USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=26 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 428 ASN : amide:sc= -0.912 K(o=-0.91,f=-2.1) USER MOD Set 1.2: A 429 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 373 GLN : amide:sc= -1.51 K(o=-1.6,f=-3.9!) USER MOD Set 2.2: A 391 SER OG : rot 180:sc= -0.0402 USER MOD Set 3.1: A 377 THR OG1 : rot -22:sc= 0.023 USER MOD Set 3.2: A 380 SER OG : rot -31:sc= 0.219! USER MOD Set 4.1: A 370 SER OG : rot -60:sc= 0.494 USER MOD Set 4.2: A 372 GLN : amide:sc=-0.00222 X(o=0.49,f=0.46) USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 357 MET CE :methyl 161:sc= -0.173 (180deg=-0.691) USER MOD Single : A 362 THR OG1 : rot -14:sc= 0.73 USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 LYS NZ :NH3+ 167:sc= -0.0571 (180deg=-0.225) USER MOD Single : A 365 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.33) USER MOD Single : A 366 LYS NZ :NH3+ -166:sc= -0.0267 (180deg=-0.251) USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 382 ASN :FLIP amide:sc= -1.31 F(o=-4.9!,f=-1.3) 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 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= -0.728 K(o=-0.73,f=-3!) USER MOD Single : A 390 LYS NZ :NH3+ -134:sc= -0.0168 (180deg=-0.23) USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.26) USER MOD Single : A 397 ASN : amide:sc= 0.351 K(o=0.35,f=-3.8!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.484 F(o=-3.2!,f=-0.48) USER MOD Single : A 402 LYS NZ :NH3+ 164:sc= -0.0669 (180deg=-0.376) USER MOD Single : A 403 LYS NZ :NH3+ 166:sc= -0.0346 (180deg=-0.248) USER MOD Single : A 405 THR OG1 : rot 22:sc= 0.166 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 165:sc= -0.029 (180deg=-0.319) USER MOD Single : A 413 LYS NZ :NH3+ 166:sc= -0.0437 (180deg=-0.303) USER MOD Single : A 418 THR OG1 : rot -58:sc= 0.804 USER MOD Single : A 420 LYS NZ :NH3+ -166:sc= -0.0404 (180deg=-0.263) USER MOD Single : A 423 LYS NZ :NH3+ -165:sc= -0.0396 (180deg=-0.269) USER MOD Single : A 424 THR OG1 : rot 9:sc= 0.566 USER MOD Single : A 426 ASN : amide:sc=-0.00148 X(o=-0.0015,f=-0.0015) USER MOD Single : A 427 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 31.371 -0.210 -0.040 1.00 0.00 N ATOM 2 CA GLY A 354 30.989 -0.259 1.398 1.00 0.00 C ATOM 3 C GLY A 354 29.952 -1.326 1.687 1.00 0.00 C ATOM 4 O GLY A 354 30.084 -2.084 2.648 1.00 0.00 O ATOM 0 HA2 GLY A 354 31.878 -0.448 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 354 30.600 0.713 1.700 1.00 0.00 H new ATOM 10 N SER A 355 28.917 -1.386 0.853 1.00 0.00 N ATOM 11 CA SER A 355 27.853 -2.369 1.023 1.00 0.00 C ATOM 12 C SER A 355 26.912 -2.370 -0.177 1.00 0.00 C ATOM 13 O SER A 355 26.490 -1.314 -0.649 1.00 0.00 O ATOM 14 CB SER A 355 27.061 -2.080 2.301 1.00 0.00 C ATOM 15 OG SER A 355 26.047 -3.050 2.503 1.00 0.00 O ATOM 0 H SER A 355 28.793 -0.765 0.053 1.00 0.00 H new ATOM 0 HA SER A 355 28.315 -3.353 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 355 27.736 -2.071 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 355 26.613 -1.088 2.238 1.00 0.00 H new ATOM 0 HG SER A 355 25.557 -2.844 3.326 1.00 0.00 H new ATOM 21 N HIS A 356 26.588 -3.562 -0.667 1.00 0.00 N ATOM 22 CA HIS A 356 25.699 -3.706 -1.813 1.00 0.00 C ATOM 23 C HIS A 356 24.304 -3.176 -1.495 1.00 0.00 C ATOM 24 O HIS