -16.135 1.00 0.00 H new ATOM 0 HA LEU A 358 8.436 -4.482 -15.519 1.00 0.00 H new ATOM 0 HB2 LEU A 358 11.209 -4.875 -14.330 1.00 0.00 H new ATOM 0 HB3 LEU A 358 9.925 -3.938 -13.591 1.00 0.00 H new ATOM 0 HG LEU A 358 9.801 -6.916 -14.165 1.00 0.00 H new ATOM 0 HD11 LEU A 358 9.987 -7.169 -11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 358 11.427 -6.386 -12.414 1.00 0.00 H new ATOM 0 HD13 LEU A 358 10.208 -5.411 -11.559 1.00 0.00 H new ATOM 0 HD21 LEU A 358 7.771 -6.859 -12.765 1.00 0.00 H new ATOM 0 HD22 LEU A 358 7.910 -5.089 -12.643 1.00 0.00 H new ATOM 0 HD23 LEU A 358 7.596 -5.851 -14.220 1.00 0.00 H new ATOM 75 N GLU A 359 9.228 -2.161 -16.002 1.00 0.00 N ATOM 76 CA GLU A 359 9.599 -0.834 -16.479 1.00 0.00 C ATOM 77 C GLU A 359 10.900 -0.369 -15.826 1.00 0.00 C ATOM 78 O GLU A 359 11.119 -0.585 -14.634 1.00 0.00 O ATOM 79 CB GLU A 359 8.477 0.176 -16.203 1.00 0.00 C ATOM 80 CG GLU A 359 8.296 0.542 -14.733 1.00 0.00 C ATOM 81 CD GLU A 359 7.877 -0.630 -13.864 1.00 0.00 C ATOM 82 OE1 GLU A 359 8.709 -1.533 -13.638 1.00 0.00 O ATOM 83 OE2 GLU A 359 6.714 -0.643 -13.409 1.00 0.00 O ATOM 0 H GLU A 359 8.315 -2.206 -15.550 1.00 0.00 H new ATOM 0 HA GLU A 359 9.754 -0.894 -17.556 1.00 0.00 H new ATOM 0 HB2 GLU A 359 8.679 1.086 -16.768 1.00 0.00 H new ATOM 0 HB3 GLU A 359 7.539 -0.232 -16.580 1.00 0.00 H new ATOM 0 HG2 GLU A 359 9.231 0.951 -14.351 1.00 0.00 H new ATOM 0 HG3 GLU A 359 7.547 1.330 -14.653 1.00 0.00 H new ATOM 90 N VAL A 360 11.763 0.263 -16.618 1.00 0.00 N ATOM 91 CA VAL A 360 13.043 0.751 -16.115 1.00 0.00 C ATOM 92 C VAL A 360 12.843 1.760 -14.989 1.00 0.00 C ATOM 93 O VAL A 360 12.055 2.698 -15.114 1.00 0.00 O ATOM 94 CB VAL A 360 13.874 1.407 -17.236 1.00 0.00 C ATOM 95 CG1 VAL A 360 15.240 1.827 -16.715 1.00 0.00 C ATOM 96 CG2 VAL A 360 14.015 0.463 -18.419 1.00 0.00 C ATOM 0 H VAL A 360 11.599 0.448 -17.608 1.00 0.00 H new ATOM 0 HA VAL A 360 13.583 -0.115 -15.731 1.00 0.00 H new ATOM 0 HB VAL A 360 13.350 2.301 -17.574 1.00 0.00 H new ATOM 0 HG11 VAL A 360 15.811 2.288 -17.521 1.00 0.00 H new ATOM 0 HG12 VAL A 360 15.115 2.544 -15.903 1.00 0.00 H new ATOM 0 HG13 VAL A 360 15.774 0.951 -16.347 1.00 0.00 H new ATOM 0 HG21 VAL A 360 14.604 0.944 -19.200 1.00 0.00 H new ATOM 0 HG22 VAL A 360 14.515 -0.451 -18.098 1.00 0.00 H new ATOM 0 HG23 VAL A 360 13.027 0.218 -18.809 1.00 0.00 H new ATOM 106 N LEU A 361 13.560 1.558 -13.887 1.00 0.00 N ATOM 107 CA LEU A 361 13.461 2.447 -12.735 1.00 0.00 C ATOM 108 C LEU A 361 14.092 3.804 -13.030 1.00 0.00 C ATOM 109 O LEU A 361 15.169 3.884 -13.623 1.00 0.00 O ATOM 110 CB LEU A 361 14.130 1.813 -11.513 1.00 0.00 C ATOM 111 CG LEU A 361 14.062 2.644 -10.229 1.00 0.00 C ATOM 112 CD1 LEU A 361 12.615 2.877 -9.817 1.00 0.00 C ATOM 113 CD2 LEU A 361 14.831 1.959 -9.111 1.00 0.00 C ATOM 0 H LEU A 361 14.216 0.786 -13.768 1.00 0.00 H new ATOM 0 HA LEU A 361 12.403 2.601 -12.522 1.00 0.00 H new ATOM 0 HB2 LEU A 361 13.665 0.845 -11.325 1.00 0.00 H new ATOM 0 HB3 LEU A 361 15.177 1.623 -11.749 1.00 0.00 H new ATOM 0 HG LEU A 361 14.523 3.613 -10.422 1.00 0.00 H new ATOM 0 HD11 LEU A 361 12.588 3.469 -8.902 1.00 0.00 H new ATOM 0 HD12 LEU A 361 12.092 3.411 -10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 361 12.127 1.918 -9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 361 14.772 2.563 -8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 361 14.398 0.977 -8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 361 15.875 1.845 -9.404 1.00 0.00 H new ATOM 125 N THR A 362 13.412 4.867 -12.612 1.00 0.00 N ATOM 126 CA THR A 362 13.897 6.226 -12.825 1.00 0.00 C ATOM 127 C THR A 362 15.128 6.518 -11.963 1.00 0.00 C ATOM 128 O THR A 362 16.083 5.741 -11.955 1.00 0.00 O ATOM 129 CB THR A 362 12.793 7.260 -12.530 1.00 0.00 C ATOM 130 OG1 THR A 362 12.334 7.115 -11.181 1.00 0.00 O ATOM 131 CG2 THR A 362 11.626 7.095 -13.491 1.00 0.00 C ATOM 0 H THR A 362 12.519 4.813 -12.122 1.00 0.00 H new ATOM 0 HA THR A 362 14.182 6.308 -13.874 1.00 0.00 H new ATOM 0 HB THR A 362 13.213 8.257 -12.664 1.00 0.00 H new ATOM 0 HG1 THR A 362 11.423 6.754 -11.182 1.00 0.00 H new ATOM 0 HG21 THR A 362 10.859 7.836 -13.263 1.00 0.00 H new ATOM 0 HG22 THR A 362 11.974 7.236 -14.514 1.00 0.00 H new ATOM 0 HG23 THR A 362 11.206 6.095 -13.386 1.00 0.00 H new ATOM 139 N GLN A 363 15.106 7.642 -11.243 1.00 0.00 N ATOM 140 CA GLN A 363 16.224 8.032 -10.388 1.00 0.00 C ATOM 141 C GLN A 363 17.497 8.197 -11.216 1.00 0.00 C ATOM 142 O GLN A 363 18.531 7.595 -10.923 1.00 0.00 O ATOM 143 CB GLN A 363 16.440 7.001 -9.276 1.00 0.00 C ATOM 144 CG GLN A 363 17.456 7.435 -8.230 1.00 0.00 C ATOM 145 CD GLN A 363 17.662 6.396 -7.146 1.00 0.00 C ATOM 146 OE1 GLN A 363 16.720 6.007 -6.456 1.00 0.00 O ATOM 147 NE2 GLN A 363 18.900 5.943 -6.988 1.00 0.00 N ATOM 0 H GLN A 363 14.324 8.297 -11.237 1.00 0.00 H new ATOM 0 HA GLN A 363 15.984 8.990 -9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 363 15.487 6.804 -8.785 1.00 0.00 H new ATOM 0 HB3 GLN A 363 16.769 6.062 -9.722 1.00 0.00 H new ATOM 0 HG2 GLN A 363 18.409 7.638 -8.718 1.00 0.00 H new ATOM 0 HG3 GLN A 363 17.126 8.368 -7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 363 19.651 6.293 -7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 363 19.100 5.245 -6.272 1.00 0.00 H new ATOM 156 N LYS A 364 17.408 9.014 -12.260 1.00 0.00 N ATOM 157 CA LYS A 364 18.542 9.262 -13.143 1.00 0.00 C ATOM 158 C LYS A 364 18.375 10.587 -13.880 1.00 0.00 C ATOM 159 O LYS A 364 17.307 10.872 -14.423 1.00 0.00 O ATOM 160 CB LYS A 364 18.692 8.108 -14.139 1.00 0.00 C ATOM 161 CG LYS A 364 17.412 7.784 -14.896 1.00 0.00 C ATOM 162 CD LYS A 364 17.568 6.543 -15.762 1.00 0.00 C ATOM 163 CE LYS A 364 18.563 6.763 -16.889 1.00 0.00 C ATOM 164 NZ LYS A 364 18.116 7.835 -17.822 1.00 0.00 N ATOM 0 H LYS A 364 16.559 9.518 -12.516 1.00 0.00 H new ATOM 0 HA LYS A 364 19.446 9.325 -12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 364 19.474 8.358 -14.856 1.00 0.00 H new ATOM 0 HB3 LYS A 364 19.022 7.218 -13.603 1.00 0.00 H new ATOM 0 HG2 LYS A 364 16.598 7.633 -14.187 1.00 0.00 H new ATOM 0 HG3 LYS A 364 17.135 8.632 -15.522 1.00 0.00 H new ATOM 0 HD2 LYS A 364 17.897 5.708 -15.144 1.00 0.00 H new ATOM 0 HD3 LYS A 364 16.600 6.268 -16.180 1.00 0.00 H new ATOM 0 HE2 LYS A 364 19.534 7.028 -16.470 1.00 0.00 H new ATOM 0 HE3 LYS A 364 18.697 5.833 -17.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 18.392 7.587 -18.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 17.082 7.932 -17.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 18.562 8.736 -17.555 1.00 0.00 H new ATOM 178 N HIS A 365 19.443 11.390 -13.880 1.00 0.00 N ATOM 179 CA HIS A 365 19.451 12.702 -14.534 1.00 0.00 C ATOM 180 C HIS A 365 18.666 13.732 -13.724 1.00 0.00 C ATOM 181 O HIS A 365 19.149 14.838 -13.481 1.00 0.00 O ATOM 182 CB HIS A 365 18.891 12.615 -15.956 1.00 0.00 C ATOM 183 CG HIS A 365 19.719 11.769 -16.872 1.00 0.00 C ATOM 184 ND1 HIS A 365 19.408 10.654 -17.574 1.00 0.00 N flip ATOM 185 CD2 HIS A 365 21.042 12.040 -17.153 1.00 0.00 C flip ATOM 186 CE1 HIS A 365 20.537 10.276 -18.258 1.00 0.00 C flip ATOM 187 NE2 HIS A 365 21.508 11.128 -17.987 1.00 0.00 N flip ATOM 0 H HIS A 365 20.325 11.150 -13.428 1.00 0.00 H new ATOM 0 HA HIS A 365 20.490 13.028 -14.590 1.00 0.00 H new ATOM 0 HB2 HIS A 365 17.880 12.211 -15.916 1.00 0.00 H new ATOM 0 HB3 HIS A 365 18.816 13.620 -16.371 1.00 0.00 H new ATOM 0 HD2 HIS A 365 21.608 12.868 -16.754 1.00 0.00 H new ATOM 0 HE1 HIS A 365 20.617 9.420 -18.912 1.00 0.00 H new ATOM 0 HE2 HIS A 365 22.457 11.089 -18.359 1.00 0.00 H new ATOM 196 N LYS A 366 17.457 13.369 -13.307 1.00 0.00 N ATOM 197 CA LYS A 366 16.617 14.268 -12.525 1.00 0.00 C ATOM 198 C LYS A 366 17.241 14.532 -11.155 1.00 0.00 C ATOM 199 O LYS A 366 17.693 13.604 -10.484 1.00 0.00 O ATOM 200 CB LYS A 366 15.218 13.672 -12.359 1.00 0.00 C ATOM 201 CG LYS A 366 14.239 14.597 -11.656 1.00 0.00 C ATOM 202 CD LYS A 366 12.860 13.968 -11.548 1.00 0.00 C ATOM 203 CE LYS A 366 11.852 14.931 -10.940 1.00 0.00 C ATOM 204 NZ LYS A 366 12.254 15.370 -9.576 1.00 0.00 N ATOM 0 H LYS A 366 17.038 12.459 -13.498 1.00 0.00 H new ATOM 0 HA LYS A 366 16.538 15.216 -13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 366 14.822 13.418 -13.342 1.00 0.00 H new ATOM 0 HB3 LYS A 366 15.294 12.742 -11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 366 14.612 14.833 