A 356 23.771 -3.405 -0.409 1.00 0.00 O ATOM 25 CB HIS A 356 25.623 -5.170 -2.247 1.00 0.00 C ATOM 26 CG HIS A 356 26.929 -5.712 -2.739 1.00 0.00 C ATOM 27 ND1 HIS A 356 27.600 -5.186 -3.823 1.00 0.00 N ATOM 28 CD2 HIS A 356 27.691 -6.739 -2.292 1.00 0.00 C ATOM 29 CE1 HIS A 356 28.716 -5.864 -4.022 1.00 0.00 C ATOM 30 NE2 HIS A 356 28.795 -6.813 -3.106 1.00 0.00 N ATOM 0 H HIS A 356 26.929 -4.445 -0.287 1.00 0.00 H new ATOM 0 HA HIS A 356 26.108 -3.116 -2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 356 25.281 -5.773 -1.406 1.00 0.00 H new ATOM 0 HB3 HIS A 356 24.877 -5.270 -3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 356 27.471 -7.381 -1.451 1.00 0.00 H new ATOM 0 HE1 HIS A 356 29.440 -5.675 -4.801 1.00 0.00 H new ATOM 0 HE2 HIS A 356 29.553 -7.490 -3.018 1.00 0.00 H new ATOM 39 N MET A 357 23.725 -2.459 -2.453 1.00 0.00 N ATOM 40 CA MET A 357 22.394 -1.881 -2.291 1.00 0.00 C ATOM 41 C MET A 357 21.332 -2.963 -2.110 1.00 0.00 C ATOM 42 O MET A 357 21.367 -4.001 -2.772 1.00 0.00 O ATOM 43 CB MET A 357 22.055 -1.005 -3.499 1.00 0.00 C ATOM 44 CG MET A 357 20.674 -0.373 -3.430 1.00 0.00 C ATOM 45 SD MET A 357 20.358 0.753 -4.804 1.00 0.00 S ATOM 46 CE MET A 357 20.632 -0.328 -6.205 1.00 0.00 C ATOM 0 H MET A 357 24.159 -2.263 -3.355 1.00 0.00 H new ATOM 0 HA MET A 357 22.400 -1.268 -1.390 1.00 0.00 H new ATOM 0 HB2 MET A 357 22.802 -0.216 -3.585 1.00 0.00 H new ATOM 0 HB3 MET A 357 22.124 -1.608 -4.404 1.00 0.00 H new ATOM 0 HG2 MET A 357 19.918 -1.159 -3.428 1.00 0.00 H new ATOM 0 HG3 MET A 357 20.573 0.169 -2.490 1.00 0.00 H new ATOM 0 HE1 MET A 357 20.162 0.099 -7.091 1.00 0.00 H new ATOM 0 HE2 MET A 357 21.703 -0.435 -6.378 1.00 0.00 H new ATOM 0 HE3 MET A 357 20.198 -1.307 -6.000 1.00 0.00 H new ATOM 56 N LEU A 358 20.391 -2.707 -1.204 1.00 0.00 N ATOM 57 CA LEU A 358 19.310 -3.649 -0.919 1.00 0.00 C ATOM 58 C LEU A 358 18.484 -3.941 -2.169 1.00 0.00 C ATOM 59 O LEU A 358 18.261 -3.060 -3.000 1.00 0.00 O ATOM 60 CB LEU A 358 18.395 -3.107 0.186 1.00 0.00 C ATOM 61 CG LEU A 358 17.558 -1.876 -0.188 1.00 0.00 C ATOM 62 CD1 LEU A 358 16.536 -1.580 0.898 1.00 0.00 C ATOM 63 CD2 LEU A 358 18.447 -0.663 -0.416 1.00 0.00 C ATOM 0 H LEU A 358 20.355 -1.850 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 358 19.769 -4.578 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 358 17.718 -3.904 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 358 19.009 -2.857 1.051 1.00 0.00 H new ATOM 0 HG LEU A 358 17.032 -2.095 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 358 15.951 -0.704 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 358 15.873 -2.437 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 358 17.051 -1.386 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 358 17.830 0.196 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 358 19.004 -0.444 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 358 19.145 -0.871 -1.227 1.00 0.00 H new ATOM 75 N GLU A 359 18.028 -5.186 -2.290 1.00 0.00 N ATOM 76 CA GLU A 359 17.219 -5.601 -3.430 1.00 0.00 C ATOM 77 C GLU A 359 15.814 -5.011 -3.340 1.00 0.00 C ATOM 78 O GLU A 359 15.211 -4.981 -2.267 1.00 0.00 O ATOM 79 CB GLU A 359 17.134 -7.130 -3.514 1.00 0.00 C ATOM 80 CG GLU A 359 18.485 -7.817 -3.659 1.00 0.00 C ATOM 81 CD GLU A 359 19.243 -7.921 -2.349 1.00 0.00 C ATOM 82 OE1 