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 366 14.169 15.538 -12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 366 12.521 13.662 -12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 366 12.917 13.067 -10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 366 11.748 15.803 -11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 366 10.874 14.451 -10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 11.487 15.929 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 12.443 14.536 -8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 13.113 15.953 -9.638 1.00 0.00 H new ATOM 218 N PRO A 367 17.279 15.806 -10.719 1.00 0.00 N ATOM 219 CA PRO A 367 17.855 16.180 -9.426 1.00 0.00 C ATOM 220 C PRO A 367 16.924 15.875 -8.255 1.00 0.00 C ATOM 221 O PRO A 367 16.814 16.667 -7.318 1.00 0.00 O ATOM 222 CB PRO A 367 18.064 17.681 -9.564 1.00 0.00 C ATOM 223 CG PRO A 367 16.998 18.125 -10.500 1.00 0.00 C ATOM 224 CD PRO A 367 16.767 16.983 -11.451 1.00 0.00 C ATOM 0 HA PRO A 367 18.765 15.622 -9.208 1.00 0.00 H new ATOM 0 HB2 PRO A 367 17.979 18.183 -8.600 1.00 0.00 H new ATOM 0 HB3 PRO A 367 19.055 17.909 -9.956 1.00 0.00 H new ATOM 0 HG2 PRO A 367 16.084 18.371 -9.959 1.00 0.00 H new ATOM 0 HG3 PRO A 367 17.302 19.023 -11.038 1.00 0.00 H new ATOM 0 HD2 PRO A 367 15.710 16.874 -11.696 1.00 0.00 H new ATOM 0 HD3 PRO A 367 17.298 17.132 -12.391 1.00 0.00 H new ATOM 232 N ALA A 368 16.264 14.720 -8.310 1.00 0.00 N ATOM 233 CA ALA A 368 15.348 14.307 -7.250 1.00 0.00 C ATOM 234 C ALA A 368 14.782 12.917 -7.524 1.00 0.00 C ATOM 235 O ALA A 368 14.350 12.620 -8.638 1.00 0.00 O ATOM 236 CB ALA A 368 14.217 15.314 -7.100 1.00 0.00 C ATOM 0 H ALA A 368 16.347 14.054 -9.078 1.00 0.00 H new ATOM 0 HA ALA A 368 15.911 14.268 -6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 368 13.544 14.990 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 368 14.630 16.291 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 368 13.665 15.383 -8.037 1.00 0.00 H new ATOM 242 N GLU A 369 14.782 12.074 -6.497 1.00 0.00 N ATOM 243 CA GLU A 369 14.267 10.719 -6.617 1.00 0.00 C ATOM 244 C GLU A 369 12.772 10.736 -6.909 1.00 0.00 C ATOM 245 O GLU A 369 12.040 11.596 -6.416 1.00 0.00 O ATOM 246 CB GLU A 369 14.544 9.928 -5.336 1.00 0.00 C ATOM 247 CG GLU A 369 16.025 9.790 -5.015 1.00 0.00 C ATOM 248 CD GLU A 369 16.281 8.985 -3.755 1.00 0.00 C ATOM 249 OE1 GLU A 369 15.300 8.525 -3.133 1.00 0.00 O ATOM 250 OE2 GLU A 369 17.463 8.815 -3.391 1.00 0.00 O ATOM 0 H GLU A 369 15.135 12.309 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 369 14.777 10.232 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 369 14.044 10.418 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 369 14.107 8.934 -5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 369 16.531 9.313 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 369 16.462 10.782 -4.902 1.00 0.00 H new ATOM 257 N SER A 370 12.331 9.787 -7.724 1.00 0.00 N ATOM 258 CA SER A 370 10.923 9.683 -8.101 1.00 0.00 C ATOM 259 C SER A 370 10.017 9.704 -6.873 1.00 0.00 C ATOM 260 O SER A 370 10.255 8.989 -5.900 1.00 0.00 O ATOM 261 CB SER A 370 10.682 8.402 -8.902 1.00 0.00 C ATOM 262 OG SER A 370 9.323 8.288 -9.285 1.00 0.00 O ATOM 0 H SER A 370 12.930 9.074 -8.140 1.00 0.00 H new ATOM 0 HA SER A 370 10.679 10.547 -8.720 1.00 0.00 H new ATOM 0 HB2 SER A 370 11.315 8.400 -9.790 1.00 0.00 H new ATOM 0 HB3 SER A 370 10.968 7.537 -8.305 1.00 0.00 H new ATOM 0 HG SER A 370 9.196 7.462 -9.797 1.00 0.00 H new ATOM 268 N GLN A 371 8.980 10.534 -6.931 1.00 0.00 N ATOM 269 CA GLN A 371 8.029 10.664 -5.832 1.00 0.00 C ATOM 270 C GLN A 371 6.987 9.546 -5.864 1.00 0.00 C ATOM 271 O GLN A 371 5.785 9.807 -5.809 1.00 0.00 O ATOM 272 CB GLN A 371 7.335 12.028 -5.900 1.00 0.00 C ATOM 273 CG GLN A 371 8.297 13.204 -5.851 1.00 0.00 C ATOM 274 CD GLN A 371 7.591 14.541 -5.978 1.00 0.00 C ATOM 275 OE1 GLN A 371 6.927 14.812 -6.979 1.00 0.00 O ATOM 276 NE2 GLN A 371 7.732 15.384 -4.962 1.00 0.00 N ATOM 0 H GLN A 371 8.776 11.130 -7.733 1.00 0.00 H new ATOM 0 HA GLN A 371 8.581 10.584 -4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 371 6.752 12.084 -6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 371 6.632 12.110 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 371 8.850 13.177 -4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 371 9.027 13.105 -6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 371 8.292 15.117 -4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 371 7.281 16.298 -4.991 1.00 0.00 H new ATOM 285 N GLN A 372 7.452 8.301 -5.957 1.00 0.00 N ATOM 286 CA GLN A 372 6.553 7.151 -6.000 1.00 0.00 C ATOM 287 C GLN A 372 5.646 7.134 -4.773 1.00 0.00 C ATOM 288 O GLN A 372 6.119 7.058 -3.639 1.00 0.00 O ATOM 289 CB GLN A 372 7.366 5.851 -6.082 1.00 0.00 C ATOM 290 CG GLN A 372 6.528 4.598 -6.307 1.00 0.00 C ATOM 291 CD GLN A 372 5.690 4.213 -5.102 1.00 0.00 C ATOM 292 OE1 GLN A 372 6.219 3.947 -4.023 1.00 0.00 O ATOM 293 NE2 GLN A 372 4.375 4.181 -5.282 1.00 0.00 N ATOM 0 H GLN A 372 8.443 8.064 -6.004 1.00 0.00 H new ATOM 0 HA GLN A 372 5.926 7.231 -6.888 1.00 0.00 H new ATOM 0 HB2 GLN A 372 8.090 5.940 -6.892 1.00 0.00 H new ATOM 0 HB3 GLN A 372 7.934 5.733 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 372 5.871 4.757 -7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 372 7.188 3.769 -6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 372 3.979 4.409 -6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 372 3.760 3.928 -4.508 1.00 0.00 H new ATOM 302 N GLN A 373 4.338 7.209 -5.010 1.00 0.00 N ATOM 303 CA GLN A 373 3.363 7.207 -3.932 1.00 0.00 C ATOM 304 C GLN A 373 2.220 6.238 -4.221 1.00 0.00 C ATOM 305 O GLN A 373 1.952 5.902 -5.375 1.00 0.00 O ATOM 306 CB GLN A 373 2.812 8.615 -3.708 1.00 0.00 C ATOM 307 CG GLN A 373 2.075 9.177 -4.911 1.00 0.00 C ATOM 308 CD GLN A 373 1.586 10.594 -4.687 1.00 0.00 C ATOM 309 OE1 GLN A 373 2.376 11.502 -4.428 1.00 0.00 O ATOM 310 NE2 GLN A 373 0.277 10.791 -4.788 1.00 0.00 N ATOM 0 H GLN A 373 3.932 7.272 -5.944 1.00 0.00 H new ATOM 0 HA GLN A 373 3.870 6.875 -3.026 1.00 0.00 H new ATOM 0 HB2 GLN A 373 2.136 8.600 -2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 373 3.635 9.282 -3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 373 2.735 9.158 -5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 373 1.225 8.536 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -0.341 10.009 -5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -0.110 11.724 -4.649 1.00 0.00 H new ATOM 319 N ALA A 374 1.552 5.796 -3.160 1.00 0.00 N ATOM 320 CA ALA A 374 0.433 4.864 -3.279 1.00 0.00 C ATOM 321 C ALA A 374 -0.696 5.456 -4.118 1.00 0.00 C ATOM 322 O ALA A 374 -0.899 6.670 -4.136 1.00 0.00 O ATOM 323 CB ALA A 374 -0.081 4.481 -1.900 1.00 0.00 C ATOM 0 H ALA A 374 1.767 6.070 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 374 0.794 3.969 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -0.915 3.786 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 374 0.719 4.006 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 374 -0.417 5.376 -1.375 1.00 0.00 H new ATOM 329 N ALA A 375 -1.427 4.585 -4.815 1.00 0.00 N ATOM 330 CA ALA A 375 -2.542 5.011 -5.660 1.00 0.00 C ATOM 331 C ALA A 375 -3.768 5.355 -4.824 1.00 0.00 C ATOM 332 O ALA A 375 -4.805 4.695 -4.913 1.00 0.00 O ATOM 333 CB ALA A 375 -2.876 3.934 -6.680 1.00 0.00 C ATOM 0 H ALA A 375 -1.266 3.578 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.237 5.913 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.708 4.266 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -2.006 3.746 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -3.154 3.016 -6.162 1.00 0.00 H new ATOM 339 N GLU A 376 -3.626 6.381 -3.998 1.00 0.00 N ATOM 340 CA GLU A 376 -4.687 6.833 -3.113 1.00 0.00 C ATOM 341 C GLU A 376 -5.796 7.568 -3.858 1.00 0.00 C ATOM 342 O GLU A 376 -6.306 8.582 -3.380 1.00 0.00 O ATOM 343 CB GLU A 376 -4.086 7.759 -2.064 1.00 0.00 C ATOM 344 CG GLU A 376 -2.791 7.240 -1.461 1.00 0.00 C ATOM 345 CD GLU A 376 -2.158 8.227 -0.500 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.807 8.575 0.508 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.013 8.655 -0.757 1.00 0.00 O ATOM 0 H GLU A 376 -2.767 6.926 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 376 -5.136 5.953 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -3.901 8.734 -2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.813 7.910 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.988 6.304 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.086 7.015 -2.262 1.00 0.00 H new ATOM 354 N THR A 377 -6.176 7.053 -5.011 1.00 0.00 N ATOM 355 CA THR A 377 -7.239 7.659 -5.798 1.00 0.00 C ATOM 356 C THR A 377 -8.450 6.741 -5.866 1.00 0.00 C ATOM 357 O THR A 377 -8.314 5.520 -5.925 1.00 0.00 O ATOM 358 CB THR A 377 -6.778 7.994 -7.227 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.312 6.810 -7.885 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.673 9.040 -7.209 1.00 0.00 C ATOM 0 H THR A 377 -5.766 6.216 -5.426 1.00 0.00 H new ATOM 0 HA THR A 377 -7.510 8.588 -5.297 1.00 0.00 H new ATOM 0 HB THR A 377 -7.630 8.399 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.022 7.033 -8.794 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.364 9.260 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 377 -6.042 9.951 -6.737 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.821 8.659 -6.646 1.00 0.00 H new ATOM 368 N GLU A 378 -9.635 7.342 -5.855 1.00 0.00 N ATOM 369 CA GLU A 378 -10.878 6.583 -5.915 1.00 0.00 C ATOM 370 C GLU A 378 -10.852 5.637 -7.098 1.00 0.00 C ATOM 371 O GLU A 378 -11.313 4.499 -7.021 1.00 0.00 O ATOM 372 CB GLU A 378 -12.070 7.528 -6.044 1.00 0.00 C ATOM 373 CG GLU A 378 -13.414 6.836 -5.877 1.00 0.00 C ATOM 374 CD GLU A 378 -14.585 7.792 -6.005 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.732 8.410 -7.080 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.356 7.920 -5.030 1.00 0.00 O ATOM 0 H GLU A 378 -9.760 8.353 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.977 6.008 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.981 8.316 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.037 8.010 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.509 6.050 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.450 6.352 -4.901 1.00 0.00 H new ATOM 383 N GLY A 379 -10.309 6.135 -8.193 1.00 0.00 N ATOM 384 CA GLY A 379 -10.219 5.354 -9.406 1.00 0.00 C ATOM 385 C GLY A 379 -9.453 4.061 -9.232 1.00 0.00 C ATOM 386 O GLY A 379 -9.781 3.060 -9.866 1.00 0.00 O ATOM 0 H GLY A 379 -9.924 7.077 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.225 5.127 -9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.737 5.952 -10.180 1.00 0.00 H new ATOM 390 N SER A 380 -8.429 4.068 -8.385 1.00 0.00 N ATOM 391 CA SER A 380 -7.637 2.866 -8.168 1.00 0.00 C ATOM 392 C SER A 380 -8.335 1.903 -7.214 1.00 0.00 C ATOM 393 O SER A 380 -8.399 0.699 -7.460 1.00 0.00 O ATOM 394 CB SER A 380 -6.263 3.233 -7.625 1.00 0.00 C ATOM 395 OG SER A 380 -5.567 4.084 -8.520 1.00 0.00 O ATOM 0 H SER A 380 -8.132 4.881 -7.845 1.00 0.00 H new ATOM 0 HA SER A 380 -7.523 2.364 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.371 3.727 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.682 2.326 -7.456 1.00 0.00 H new ATOM 0 HG SER A 380 -5.787 5.018 -8.321 1.00 0.00 H new ATOM 401 N CYS A 381 -8.843 2.448 -6.117 1.00 0.00 N ATOM 402 CA CYS A 381 -9.517 1.650 -5.096 1.00 0.00 C ATOM 403 C CYS A 381 -10.732 0.906 -5.638 1.00 0.00 C ATOM 404 O CYS A 381 -10.893 -0.289 -5.388 1.00 0.00 O ATOM 405 CB CYS A 381 -9.931 2.548 -3.938 1.00 0.00 C ATOM 406 SG CYS A 381 -8.522 3.302 -3.068 1.00 0.00 S ATOM 0 H CYS A 381 -8.802 3.446 -5.909 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.809 0.895 -4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.581 3.338 -4.315 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.517 1.965 -3.228 1.00 0.00 H new ATOM 411 N ASN A 382 -11.587 1.611 -6.367 1.00 0.00 N ATOM 412 CA ASN A 382 -12.789 1.001 -6.925 1.00 0.00 C ATOM 413 C ASN A 382 -12.431 -0.228 -7.751 1.00 0.00 C ATOM 414 O ASN A 382 -13.215 -1.171 -7.855 1.00 0.00 O ATOM 415 CB ASN A 382 -13.550 2.007 -7.790 1.00 0.00 C ATOM 416 CG ASN A 382 -13.908 3.277 -7.040 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.550 3.341 -5.762 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.505 4.193 -7.604 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.473 2.601 -6.586 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.429 0.694 -6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.944 2.263 -8.659 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.462 1.541 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.762 4.105 -8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.743 5.040 -7.089 1.00 0.00 H new ATOM 425 N LYS A 383 -11.240 -0.205 -8.340 1.00 0.00 N ATOM 426 CA LYS A 383 -10.770 -1.309 -9.162 1.00 0.00 C ATOM 427 C LYS A 383 -10.210 -2.437 -8.303 1.00 0.00 C ATOM 428 O LYS A 383 -10.339 -3.613 -8.645 1.00 0.00 O ATOM 429 CB LYS A 383 -9.704 -0.815 -10.139 1.00 0.00 C ATOM 430 CG LYS A 383 -10.167 0.352 -10.998 1.00 0.00 C ATOM 431 CD LYS A 383 -11.337 -0.032 -11.891 1.00 0.00 C ATOM 432 CE LYS A 383 -10.954 -1.117 -12.886 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.099 -1.497 -13.760 1.00 0.00 N ATOM 0 H LYS A 383 -10.582 0.570 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.619 -1.701 -9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.819 -0.515 -9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.407 -1.639 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.458 1.183 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.338 0.701 -11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.166 -0.380 -11.275 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.688 0.848 -12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.126 -0.768 -13.503 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.601 -1.996 -12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.798 -2.239 -14.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.880 -1.854 -13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -12.420 -0.664 -14.294 1.00 0.00 H new ATOM 447 N LYS A 384 -9.568 -2.073 -7.197 1.00 0.00 N ATOM 448 CA LYS A 384 -8.972 -3.045 -6.305 1.00 0.00 C ATOM 449 C LYS A 384 -10.004 -3.949 -5.666 1.00 0.00 C ATOM 450 O LYS A 384 -11.159 -3.573 -5.464 1.00 0.00 O ATOM 451 CB LYS A 384 -8.168 -2.343 -5.223 1.00 0.00 C ATOM 452 CG LYS A 384 -6.995 -1.593 -5.786 1.00 0.00 C ATOM 453 CD LYS A 384 -6.067 -2.513 -6.522 1.00 0.00 C ATOM 454 CE LYS A 384 -5.543 -1.820 -7.745 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.196 -1.223 -7.527 1.00 0.00 N ATOM 0 H LYS A 384 -9.450 -1.104 -6.901 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.314 -3.670 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.815 -1.651 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.814 -3.078 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.348 -0.813 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.456 -1.097 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.240 -2.807 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.591 -3.426 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.493 -2.532 -8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.241 -1.037 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -3.878 -0.756 -8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.246 -0.524 -6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.522 -1.972 -7.269 1.00 0.00 H new ATOM 469 N ASP A 385 -9.548 -5.136 -5.330 1.00 0.00 N ATOM 470 CA ASP A 385 -10.384 -6.135 -4.676 1.00 0.00 C ATOM 471 C ASP A 385 -10.179 -6.065 -3.170 1.00 0.00 C ATOM 472 O ASP A 385 -9.370 -5.275 -2.693 1.00 0.00 O ATOM 473 CB ASP A 385 -10.057 -7.538 -5.186 1.00 0.00 C ATOM 474 CG ASP A 385 -10.322 -7.691 -6.672 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.490 -7.531 -7.085 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.363 -7.969 -7.420 1.00 0.00 O ATOM 0 H ASP A 385 -8.590 -5.441 -5.500 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.427 -5.924 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.010 -7.761 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.651 -8.269 -4.637 1.00 0.00 H new ATOM 481 N GLN A 386 -10.905 -6.891 -2.426 1.00 0.00 N ATOM 482 CA GLN A 386 -10.783 -6.905 -0.970 1.00 0.00 C ATOM 483 C GLN A 386 -9.316 -6.968 -0.552 1.00 0.00 C ATOM 484 O GLN A 386 -8.849 -6.152 0.244 1.00 0.00 O ATOM 485 CB GLN A 386 -11.544 -8.099 -0.386 1.00 0.00 C ATOM 486 CG GLN A 386 -11.500 -8.167 1.133 1.00 0.00 C ATOM 487 CD GLN A 386 -12.237 -9.370 1.685 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.906 -10.514 1.374 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.245 -9.118 2.512 1.00 0.00 N ATOM 0 H GLN A 386 -11.581 -7.556 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.216 -5.983 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.584 -8.049 -0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.127 -9.020 -0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.461 -8.200 1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.936 -7.258 1.546 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.486 -8.154 2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.778 -9.888 2.916 1.00 0.00 H new ATOM 498 N ASN A 387 -8.596 -7.935 -1.107 1.00 0.00 N ATOM 499 CA ASN A 387 -7.181 -8.112 -0.807 1.00 0.00 C ATOM 500 C ASN A 387 -6.354 -6.948 -1.348 1.00 0.00 C ATOM 501 O ASN A 387 -5.361 -6.544 -0.742 1.00 0.00 O ATOM 502 CB ASN A 387 -6.678 -9.428 -1.406 1.00 0.00 C ATOM 503 CG ASN A 387 -5.206 -9.659 -1.150 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.756 -9.663 -0.004 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.451 -9.864 -2.218 1.00 0.00 N ATOM 0 H ASN A 387 -8.972 -8.612 -1.771 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.066 -8.140 0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.250 -10.256 -0.987 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.860 -9.427 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.451 -10.035 -2.111 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.869 -9.851 -3.148 1.00 0.00 H new ATOM 512 N GLU A 388 -6.764 -6.424 -2.500 1.00 0.00 N ATOM 513 CA GLU A 388 -6.058 -5.315 -3.135 1.00 0.00 C ATOM 514 C GLU A 388 -6.462 -3.974 -2.539 1.00 0.00 C ATOM 515 O GLU A 388 -5.864 -2.946 -2.857 1.00 0.00 O ATOM 516 CB GLU A 388 -6.320 -5.315 -4.642 1.00 0.00 C ATOM 517 CG GLU A 388 -5.798 -6.553 -5.353 1.00 0.00 C ATOM 518 CD GLU A 388 -6.015 -6.498 -6.853 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.500 -5.556 -7.493 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.698 -7.396 -7.389 1.00 0.00 O ATOM 0 H GLU A 388 -7.583 -6.750 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.993 -5.456 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.393 -5.233 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.857 -4.432 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.733 -6.664 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.294 -7.436 -4.950 1.00 0.00 H new ATOM 527 N CYS A 389 -7.473 -3.980 -1.673 1.00 0.00 N ATOM 528 CA CYS A 389 -7.930 -2.747 -1.047 1.00 0.00 C ATOM 529 C CYS A 389 -6.773 -2.130 -0.269 1.00 0.00 C ATOM 530 O CYS A 389 -6.450 -2.561 0.839 1.00 0.00 O ATOM 531 CB CYS A 389 -9.129 -3.025 -0.134 1.00 0.00 C ATOM 532 SG CYS A 389 -10.168 -1.566 0.205 1.00 0.00 S ATOM 0 H CYS A 389 -7.985 -4.816 -1.393 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.258 -2.042 -1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.747 -3.798 -0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.765 -3.425 0.812 1.00 0.00 H new ATOM 537 N LYS A 390 -6.125 -1.146 -0.885 1.00 0.00 N ATOM 538 CA LYS A 390 -4.965 -0.489 -0.292 1.00 0.00 C ATOM 539 C LYS A 390 -5.330 0.380 0.908 1.00 0.00 C ATOM 540 O LYS A 390 -6.499 0.694 1.136 1.00 0.00 O ATOM 541 CB LYS A 390 -4.241 0.334 -1.351 1.00 0.00 C ATOM 542 CG LYS A 390 -3.739 -0.505 -2.517 1.00 0.00 C ATOM 543 CD LYS A 390 -2.930 0.324 -3.502 1.00 0.00 C ATOM 544 CE LYS A 390 -1.666 0.879 -2.863 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.794 -0.203 -2.328 1.00 0.00 N ATOM 0 H LYS A 390 -6.386 -0.784 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.302 -1.270 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.915 1.104 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.397 0.847 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.125 -1.322 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.587 -0.956 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.664 -0.290 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.541 1.146 -3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.112 1.461 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.936 1.560 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.149 0.183 -2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.212 -0.587 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.709 -0.961 -3.034 1.00 0.00 H new ATOM 559 N SER A 391 -4.308 0.743 1.686 1.00 0.00 N ATOM 560 CA SER A 391 -4.479 1.551 2.882 1.00 0.00 C ATOM 561 C SER A 391 -5.305 2.815 2.620 1.00 0.00 C ATOM 562 O SER A 391 -6.279 3.067 3.331 1.00 0.00 O ATOM 563 CB SER A 391 -3.111 1.918 3.450 1.00 0.00 C ATOM 564 OG SER A 391 -2.358 0.757 3.758 1.00 0.00 O ATOM 0 H SER A 391 -3.340 0.482 1.499 1.00 0.00 H new ATOM 0 HA SER A 391 -5.034 0.956 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.566 2.528 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.237 2.522 4.348 1.00 0.00 H new ATOM 0 HG SER A 391 -1.485 1.019 4.119 1.00 0.00 H new ATOM 570 N PRO A 392 -4.949 3.632 1.604 1.00 0.00 N ATOM 571 CA PRO A 392 -5.693 4.854 1.288 1.00 0.00 C ATOM 572 C PRO A 392 -7.176 4.584 1.100 1.00 0.00 C ATOM 573 O PRO A 392 -8.024 5.410 1.438 1.00 0.00 O ATOM 574 CB PRO A 392 -5.075 5.311 -0.040 1.00 0.00 C ATOM 575 CG PRO A 392 -4.331 4.131 -0.552 1.00 0.00 C ATOM 576 CD PRO A 392 -3.821 3.459 0.672 1.00 0.00 C ATOM 0 HA PRO A 392 -5.625 5.592 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.845 5.627 -0.744 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.410 6.162 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.980 3.471 -1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.516 4.430 -1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.594 2.408 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.908 3.925 1.044 1.00 0.00 H new ATOM 584 N CYS A 393 -7.471 3.424 0.533 1.00 0.00 N ATOM 585 CA CYS A 393 -8.840 3.021 0.261 1.00 0.00 C ATOM 586 C CYS A 393 -9.652 2.843 1.540 1.00 0.00 C ATOM 587 O CYS A 393 -9.310 3.378 2.596 1.00 0.00 O ATOM 588 CB CYS A 393 -8.829 1.715 -0.528 1.00 0.00 C ATOM 589 SG CYS A 393 -7.767 1.759 -2.003 1.00 0.00 S ATOM 0 H CYS A 393 -6.770 2.739 0.250 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.315 3.813 -0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.494 0.909 0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.848 1.476 -0.832 1.00 0.00 H new ATOM 594 N LYS A 394 -10.728 2.075 1.424 1.00 0.00 N ATOM 595 CA LYS A 394 -11.613 1.791 2.543 1.00 0.00 C ATOM 596 C LYS A 394 -12.599 0.705 2.143 1.00 0.00 C ATOM 597 O LYS A 394 -13.463 0.916 1.292 1.00 0.00 O ATOM 598 CB LYS A 394 -12.354 3.058 2.979 1.00 0.00 C ATOM 599 CG LYS A 394 -13.278 2.850 4.169 1.00 0.00 C ATOM 600 CD LYS A 394 -13.916 4.155 4.620 1.00 0.00 C ATOM 601 CE LYS A 394 -14.791 4.760 3.532 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.391 6.055 3.956 1.00 0.00 N ATOM 0 H LYS A 394 -11.011 1.632 0.550 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.020 1.442 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.623 3.827 3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.938 3.433 2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.058 2.136 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.715 2.415 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.516 3.977 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.136 4.865 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.196 4.913 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.585 4.059 3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.198 6.282 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.717 5.981 4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.678 6.808 3.884 1.00 0.00 H new ATOM 616 N TRP A 395 -12.439 -0.466 2.741 1.00 0.00 N ATOM 617 CA TRP A 395 -13.286 -1.605 2.430 1.00 0.00 C ATOM 618 C TRP A 395 -14.722 -1.390 2.898 1.00 0.00 C ATOM 619 O TRP A 395 -14.981 -1.243 4.092 1.00 0.00 O ATOM 620 CB TRP A 395 -12.712 -2.869 3.072 1.00 0.00 C ATOM 621 CG TRP A 395 -13.437 -4.124 2.692 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.986 -5.041 3.542 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.680 -4.608 1.366 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.563 -6.060 2.825 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.388 -5.818 1.488 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.372 -4.133 0.087 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.790 -6.560 0.380 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.771 -4.871 -1.011 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.475 -6.071 -0.858 1.00 0.00 C ATOM 0 H TRP A 395 -11.727 -0.652 3.447 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.305 -1.718 1.346 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.664 -2.966 2.788 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.739 -2.759 4.156 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.969 -4.975 4.620 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.044 -6.866 3.223 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.832 -3.206 -0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.331 -7.488 0.