GLU A 359 18.657 -7.603 -1.292 1.00 0.00 O ATOM 83 OE2 GLU A 359 20.419 -8.339 -2.377 1.00 0.00 O ATOM 0 H GLU A 359 18.206 -5.925 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 359 17.702 -5.227 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 359 16.641 -7.506 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 359 16.506 -7.403 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 359 18.336 -8.817 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 359 19.090 -7.267 -4.380 1.00 0.00 H new ATOM 90 N VAL A 360 15.299 -4.542 -4.473 1.00 0.00 N ATOM 91 CA VAL A 360 13.967 -3.952 -4.525 1.00 0.00 C ATOM 92 C VAL A 360 12.896 -4.964 -4.123 1.00 0.00 C ATOM 93 O VAL A 360 12.983 -6.143 -4.467 1.00 0.00 O ATOM 94 CB VAL A 360 13.650 -3.407 -5.931 1.00 0.00 C ATOM 95 CG1 VAL A 360 14.637 -2.316 -6.312 1.00 0.00 C ATOM 96 CG2 VAL A 360 13.664 -4.528 -6.959 1.00 0.00 C ATOM 0 H VAL A 360 15.786 -4.560 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 360 13.959 -3.126 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 360 12.649 -2.975 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 360 14.399 -1.942 -7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 360 14.573 -1.500 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 360 15.648 -2.723 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 360 13.438 -4.121 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 360 14.649 -4.994 -6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 360 12.915 -5.274 -6.694 1.00 0.00 H new ATOM 106 N LEU A 361 11.889 -4.495 -3.389 1.00 0.00 N ATOM 107 CA LEU A 361 10.801 -5.358 -2.939 1.00 0.00 C ATOM 108 C LEU A 361 10.100 -6.012 -4.124 1.00 0.00 C ATOM 109 O LEU A 361 9.849 -5.364 -5.140 1.00 0.00 O ATOM 110 CB LEU A 361 9.789 -4.557 -2.117 1.00 0.00 C ATOM 111 CG LEU A 361 10.351 -3.896 -0.856 1.00 0.00 C ATOM 112 CD1 LEU A 361 9.268 -3.098 -0.149 1.00 0.00 C ATOM 113 CD2 LEU A 361 10.940 -4.942 0.081 1.00 0.00 C ATOM 0 H LEU A 361 11.805 -3.522 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 361 11.230 -6.140 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 361 9.360 -3.783 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 361 8.974 -5.220 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 361 11.148 -3.213 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.683 -2.634 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 361 8.891 -2.324 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 361 8.451 -3.763 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 361 11.334 -4.452 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 361 10.163 -5.650 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 361 11.745 -5.474 -0.427 1.00 0.00 H new ATOM 125 N THR A 362 9.784 -7.298 -3.985 1.00 0.00 N ATOM 126 CA THR A 362 9.110 -8.041 -5.048 1.00 0.00 C ATOM 127 C THR A 362 8.525 -9.347 -4.521 1.00 0.00 C ATOM 128 O THR A 362 9.204 -10.112 -3.835 1.00 0.00 O ATOM 129 CB THR A 362 10.069 -8.364 -6.212 1.00 0.00 C ATOM 130 OG1 THR A 362 10.592 -7.155 -6.775 1.00 0.00 O ATOM 131 CG2 THR A 362 9.360 -9.162 -7.297 1.00 0.00 C ATOM 0 H THR A 362 9.983 -7.846 -3.148 1.00 0.00 H new ATOM 0 HA THR A 362 8.307 -7.401 -5.413 1.00 0.00 H new ATOM 0 HB THR A 362 10.888 -8.964 -5.814 1.00 0.00 H new ATOM 0 HG1 THR A 362 10.064 -6.392 -6.460 1.00 0.00 H new ATOM 0 HG21 THR A 362 10.058 -9.377 -8.106 1.00 0.00 H new ATOM 0 HG22 THR A 362 8.991 -10.098 -6.878 1.00 0.00 H new ATOM 0 HG23 THR A 362 8.522 -8.583 -7.685 1.00 0.00 H new ATOM 139 N GLN A 363 7.261 -9.597 -4.851 1.00 0.00 N ATOM 140 CA GLN A 363 6.580 -10.812 -4.417 1.00 0.00 C ATOM 141 C GLN A 363 7.090 -12.030 -5.181 1.00 0.00 C ATOM 142 O GLN A 363 7.149 -12.023 -6.412 1.00 0.00 O ATOM 143 CB GLN A 363 5.069 -10.668 -4.613 1.00 0.00 C ATOM 144 CG GLN A 363 4.278 -11.890 -4.179 1.00 0.00 C ATOM 145 CD GLN A 363 2.786 -11.723 -4.389 1.00 0.00 C ATOM 146 OE1 GLN A 363 2.324 -11.529 -5.514 1.00 0.00 O ATOM 147 NE2 GLN A 363 2.025 -11.793 -3.304 1.00 0.00 N ATOM 0 H GLN A 363 6.687 -8.973 -5.418 1.00 0.00 H new ATOM 0 HA GLN A 363 6.793 -10.959 -3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 363 4.720 -9.802 -4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 363 4.865 -10.469 -5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 363 4.625 -12.760 -4.737 1.00 0.00 H new ATOM 0 HG3 GLN A 363 4.473 -12.089 -3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 363 2.451 -11.955 -2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 363 1.014 -11.684 -3.382 1.00 0.00 H new ATOM 156 N LYS A 364 7.453 -13.076 -4.445 1.00 0.00 N ATOM 157 CA LYS A 364 7.955 -14.306 -5.053 1.00 0.00 C ATOM 158 C LYS A 364 7.808 -15.488 -4.095 1.00 0.00 C ATOM 159 O LYS A 364 8.761 -15.875 -3.418 1.00 0.00 O ATOM 160 CB LYS A 364 9.417 -14.131 -5.473 1.00 0.00 C ATOM 161 CG LYS A 364 10.312 -13.586 -4.371 1.00 0.00 C ATOM 162 CD LYS A 364 11.738 -13.388 -4.860 1.00 0.00 C ATOM 163 CE LYS A 364 12.634 -12.847 -3.756 1.00 0.00 C ATOM 164 NZ LYS A 364 12.706 -13.774 -2.594 1.00 0.00 N ATOM 0 H LYS A 364 7.409 -13.098 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 364 7.360 -14.517 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 364 9.808 -15.093 -5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 364 9.461 -13.458 -6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 364 9.914 -12.637 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 364 10.308 -14.273 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 364 12.135 -14.337 -5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 364 11.742 -12.699 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 364 13.636 -12.681 -4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 364 12.258 -11.879 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 13.484 -13.485 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 11.809 -13.743 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 12.875 -14.743 -2.933 1.00 0.00 H new ATOM 178 N HIS A 365 6.603 -16.052 -4.043 1.00 0.00 N ATOM 179 CA HIS A 365 6.320 -17.186 -3.165 1.00 0.00 C ATOM 180 C HIS A 365 6.785 -16.880 -1.741 1.00 0.00 C ATOM 181 O HIS A 365 7.327 -17.742 -1.047 1.00 0.00 O ATOM 182 CB HIS A 365 7.001 -18.454 -3.696 1.00 0.00 C ATOM 183 CG HIS A 365 6.582 -19.706 -2.984 1.00 0.00 C ATOM 184 ND1 HIS A 365 5.275 -20.144 -2.942 1.00 0.00 N ATOM 185 CD2 HIS A 365 7.304 -20.612 -2.281 1.00 0.00 C ATOM 186 CE1 HIS A 365 5.210 -21.264 -2.244 1.00 0.00 C ATOM 187 NE2 HIS A 365 6.426 -21.571 -1.833 1.00 0.00 N ATOM 0 H HIS A 365 5.806 -15.742 -4.599 1.00 0.00 H new ATOM 0 HA HIS A 365 5.244 -17.357 -3.147 1.00 0.00 H new ATOM 0 HB2 HIS