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.536 -4.516 -2.004 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.776 -6.623 -1.736 1.00 0.00 H new ATOM 640 N HIS A 396 -15.657 -1.404 1.949 1.00 0.00 N ATOM 641 CA HIS A 396 -17.071 -1.245 2.269 1.00 0.00 C ATOM 642 C HIS A 396 -17.723 -2.605 2.457 1.00 0.00 C ATOM 643 O HIS A 396 -17.921 -3.352 1.491 1.00 0.00 O ATOM 644 CB HIS A 396 -17.804 -0.468 1.174 1.00 0.00 C ATOM 645 CG HIS A 396 -17.517 0.999 1.179 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.752 1.808 2.270 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.024 1.807 0.213 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.418 3.051 1.976 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.974 3.077 0.733 1.00 0.00 N ATOM 0 H HIS A 396 -15.460 -1.524 0.955 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.141 -0.678 3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.528 -0.879 0.203 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.877 -0.619 1.291 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.725 1.509 -0.781 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.495 3.900 2.638 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.647 3.907 0.238 1.00 0.00 H new ATOM 658 N ASN A 397 -18.051 -2.916 3.707 1.00 0.00 N ATOM 659 CA ASN A 397 -18.680 -4.182 4.048 1.00 0.00 C ATOM 660 C ASN A 397 -20.183 -4.141 3.793 1.00 0.00 C ATOM 661 O ASN A 397 -20.819 -3.094 3.914 1.00 0.00 O ATOM 662 CB ASN A 397 -18.401 -4.549 5.510 1.00 0.00 C ATOM 663 CG ASN A 397 -18.849 -3.484 6.502 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.356 -2.360 6.003 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -18.735 -3.671 7.714 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.889 -2.301 4.505 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.248 -4.949 3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.906 -5.486 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.332 -4.723 5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.341 -4.546 8.060 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.034 -2.951 8.372 1.00 0.00 H new ATOM 672 N ASP A 398 -20.738 -5.293 3.436 1.00 0.00 N ATOM 673 CA ASP A 398 -22.164 -5.415 3.160 1.00 0.00 C ATOM 674 C ASP A 398 -22.581 -4.536 1.984 1.00 0.00 C ATOM 675 O ASP A 398 -23.726 -4.089 1.910 1.00 0.00 O ATOM 676 CB ASP A 398 -22.983 -5.055 4.404 1.00 0.00 C ATOM 677 CG ASP A 398 -22.679 -5.963 5.581 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.848 -6.882 5.424 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.274 -5.756 6.659 1.00 0.00 O ATOM 0 H ASP A 398 -20.216 -6.163 3.330 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.362 -6.453 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.778 -4.022 4.684 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.045 -5.116 4.166 1.00 0.00 H new ATOM 684 N ALA A 399 -21.657 -4.313 1.053 1.00 0.00 N ATOM 685 CA ALA A 399 -21.953 -3.514 -0.131 1.00 0.00 C ATOM 686 C ALA A 399 -22.896 -4.289 -1.042 1.00 0.00 C ATOM 687 O ALA A 399 -23.302 -5.402 -0.706 1.00 0.00 O ATOM 688 CB ALA A 399 -20.666 -3.151 -0.870 1.00 0.00 C ATOM 0 H ALA A 399 -20.703 -4.672 1.095 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.436 -2.586 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.908 -2.555 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.017 -2.576 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.154 -4.063 -1.178 1.00 0.00 H new ATOM 694 N GLU A 400 -23.231 -3.723 -2.198 1.00 0.00 N ATOM 695 CA GLU A 400 -24.110 -4.412 -3.138 1.00 0.00 C ATOM 696 C GLU A 400 -23.549 -5.802 -3.403 1.00 0.00 C ATOM 697 O GLU A 400 -24.287 -6.775 -3.560 1.00 0.00 O ATOM 698 CB GLU A 400 -24.227 -3.628 -4.447 1.00 0.00 C ATOM 699 CG GLU A 400 -24.830 -2.243 -4.277 1.00 0.00 C ATOM 700 CD GLU A 400 -24.925 -1.481 -5.584 1.00 0.00 C ATOM 701 OE1 GLU A 400 -25.615 -1.967 -6.506 1.00 0.00 O ATOM 702 OE2 GLU A 400 -24.312 -0.398 -5.687 1.00 0.00 O ATOM 0 H GLU A 400 -22.913 -2.803 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.108 -4.491 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.237 -3.531 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.838 -4.197 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.825 -2.336 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.226 -1.672 -3.572 1.00 0.00 H new ATOM 709 N ASN A 401 -22.223 -5.865 -3.419 1.00 0.00 N ATOM 710 CA ASN A 401 -21.480 -7.100 -3.631 1.00 0.00 C ATOM 711 C ASN A 401 -20.068 -6.907 -3.100 1.00 0.00 C ATOM 712 O ASN A 401 -19.097 -7.393 -3.684 1.00 0.00 O ATOM 713 CB ASN A 401 -21.424 -7.447 -5.120 1.00 0.00 C ATOM 714 CG ASN A 401 -22.798 -7.554 -5.748 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.520 -8.528 -5.537 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.176 -6.527 -6.497 1.00 0.00 N ATOM 0 H ASN A 401 -21.626 -5.049 -3.283 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.977 -7.917 -3.108 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.848 -6.685 -5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.896 -8.392 -5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.101 -6.522 -6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.542 -5.742 -6.643 1.00 0.00 H new ATOM 723 N LYS A 402 -19.971 -6.155 -2.002 1.00 0.00 N ATOM 724 CA LYS A 402 -18.686 -5.833 -1.382 1.00 0.00 C ATOM 725 C LYS A 402 -17.902 -4.917 -2.313 1.00 0.00 C ATOM 726 O LYS A 402 -17.779 -5.205 -3.504 1.00 0.00 O ATOM 727 CB LYS A 402 -17.881 -7.103 -1.079 1.00 0.00 C ATOM 728 CG LYS A 402 -18.455 -7.958 0.045 1.00 0.00 C ATOM 729 CD LYS A 402 -19.812 -8.544 -0.316 1.00 0.00 C ATOM 730 CE LYS A 402 -20.371 -9.394 0.813 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.544 -8.610 2.067 1.00 0.00 N ATOM 0 H LYS A 402 -20.776 -5.755 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.868 -5.327 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.823 -7.706 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.861 -6.819 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.761 -8.767 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.550 -7.354 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -20.509 -7.737 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.719 -9.150 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -21.331 -9.812 0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.702 -10.234 1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -21.231 -9.089 2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.631 -8.535 2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -20.891 -7.657 1.836 1.00 0.00 H new ATOM 745 N LYS A 403 -17.391 -3.796 -1.799 1.00 0.00 N ATOM 746 CA LYS A 403 -16.661 -2.876 -2.667 1.00 0.00 C ATOM 747 C LYS A 403 -15.628 -2.026 -1.927 1.00 0.00 C ATOM 748 O LYS A 403 -15.888 -1.506 -0.844 1.00 0.00 O ATOM 749 CB LYS A 403 -17.646 -1.965 -3.406 1.00 0.00 C ATOM 750 CG LYS A 403 -18.439 -1.044 -2.491 1.00 0.00 C ATOM 751 CD LYS A 403 -19.468 -0.226 -3.263 1.00 0.00 C ATOM 752 CE LYS A 403 -20.656 -1.070 -3.709 1.00 0.00 C ATOM 753 NZ LYS A 403 -20.270 -2.128 -4.685 1.00 0.00 N ATOM 0 H LYS A 403 -17.465 -3.512 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.107 -3.494 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -17.096 -1.360 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.341 -2.583 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.944 -1.637 -1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -17.756 -0.372 -1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.821 0.594 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.993 0.221 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.115 -1.535 -2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.409 -0.423 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.064 -2.310 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.444 -1.811 -5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.032 -3.002 -4.174 1.00 0.00 H new ATOM 767 N CYS A 404 -14.459 -1.876 -2.552 1.00 0.00 N ATOM 768 CA CYS A 404 -13.369 -1.071 -2.000 1.00 0.00 C ATOM 769 C CYS A 404 -13.342 0.303 -2.670 1.00 0.00 C ATOM 770 O CYS A 404 -13.461 0.400 -3.891 1.00 0.00 O ATOM 771 CB CYS A 404 -12.024 -1.775 -2.216 1.00 0.00 C ATOM 772 SG CYS A 404 -10.577 -0.821 -1.646 1.00 0.00 S ATOM 0 H CYS A 404 -14.242 -2.307 -3.451 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.537 -0.947 -0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.041 -2.733 -1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.907 -1.991 -3.278 1.00 0.00 H new ATOM 777 N THR A 405 -13.188 1.362 -1.877 1.00 0.00 N ATOM 778 CA THR A 405 -13.151 2.720 -2.423 1.00 0.00 C ATOM 779 C THR A 405 -12.200 3.618 -1.641 1.00 0.00 C ATOM 780 O THR A 405 -12.035 3.469 -0.431 1.00 0.00 O ATOM 781 CB THR A 405 -14.545 3.372 -2.436 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.041 3.492 -1.098 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.520 2.560 -3.275 1.00 0.00 C ATOM 0 H THR A 405 -13.088 1.309 -0.863 1.00 0.00 H new ATOM 0 HA THR A 405 -12.793 2.620 -3.448 1.00 0.00 H new ATOM 0 HB THR A 405 -14.452 4.363 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.052 4.436 -0.837 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.497 3.043 -3.267 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.154 2.498 -4.300 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.608 1.556 -2.860 1.00 0.00 H new ATOM 791 N LEU A 406 -11.576 4.550 -2.354 1.00 0.00 N ATOM 792 CA LEU A 406 -10.631 5.486 -1.761 1.00 0.00 C ATOM 793 C LEU A 406 -11.311 6.380 -0.736 1.00 0.00 C ATOM 794 O LEU A 406 -12.461 6.784 -0.904 1.00 0.00 O ATOM 795 CB LEU A 406 -9.982 6.326 -2.863 1.00 0.00 C ATOM 796 CG LEU A 406 -8.799 7.204 -2.442 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.275 8.502 -1.811 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.882 6.454 -1.490 1.00 0.00 C ATOM 0 H LEU A 406 -11.712 4.677 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.859 4.919 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.645 5.653 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.747 6.969 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.234 7.453 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.413 9.104 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.880 9.055 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.874 8.279 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.049 7.097 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.440 6.166 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.498 5.561 -1.983 1.00 0.00 H new ATOM 810 N ASP A 407 -10.580 6.684 0.327 1.00 0.00 N ATOM 811 CA ASP A 407 -11.088 7.533 1.397 1.00 0.00 C ATOM 812 C ASP A 407 -10.101 8.654 1.701 1.00 0.00 C ATOM 813 O ASP A 407 -8.897 8.423 1.796 1.00 0.00 O ATOM 814 CB ASP A 407 -11.347 6.704 2.656 1.00 0.00 C ATOM 815 CG ASP A 407 -11.896 7.538 3.796 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.968 8.154 3.619 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.255 7.574 4.868 1.00 0.00 O ATOM 0 H ASP A 407 -9.626 6.353 0.472 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.029 7.976 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.051 5.905 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.418 6.229 2.972 1.00 0.00 H new ATOM 822 N LYS A 408 -10.618 9.870 1.841 1.00 0.00 N ATOM 823 CA LYS A 408 -9.782 11.031 2.123 1.00 0.00 C ATOM 824 C LYS A 408 -9.099 10.913 3.482 1.00 0.00 C ATOM 825 O LYS A 408 -7.915 11.217 3.618 1.00 0.00 O ATOM 826 CB LYS A 408 -10.619 12.312 2.065 1.00 0.00 C ATOM 827 CG LYS A 408 -11.331 12.511 0.735 1.00 0.00 C ATOM 828 CD LYS A 408 -10.347 12.593 -0.422 1.00 0.00 C ATOM 829 CE LYS A 408 -11.063 12.729 -1.756 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.915 13.950 -1.809 1.00 0.00 N ATOM 0 H LYS A 408 -11.614 10.077 1.764 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.005 11.074 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.359 12.290 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.972 13.169 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.024 11.687 0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.925 13.424 0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.683 13.445 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.722 11.700 -0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -10.328 12.764 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.681 11.848 -1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.236 14.107 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.741 13.824 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.364 14.772 -1.489 1.00 0.00 H new ATOM 844 N GLU A 409 -9.852 10.475 4.487 1.00 0.00 N ATOM 845 CA GLU A 409 -9.317 10.323 5.835 1.00 0.00 C ATOM 846 C GLU A 409 -8.175 9.310 5.863 1.00 0.00 C ATOM 847 O GLU A 409 -7.144 9.539 6.495 1.00 0.00 O ATOM 848 CB GLU A 409 -10.427 9.887 6.792 1.00 0.00 C ATOM 849 CG GLU A 409 -9.961 9.736 8.229 1.00 0.00 C ATOM 850 CD GLU A 409 -11.077 9.315 9.167 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.221 9.151 8.694 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.806 9.149 10.374 1.00 0.00 O ATOM 0 H GLU A 409 -10.835 10.219 4.393 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.923 11.288 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.236 10.617 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.839 8.938 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.160 8.998 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.542 10.682 8.572 1.00 0.00 H new ATOM 859 N GLU A 410 -8.367 8.190 5.178 1.00 0.00 N ATOM 860 CA GLU A 410 -7.355 7.142 5.126 1.00 0.00 C ATOM 861 C GLU A 410 -6.143 7.590 4.315 1.00 0.00 C ATOM 862 O GLU A 410 -5.003 7.308 4.681 1.00 0.00 O ATOM 863 CB GLU A 410 -7.942 5.863 4.524 1.00 0.00 C ATOM 864 CG GLU A 410 -9.096 5.286 5.327 1.00 0.00 C ATOM 865 CD GLU A 410 -8.692 4.906 6.738 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.793 4.051 6.888 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.272 5.463 7.693 1.00 0.00 O ATOM 0 H GLU A 410 -9.215 7.984 4.650 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.030 6.939 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.285 6.072 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.154 5.114 4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.905 6.015 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.486 4.406 4.815 1.00 0.00 H new ATOM 874 N ALA A 411 -6.396 8.283 3.210 1.00 0.00 N ATOM 875 CA ALA A 411 -5.325 8.764 2.343 1.00 0.00 C ATOM 876 C ALA A 411 -4.398 9.722 3.081 1.00 0.00 C ATOM 877 O ALA A 411 -3.177 9.575 3.034 1.00 0.00 O ATOM 878 CB ALA A 411 -5.906 9.433 1.108 1.00 0.00 C ATOM 0 H ALA A 411 -7.335 8.525 2.893 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.733 7.903 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.096 9.787 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.514 8.715 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.526 10.278 1.409 1.00 0.00 H new ATOM 884 N LYS A 412 -4.980 10.703 3.764 1.00 0.00 N ATOM 885 CA LYS A 412 -4.193 11.676 4.511 1.00 0.00 C ATOM 886 C LYS A 412 -3.411 10.989 5.624 1.00 0.00 C ATOM 887 O LYS A 412 -2.290 11.385 5.943 1.00 0.00 O ATOM 888 CB LYS A 412 -5.093 12.773 5.088 1.00 0.00 C ATOM 889 CG LYS A 412 -6.141 12.263 6.065 1.00 0.00 C ATOM 890 CD LYS A 412 -7.057 13.381 6.544 1.00 0.00 C ATOM 891 CE LYS A 412 -6.285 14.467 7.279 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.601 13.936 8.490 1.00 0.00 N ATOM 0 H LYS A 412 -5.989 10.844 3.815 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.484 12.140 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.470 13.512 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.595 13.286 4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.736 11.485 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.647 11.805 6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.575 13.818 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.821 12.968 7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.547 