A 365 6.778 -18.558 -4.758 1.00 0.00 H new ATOM 0 HB3 HIS A 365 8.081 -18.340 -3.607 1.00 0.00 H new ATOM 0 HD2 HIS A 365 8.369 -20.586 -2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 365 4.314 -21.832 -2.044 1.00 0.00 H new ATOM 0 HE2 HIS A 365 6.674 -22.387 -1.274 1.00 0.00 H new ATOM 196 N LYS A 366 6.574 -15.637 -1.322 1.00 0.00 N ATOM 197 CA LYS A 366 6.972 -15.189 0.010 1.00 0.00 C ATOM 198 C LYS A 366 6.550 -13.736 0.221 1.00 0.00 C ATOM 199 O LYS A 366 6.770 -12.891 -0.646 1.00 0.00 O ATOM 200 CB LYS A 366 8.490 -15.320 0.177 1.00 0.00 C ATOM 201 CG LYS A 366 8.994 -15.011 1.579 1.00 0.00 C ATOM 202 CD LYS A 366 8.558 -16.070 2.579 1.00 0.00 C ATOM 203 CE LYS A 366 9.095 -15.776 3.971 1.00 0.00 C ATOM 204 NZ LYS A 366 10.583 -15.767 4.002 1.00 0.00 N ATOM 0 H LYS A 366 6.127 -14.917 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 366 6.478 -15.814 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 366 8.787 -16.335 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 366 8.981 -14.650 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 366 10.082 -14.946 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 366 8.620 -14.037 1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 366 7.469 -16.116 2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 366 8.910 -17.048 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 366 8.719 -14.810 4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 366 8.722 -16.525 4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 10.910 -15.801 4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 10.946 -16.595 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 10.934 -14.898 3.551 1.00 0.00 H new ATOM 218 N PRO A 367 5.940 -13.415 1.378 1.00 0.00 N ATOM 219 CA PRO A 367 5.502 -12.049 1.678 1.00 0.00 C ATOM 220 C PRO A 367 6.658 -11.055 1.644 1.00 0.00 C ATOM 221 O PRO A 367 7.763 -11.358 2.095 1.00 0.00 O ATOM 222 CB PRO A 367 4.916 -12.149 3.083 1.00 0.00 C ATOM 223 CG PRO A 367 5.451 -13.415 3.647 1.00 0.00 C ATOM 224 CD PRO A 367 5.637 -14.339 2.482 1.00 0.00 C ATOM 0 HA PRO A 367 4.788 -11.682 0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 367 5.208 -11.294 3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 367 3.826 -12.162 3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 367 6.395 -13.244 4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 367 4.761 -13.840 4.376 1.00 0.00 H new ATOM 0 HD2 PRO A 367 6.449 -15.046 2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 367 4.740 -14.926 2.284 1.00 0.00 H new ATOM 232 N ALA A 368 6.395 -9.872 1.093 1.00 0.00 N ATOM 233 CA ALA A 368 7.410 -8.828 0.983 1.00 0.00 C ATOM 234 C ALA A 368 8.106 -8.586 2.317 1.00 0.00 C ATOM 235 O ALA A 368 7.473 -8.599 3.373 1.00 0.00 O ATOM 236 CB ALA A 368 6.786 -7.540 0.473 1.00 0.00 C ATOM 0 H ALA A 368 5.484 -9.612 0.715 1.00 0.00 H new ATOM 0 HA ALA A 368 8.162 -9.166 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 368 7.553 -6.770 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 368 6.345 -7.713 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 368 6.011 -7.212 1.166 1.00 0.00 H new ATOM 242 N GLU A 369 9.417 -8.369 2.258 1.00 0.00 N ATOM 243 CA GLU A 369 10.213 -8.127 3.456 1.00 0.00 C ATOM 244 C GLU A 369 9.661 -6.955 4.256 1.00 0.00 C ATOM 245 O GLU A 369 9.786 -6.913 5.480 1.00 0.00 O ATOM 246 CB GLU A 369 11.671 -7.858 3.081 1.00 0.00 C ATOM 247 CG GLU A 369 12.333 -9.009 2.340 1.00 0.00 C ATOM 248 CD GLU A 369 13.778 -8.721 1.983 1.00 0.00 C ATOM 249 OE1 GLU A 369 14.264 -7.619 2.313 1.00 0.00 O ATOM 250 OE2 GLU A 369 14.424 -9.600 1.374 1.00 0.00 O ATOM 0 H GLU A 369 9.952 -8.356 1.389 1.00 0.00 H new ATOM 0 HA GLU A 369 10.161 -9.021 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 369 11.718 -6.963 2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 369 12.238 -7.648 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 369 12.287 -9.907 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 369 11.773 -9.219 1.429 1.00 0.00 H new ATOM 257 N SER A 370 9.056 -6.004 3.557 1.00 0.00 N ATOM 258 CA SER A 370 8.489 -4.826 4.206 1.00 0.00 C ATOM 259 C SER A 370 7.495 -4.117 3.292 1.00 0.00 C ATOM 260 O SER A 370 7.637 -2.928 3.004 1.00 0.00 O ATOM 261 CB SER A 370 9.603 -3.862 4.618 1.00 0.00 C ATOM 262 OG SER A 370 9.075 -2.724 5.276 1.00 0.00 O ATOM 0 H SER A 370 8.945 -6.023 2.543 1.00 0.00 H new ATOM 0 HA SER A 370 7.955 -5.157 5.096 1.00 0.00 H new ATOM 0 HB2 SER A 370 10.306 -4.373 5.276 1.00 0.00 H new ATOM 0 HB3 SER A 370 10.162 -3.549 3.736 1.00 0.00 H new ATOM 0 HG SER A 370 8.458 -2.256 4.676 1.00 0.00 H new ATOM 268 N GLN A 371 6.486 -4.856 2.840 1.00 0.00 N ATOM 269 CA GLN A 371 5.461 -4.302 1.961 1.00 0.00 C ATOM 270 C GLN A 371 4.793 -3.087 2.599 1.00 0.00 C ATOM 271 O GLN A 371 4.525 -3.074 3.801 1.00 0.00 O ATOM 272 CB GLN A 371 4.407 -5.365 1.638 1.00 0.00 C ATOM 273 CG GLN A 371 3.732 -5.952 2.867 1.00 0.00 C ATOM 274 CD GLN A 371 2.702 -7.009 2.520 1.00 0.00 C ATOM 275 OE1 GLN A 371 3.026 -8.037 1.925 1.00 0.00 O ATOM 276 NE2 GLN A 371 1.450 -6.760 2.887 1.00 0.00 N ATOM 0 H GLN A 371 6.356 -5.842 3.068 1.00 0.00 H new ATOM 0 HA GLN A 371 5.945 -3.985 1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 371 3.647 -4.925 0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 371 4.877 -6.170 1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 371 4.489 -6.388 3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 371 3.250 -5.152 3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 371 1.225 -5.895 3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 371 0.713 -7.434 2.677 1.00 0.00 H new ATOM 285 N GLN A 372 4.528 -2.069 1.787 1.00 0.00 N ATOM 286 CA GLN A 372 3.893 -0.847 2.272 1.00 0.00 C ATOM 287 C GLN A 372 2.953 -0.272 1.218 1.00 0.00 C ATOM 288 O GLN A 372 3.334 -0.096 0.060 1.00 0.00 O ATOM 289 CB GLN A 372 4.952 0.192 2.648 1.00 0.00 C ATOM 290 CG GLN A 372 5.865 -0.248 3.781 1.00 0.00 C ATOM 291 CD GLN A 372 6.924 0.784 4.109 1.00 0.00 C ATOM 292 OE1 GLN A 372 6.613 1.915 4.482 1.00 0.00 O ATOM 293 NE2 GLN A 372 8.188 0.398 3.970 1.00 0.00 N ATOM 0 H GLN A 372 4.743 -2.065 0.790 1.00 0.00 H new ATOM 0 HA GLN A 372 3.311 -1.097 3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 372 5.558 0.414 1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 372 4.454 1.118 2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 372 5.266 -0.444 4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 372 6.349 -1.186 3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 372 8.401 -0.550 3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 372 8.946 1.049 4.175 1.00 0.00 H new ATOM 302 