14.906 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.968 15.266 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.259 14.728 9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.270 13.364 9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.795 13.345 8.202 1.00 0.00 H new ATOM 906 N LYS A 413 -4.007 9.953 6.208 1.00 0.00 N ATOM 907 CA LYS A 413 -3.375 9.201 7.276 1.00 0.00 C ATOM 908 C LYS A 413 -2.149 8.446 6.765 1.00 0.00 C ATOM 909 O LYS A 413 -1.089 8.465 7.393 1.00 0.00 O ATOM 910 CB LYS A 413 -4.391 8.228 7.874 1.00 0.00 C ATOM 911 CG LYS A 413 -3.783 7.227 8.830 1.00 0.00 C ATOM 912 CD LYS A 413 -3.238 7.901 10.079 1.00 0.00 C ATOM 913 CE LYS A 413 -2.640 6.891 11.043 1.00 0.00 C ATOM 914 NZ LYS A 413 -1.507 6.142 10.433 1.00 0.00 N ATOM 0 H LYS A 413 -4.936 9.617 5.953 1.00 0.00 H new ATOM 0 HA LYS A 413 -3.038 9.895 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -5.160 8.796 8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.886 7.691 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.535 6.491 9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -2.980 6.686 8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -2.478 8.630 9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -4.038 8.450 10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -2.294 7.406 11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -3.412 6.188 11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -1.761 5.137 10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -1.303 6.529 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -0.664 6.236 11.035 1.00 0.00 H new ATOM 928 N VAL A 414 -2.303 7.782 5.623 1.00 0.00 N ATOM 929 CA VAL A 414 -1.213 7.019 5.021 1.00 0.00 C ATOM 930 C VAL A 414 -0.086 7.939 4.564 1.00 0.00 C ATOM 931 O VAL A 414 1.091 7.629 4.739 1.00 0.00 O ATOM 932 CB VAL A 414 -1.703 6.184 3.824 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.560 5.382 3.219 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.838 5.265 4.247 1.00 0.00 C ATOM 0 H VAL A 414 -3.175 7.757 5.094 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.836 6.344 5.790 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.077 6.867 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.931 4.800 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.220 6.062 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.150 4.709 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.173 4.682 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.488 4.592 5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.668 5.862 4.626 1.00 0.00 H new ATOM 944 N ALA A 415 -0.454 9.069 3.975 1.00 0.00 N ATOM 945 CA ALA A 415 0.525 10.034 3.493 1.00 0.00 C ATOM 946 C ALA A 415 1.260 10.692 4.656 1.00 0.00 C ATOM 947 O ALA A 415 2.451 10.992 4.565 1.00 0.00 O ATOM 948 CB ALA A 415 -0.152 11.088 2.631 1.00 0.00 C ATOM 0 H ALA A 415 -1.425 9.340 3.819 1.00 0.00 H new ATOM 0 HA ALA A 415 1.257 9.501 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.592 11.802 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.628 10.608 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.906 11.611 3.220 1.00 0.00 H new ATOM 954 N ASP A 416 0.537 10.920 5.749 1.00 0.00 N ATOM 955 CA ASP A 416 1.110 11.552 6.934 1.00 0.00 C ATOM 956 C ASP A 416 1.913 10.551 7.765 1.00 0.00 C ATOM 957 O ASP A 416 1.920 10.610 8.995 1.00 0.00 O ATOM 958 CB ASP A 416 0.000 12.168 7.786 1.00 0.00 C ATOM 959 CG ASP A 416 0.537 13.000 8.934 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.249 13.991 8.668 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.245 12.662 10.100 1.00 0.00 O ATOM 0 H ASP A 416 -0.449 10.676 5.839 1.00 0.00 H new ATOM 0 HA ASP A 416 1.790 12.337 6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.633 12.792 7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.631 11.373 8.183 1.00 0.00 H new ATOM 966 N GLU A 417 2.592 9.635 7.087 1.00 0.00 N ATOM 967 CA GLU A 417 3.403 8.628 7.766 1.00 0.00 C ATOM 968 C GLU A 417 4.382 7.965 6.801 1.00 0.00 C ATOM 969 O GLU A 417 5.545 7.742 7.141 1.00 0.00 O ATOM 970 CB GLU A 417 2.509 7.571 8.418 1.00 0.00 C ATOM 971 CG GLU A 417 1.706 6.747 7.425 1.00 0.00 C ATOM 972 CD GLU A 417 0.828 5.709 8.099 1.00 0.00 C ATOM 973 OE1 GLU A 417 1.371 4.855 8.830 1.00 0.00 O ATOM 974 OE2 GLU A 417 -0.403 5.749 7.891 1.00 0.00 O ATOM 0 H GLU A 417 2.599 9.567 6.069 1.00 0.00 H new ATOM 0 HA GLU A 417 3.979 9.132 8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 417 3.130 6.901 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 417 1.822 8.064 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.082 7.412 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 417 2.389 6.248 6.737 1.00 0.00 H new ATOM 981 N THR A 418 3.908 7.653 5.597 1.00 0.00 N ATOM 982 CA THR A 418 4.746 7.017 4.585 1.00 0.00 C ATOM 983 C THR A 418 5.652 8.037 3.898 1.00 0.00 C ATOM 984 O THR A 418 5.786 8.035 2.673 1.00 0.00 O ATOM 985 CB THR A 418 3.898 6.298 3.519 1.00 0.00 C ATOM 986 OG1 THR A 418 3.023 7.231 2.875 1.00 0.00 O ATOM 987 CG2 THR A 418 3.079 5.175 4.142 1.00 0.00 C ATOM 0 H THR A 418 2.949 7.830 5.299 1.00 0.00 H new ATOM 0 HA THR A 418 5.360 6.281 5.104 1.00 0.00 H new ATOM 0 HB THR A 418 4.575 5.867 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 418 2.268 7.433 3.466 1.00 0.00 H new ATOM 0 HG21 THR A 418 2.489 4.683 3.369 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.749 4.450 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.413 5.588 4.899 1.00 0.00 H new ATOM 995 N ALA A 419 6.270 8.906 4.693 1.00 0.00 N ATOM 996 CA ALA A 419 7.162 9.930 4.163 1.00 0.00 C ATOM 997 C ALA A 419 7.921 10.627 5.287 1.00 0.00 C ATOM 998 O ALA A 419 9.147 10.732 5.247 1.00 0.00 O ATOM 999 CB ALA A 419 6.372 10.946 3.351 1.00 0.00 C ATOM 0 H ALA A 419 6.169 8.921 5.708 1.00 0.00 H new ATOM 0 HA ALA A 419 7.889 9.445 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 419 7.049 11.706 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 419 5.875 10.442 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 419 5.625 11.419 3.988 1.00 0.00 H new ATOM 1005 N LYS A 420 7.182 11.096 6.290 1.00 0.00 N ATOM 1006 CA LYS A 420 7.780 11.779 7.434 1.00 0.00 C ATOM 1007 C LYS A 420 8.665 12.939 6.980 1.00 0.00 C ATOM 1008 O LYS A 420 9.813 13.061 7.409 1.00 0.00 O ATOM 1009 CB LYS A 420 8.595 10.794 8.275 1.00 0.00 C ATOM 1010 CG LYS A 420 7.787 9.600 8.765 1.00 0.00 C ATOM 1011 CD LYS A 420 8.607 8.697 9.676 1.00 0.00 C ATOM 1012 CE LYS A 420 9.825 8.130 8.964 1.00 0.00 C ATOM 1013 NZ LYS A 420 9.448 7.323 7.770 1.00 0.00 N ATOM 0 H LYS A 420 6.166 11.015 6.333 1.00 0.00 H new ATOM 0 HA LYS A 420 6.973 12.184 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 420 9.438 10.435 7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 420 9.010 11.319 9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.906 9.953 9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 420 7.431 9.026 7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 420 8.928 9.260 10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 420 7.982 7.879 10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 420 10.479 8.947 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 420 10.393 7.509 9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 10.285 6.818 7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 8.715 6.635 8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 9.081 7.952 7.028 1.00 0.00 H new ATOM 1027 N ASP A 421 8.126 13.786 6.107 1.00 0.00 N ATOM 1028 CA ASP A 421 8.866 14.935 5.592 1.00 0.00 C ATOM 1029 C ASP A 421 9.079 15.977 6.697 1.00 0.00 C ATOM 1030 O ASP A 421 9.362 15.624 7.841 1.00 0.00 O ATOM 1031 CB ASP A 421 8.117 15.542 4.399 1.00 0.00 C ATOM 1032 CG ASP A 421 8.976 16.498 3.592 1.00 0.00 C ATOM 1033 OD1 ASP A 421 10.039 16.068 3.096 1.00 0.00 O ATOM 1034 OD2 ASP A 421 8.584 17.676 3.454 1.00 0.00 O ATOM 0 H ASP A 421 7.178 13.698 5.741 1.00 0.00 H new ATOM 0 HA ASP A 421 9.848 14.604 5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 421 7.765 14.740 3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 421 7.234 16.070 4.760 1.00 0.00 H new ATOM 1039 N GLY A 422 8.940 17.258 6.357 1.00 0.00 N ATOM 1040 CA GLY A 422 9.123 18.312 7.338 1.00 0.00 C ATOM 1041 C GLY A 422 9.192 19.688 6.704 1.00 0.00 C ATOM 1042 O GLY A 422 10.045 20.502 7.060 1.00 0.00 O ATOM 0 H GLY A 422 8.704 17.583 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 422 8.301 18.286 8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 422 10.039 18.127 7.899 1.00 0.00 H new ATOM 1046 N LYS A 423 8.295 19.944 5.757 1.00 0.00 N ATOM 1047 CA LYS A 423 8.254 21.226 5.062 1.00 0.00 C ATOM 1048 C LYS A 423 7.944 22.367 6.026 1.00 0.00 C ATOM 1049 O LYS A 423 8.618 23.397 6.020 1.00 0.00 O ATOM 1050 CB LYS A 423 7.204 21.185 3.950 1.00 0.00 C ATOM 1051 CG LYS A 423 7.088 22.485 3.171 1.00 0.00 C ATOM 1052 CD LYS A 423 5.988 22.423 2.116 1.00 0.00 C ATOM 1053 CE LYS A 423 4.596 22.394 2.738 1.00 0.00 C ATOM 1054 NZ LYS A 423 4.333 21.135 3.488 1.00 0.00 N ATOM 0 H LYS A 423 7.585 19.278 5.453 1.00 0.00 H new ATOM 0 HA LYS A 423 9.237 21.406 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 423 7.450 20.379 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 423 6.234 20.946 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 423 6.883 23.304 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.041 22.705 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 423 6.071 23.286 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 423 6.127 21.535 1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 423 4.484 23.244 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 423 3.848 22.509 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 3.341 20.852 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 4.958 20.383 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 4.515 21.289 4.500 1.00 0.00 H new ATOM 1068 N THR A 424 6.917 22.179 6.848 1.00 0.00 N ATOM 1069 CA THR A 424 6.511 23.194 7.814 1.00 0.00 C ATOM 1070 C THR A 424 7.607 23.449 8.845 1.00 0.00 C ATOM 1071 O THR A 424 7.953 24.598 9.124 1.00 0.00 O ATOM 1072 CB THR A 424 5.218 22.785 8.544 1.00 0.00 C ATOM 1073 OG1 THR A 424 4.166 22.573 7.596 1.00 0.00 O ATOM 1074 CG2 THR A 424 4.797 23.853 9.543 1.00 0.00 C ATOM 0 H THR A 424 6.350 21.332 6.865 1.00 0.00 H new ATOM 0 HA THR A 424 6.330 24.110 7.252 1.00 0.00 H new ATOM 0 HB THR A 424 5.412 21.859 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 424 3.348 22.312 8.068 1.00 0.00 H new ATOM 0 HG21 THR A 424 3.882 23.541 10.045 1.00 0.00 H new ATOM 0 HG22 THR A 424 5.587 23.992 10.281 1.00 0.00 H new ATOM 0 HG23 THR A 424 4.621 24.792 9.019 1.00 0.00 H new ATOM 1082 N GLY A 425 8.145 22.373 9.413 1.00 0.00 N ATOM 1083 CA GLY A 425 9.190 22.502 10.412 1.00 0.00 C ATOM 1084 C GLY A 425 8.722 23.269 11.635 1.00 0.00 C ATOM 1085 O GLY A 425 7.573 23.130 12.055 1.00 0.00 O ATOM 0 H GLY A 425 7.875 21.413 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 425 9.526 21.510 10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 425 10.049 23.010 9.973 1.00 0.00 H new ATOM 1089 N ASN A 426 9.609 24.082 12.203 1.00 0.00 N ATOM 1090 CA ASN A 426 9.273 24.874 13.381 1.00 0.00 C ATOM 1091 C ASN A 426 10.394 25.855 13.718 1.00 0.00 C ATOM 1092 O ASN A 426 11.569 25.490 13.724 1.00 0.00 O ATOM 1093 CB ASN A 426 9.001 23.963 14.581 1.00 0.00 C ATOM 1094 CG ASN A 426 8.601 24.743 15.819 1.00 0.00 C ATOM 1095 OD1 ASN A 426 7.599 25.457 15.819 1.00 0.00 O ATOM 1096 ND2 ASN A 426 9.384 24.608 16.885 1.00 0.00 N ATOM 0 H ASN A 426 10.564 24.209 11.867 1.00 0.00 H new ATOM 0 HA ASN A 426 8.371 25.442 13.155 1.00 0.00 H new ATOM 0 HB2 ASN A 426 8.209 23.258 14.327 1.00 0.00 H new ATOM 0 HB3 ASN A 426 9.893 23.375 14.797 1.00 0.00 H new ATOM 0 HD21 ASN A 426 9.163 25.107 17.747 1.00 0.00 H new ATOM 0 HD22 ASN A 426 10.206 24.005 16.841 1.00 0.00 H new ATOM 1103 N THR A 427 10.019 27.099 14.005 1.00 0.00 N ATOM 1104 CA THR A 427 10.991 28.130 14.350 1.00 0.00 C ATOM 1105 C THR A 427 11.658 27.825 15.689 1.00 0.00 C ATOM 1106 O THR A 427 10.979 27.556 16.680 1.00 0.00 O ATOM 1107 CB THR A 427 10.328 29.520 14.419 1.00 0.00 C ATOM 1108 OG1 THR A 427 9.745 29.847 13.151 1.00 0.00 O ATOM 1109 CG2 THR A 427 11.339 30.591 14.806 1.00 0.00 C ATOM 0 H THR A 427 9.050 27.416 14.005 1.00 0.00 H new ATOM 0 HA THR A 427 11.747 28.136 13.565 1.00 0.00 H new ATOM 0 HB THR A 427 9.551 29.486 15.183 1.00 0.00 H new ATOM 0 HG1 THR A 427 9.324 30.731 13.203 1.00 0.00 H new ATOM 0 HG21 THR A 427 10.844 31.561 14.847 1.00 0.00 H new ATOM 0 HG22 THR A 427 11.760 30.357 15.784 1.00 0.00 H new ATOM 0 HG23 THR A 427 12.138 30.622 14.065 1.00 0.00 H new ATOM 1117 N ASN A 428 12.989 27.874 15.709 1.00 0.00 N ATOM 1118 CA ASN A 428 13.752 27.609 16.923 1.00 0.00 C ATOM 1119 C ASN A 428 15.250 27.740 16.667 1.00 0.00 C ATOM 1120 O ASN A 428 15.954 28.447 17.389 1.00 0.00 O ATOM 1121 CB ASN A 428 13.442 26.209 17.458 1.00 0.00 C ATOM 1122 CG ASN A 428 14.216 25.887 18.723 1.00 0.00 C ATOM 1123 OD1 ASN A 428 14.086 26.574 19.735 1.00 0.00 O ATOM 1124 ND2 ASN A 428 15.028 24.838 18.668 1.00 0.00 N ATOM 0 H ASN A 428 13.561 28.096 14.894 1.00 0.00 H new ATOM 0 HA ASN A 428 13.459 28.349 17.667 1.00 0.00 H new ATOM 0 HB2 ASN A 428 12.374 26.128 17.659 1.00 0.00 H new ATOM 0 HB3 ASN A 428 13.679 25.470 16.693 1.00 0.00 H new ATOM 0 HD21 ASN A 428 15.576 24.573 19.487 1.00 0.00 H new ATOM 0 HD22 ASN A 428 15.104 24.297 17.807 1.00 0.00 H new ATOM 1131 N THR A 429 15.731 27.051 15.638 1.00 0.00 N ATOM 1132 CA THR A 429 17.146 27.088 15.285 1.00 0.00 C ATOM 1133 C THR A 429 17.539 28.449 14.717 1.00 0.00 C ATOM 1134 O THR A 429 16.749 29.393 14.739 1.00 0.00 O ATOM 1135 CB THR A 429 17.494 25.995 14.258 1.00 0.00 C ATOM 1136 OG1 THR A 429 16.721 26.179 13.066 1.00 0.00 O ATOM 1137 CG2 THR A 429 17.231 24.609 14.829 1.00 0.00 C ATOM 0 H THR A 429 15.161 26.459 15.033 1.00 0.00 H new ATOM 0 HA THR A 429 17.706 26.908 16.203 1.00 0.00 H new ATOM 0 HB THR A 429 18.555 26.077 14.020 1.00 0.00 H new ATOM 0 HG1 THR A 429 16.949 25.481 12.417 1.00 0.00 H new ATOM 0 HG21 THR A 429 17.485 23.855 14.084 1.00 0.00 H new ATOM 0 HG22 THR A 429 17.842 24.460 15.719 1.00 0.00 H new ATOM 0 HG23 THR A 429 16.177 24.518 15.093 1.00 0.00 H new ATOM 1145 N THR A 430 18.763 28.538 14.204 1.00 0.00 N ATOM 1146 CA THR A 430 19.267 29.778 13.622 1.00 0.00 C ATOM 1147 C THR A 430 18.754 29.949 12.192 1.00 0.00 C ATOM 1148 O THR A 430 19.534 30.106 11.250 1.00 0.00 O ATOM 1149 CB THR A 430 20.810 29.812 13.628 1.00 0.00 C ATOM 1150 OG1 THR A 430 21.298 29.515 14.941 1.00 0.00 O ATOM 1151 CG2 THR A 430 21.332 31.176 13.195 1.00 0.00 C ATOM 0 H THR A 430 19.426 27.763 14.180 1.00 0.00 H new ATOM 0 HA THR A 430 18.900 30.601 14.235 1.00 0.00 H new ATOM 0 HB THR A 430 21.166 29.063 12.921 1.00 0.00 H new ATOM 0 HG1 THR A 430 22.278 29.536 14.938 1.00 0.00 H new ATOM 0 HG21 THR A 430 22.422 31.170 13.209 1.00 0.00 H new ATOM 0 HG22 THR A 430 20.983 31.395 12.186 1.00 0.00 H new ATOM 0 HG23 THR A 430 20.965 31.940 13.880 1.00 0.00 H new ATOM 1159 N GLY A 431 17.435 29.908 12.036 1.00 0.00 N ATOM 1160 CA GLY A 431 16.836 30.050 10.721 1.00 0.00 C ATOM 1161 C GLY A 431 15.335 30.243 10.790 1.00 0.00 C ATOM 1162 O GLY A 431 14.578 29.522 10.139 1.00 0.00 O ATOM 0 H GLY A 431 16.769 29.779 12.798 1.00 0.00 H new ATOM 0 HA2 GLY A 431 17.286 30.901 10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 431 17.059 29.165 10.125 1.00 0.00 H new ATOM 1166 N SER A 432 14.905 31.217 11.588 1.00 0.00 N ATOM 1167 CA SER A 432 13.485 31.507 11.751 1.00 0.00 C ATOM 1168 C SER A 432 12.820 31.765 10.403 1.00 0.00 C ATOM 1169 O SER A 432 13.360 32.481 9.559 1.00 0.00 O ATOM 1170 CB SER A 432 13.294 32.718 12.665 1.00 0.00 C ATOM 1171 OG SER A 432 13.848 32.482 13.948 1.00 0.00 O ATOM 0 H SER A 432 15.522 31.819 12.133 1.00 0.00 H new ATOM 0 HA SER A 432 13.013 30.636 12.206 1.00 0.00 H new ATOM 0 HB2 SER A 432 13.765 33.593 12.217 1.00 0.00 H new ATOM 0 HB3 SER A 432 12.231 32.942 12.760 1.00 0.00 H new ATOM 0 HG SER A 432 13.714 33.272 14.512 1.00 0.00 H new ATOM 1177 N SER A 433 11.644 31.174 10.213 1.00 0.00 N ATOM 1178 CA SER A 433 10.896 31.330 8.970 1.00 0.00 C ATOM 1179 C SER A 433 9.438 30.924 9.161 1.00 0.00 C ATOM 1180 O SER A 433 9.121 30.336 10.217 1.00 0.00 O ATOM 1181 CB SER A 433 11.524 30.484 7.860 1.00 0.00 C ATOM 1182 OG SER A 433 12.860 30.881 7.602 1.00 0.00 O ATOM 1183 OXT SER A 433 8.624 31.197 8.253 1.00 0.00 O ATOM 0 H SER A 433 11.188 30.581 10.906 1.00 0.00 H new ATOM 0 HA SER A 433 10.933 32.381 8.684 1.00 0.00 H new ATOM 0 HB2 SER A 433 11.504 29.432 8.146 1.00 0.00 H new ATOM 0 HB3 SER A 433 10.932 30.578 6.949 1.00 0.00 H new ATOM 0 HG SER A 433 13.032 31.747 8.028 1.00 0.00 H new TER 1189 SER A 433