N GLN A 373 1.721 0.014 1.628 1.00 0.00 N ATOM 303 CA GLN A 373 0.719 0.563 0.724 1.00 0.00 C ATOM 304 C GLN A 373 1.056 1.987 0.310 1.00 0.00 C ATOM 305 O GLN A 373 1.519 2.793 1.119 1.00 0.00 O ATOM 306 CB GLN A 373 -0.667 0.522 1.367 1.00 0.00 C ATOM 307 CG GLN A 373 -1.330 -0.846 1.316 1.00 0.00 C ATOM 308 CD GLN A 373 -0.572 -1.906 2.095 1.00 0.00 C ATOM 309 OE1 GLN A 373 0.547 -2.276 1.740 1.00 0.00 O ATOM 310 NE2 GLN A 373 -1.183 -2.402 3.166 1.00 0.00 N ATOM 0 H GLN A 373 1.393 -0.126 2.584 1.00 0.00 H new ATOM 0 HA GLN A 373 0.716 -0.058 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -0.583 0.836 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -1.310 1.246 0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -2.342 -0.767 1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -1.418 -1.162 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -2.111 -2.067 3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -0.724 -3.118 3.729 1.00 0.00 H new ATOM 319 N ALA A 374 0.811 2.287 -0.959 1.00 0.00 N ATOM 320 CA ALA A 374 1.074 3.613 -1.501 1.00 0.00 C ATOM 321 C ALA A 374 -0.225 4.386 -1.688 1.00 0.00 C ATOM 322 O ALA A 374 -1.257 3.804 -2.021 1.00 0.00 O ATOM 323 CB ALA A 374 1.825 3.504 -2.820 1.00 0.00 C ATOM 0 H ALA A 374 0.429 1.626 -1.635 1.00 0.00 H new ATOM 0 HA ALA A 374 1.695 4.159 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 374 2.015 4.502 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.773 2.991 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.225 2.940 -3.535 1.00 0.00 H new ATOM 329 N ALA A 375 -0.172 5.697 -1.464 1.00 0.00 N ATOM 330 CA ALA A 375 -1.347 6.550 -1.605 1.00 0.00 C ATOM 331 C ALA A 375 -1.991 6.375 -2.977 1.00 0.00 C ATOM 332 O ALA A 375 -1.618 7.040 -3.943 1.00 0.00 O ATOM 333 CB ALA A 375 -0.970 8.006 -1.381 1.00 0.00 C ATOM 0 H ALA A 375 0.675 6.192 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.075 6.253 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -1.856 8.632 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -0.561 8.126 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -0.222 8.305 -2.115 1.00 0.00 H new ATOM 339 N GLU A 376 -2.960 5.469 -3.048 1.00 0.00 N ATOM 340 CA GLU A 376 -3.666 5.189 -4.288 1.00 0.00 C ATOM 341 C GLU A 376 -4.585 6.350 -4.658 1.00 0.00 C ATOM 342 O GLU A 376 -4.299 7.507 -4.346 1.00 0.00 O ATOM 343 CB GLU A 376 -4.465 3.891 -4.137 1.00 0.00 C ATOM 344 CG GLU A 376 -3.625 2.715 -3.665 1.00 0.00 C ATOM 345 CD GLU A 376 -2.534 2.342 -4.652 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.869 2.008 -5.808 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.346 2.380 -4.268 1.00 0.00 O ATOM 0 H GLU A 376 -3.275 4.913 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 376 -2.941 5.069 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.278 4.054 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.921 3.641 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.172 2.960 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.272 1.853 -3.502 1.00 0.00 H new ATOM 354 N THR A 377 -5.687 6.033 -5.322 1.00 0.00 N ATOM 355 CA THR A 377 -6.655 7.033 -5.742 1.00 0.00 C ATOM 356 C THR A 377 -8.055 6.444 -5.722 1.00 0.00 C ATOM 357 O THR A 377 -8.227 5.241 -5.910 1.00 0.00 O ATOM 358 CB THR A 377 -6.344 7.561 -7.154 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.369 6.484 -8.099 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.982 8.238 -7.187 1.00 0.00 C ATOM 0 H THR A 377 -5.934 5.079 -5.584 1.00 0.00 H new ATOM 0 HA THR A 377 -6.594 7.866 -5.042 1.00 0.00 H new ATOM 0 HB THR A 377 -7.106 8.293 -7.420 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.224 5.635 -7.631 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.782 8.604 -8.194 1.00 0.00 H new ATOM 0 HG22 THR A 377 -4.975 9.075 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.212 7.521 -6.902 1.00 0.00 H new ATOM 368 N GLU A 378 -9.052 7.288 -5.480 1.00 0.00 N ATOM 369 CA GLU A 378 -10.433 6.831 -5.424 1.00 0.00 C ATOM 370 C GLU A 378 -10.747 5.932 -6.613 1.00 0.00 C ATOM 371 O GLU A 378 -11.423 4.914 -6.477 1.00 0.00 O ATOM 372 CB GLU A 378 -11.392 8.020 -5.408 1.00 0.00 C ATOM 373 CG GLU A 378 -12.849 7.615 -5.256 1.00 0.00 C ATOM 374 CD GLU A 378 -13.787 8.806 -5.221 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.811 9.572 -6.206 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.497 8.973 -4.205 1.00 0.00 O ATOM 0 H GLU A 378 -8.929 8.288 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.563 6.260 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.120 8.686 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.274 8.586 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.128 6.962 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -12.968 7.037 -4.339 1.00 0.00 H new ATOM 383 N GLY A 379 -10.242 6.321 -7.776 1.00 0.00 N ATOM 384 CA GLY A 379 -10.467 5.549 -8.981 1.00 0.00 C ATOM 385 C GLY A 379 -9.834 4.172 -8.928 1.00 0.00 C ATOM 386 O GLY A 379 -10.455 3.187 -9.325 1.00 0.00 O ATOM 0 H GLY A 379 -9.678 7.161 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.540 5.444 -9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.067 6.094 -9.836 1.00 0.00 H new ATOM 390 N SER A 380 -8.597 4.100 -8.446 1.00 0.00 N ATOM 391 CA SER A 380 -7.890 2.823 -8.359 1.00 0.00 C ATOM 392 C SER A 380 -8.536 1.901 -7.328 1.00 0.00 C ATOM 393 O SER A 380 -8.751 0.719 -7.592 1.00 0.00 O ATOM 394 CB SER A 380 -6.416 3.047 -8.013 1.00 0.00 C ATOM 395 OG SER A 380 -6.274 3.660 -6.745 1.00 0.00 O ATOM 0 H SER A 380 -8.065 4.903 -8.111 1.00 0.00 H new ATOM 0 HA SER A 380 -7.955 2.341 -9.335 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.889 2.093 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.952 3.672 -8.776 1.00 0.00 H new ATOM 0 HG SER A 380 -7.045 4.240 -6.574 1.00 0.00 H new ATOM 401 N CYS A 381 -8.837 2.450 -6.155 1.00 0.00 N ATOM 402 CA CYS A 381 -9.453 1.677 -5.078 1.00 0.00 C ATOM 403 C CYS A 381 -10.736 0.998 -5.543 1.00 0.00 C ATOM 404 O CYS A 381 -10.944 -0.190 -5.296 1.00 0.00 O ATOM 405 CB CYS A 381 -9.754 2.582 -3.884 1.00 0.00 C ATOM 406 SG CYS A 381 -8.275 3.268 -3.072 1.00 0.00 S ATOM 0 H CYS A 381 -8.665 3.429 -5.924 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.746 0.903 -4.780 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.386 3.405 -4.217 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.328 2.016 -3.150 1.00 0.00 H new ATOM 411 N ASN A 382 -11.596 1.759 -6.214 1.00 0.00 N ATOM 412 CA ASN A 382 -12.860 1.229 -6.713 1.00 0.00 C ATOM 413 C ASN A 382 -12.624 -0.020 -7.554 1.00 0.00 C ATOM 414 O ASN A 382 -13.435 -0.945 -7.558 1.00 0.00 O ATOM 415 CB ASN A 382 -13.592 2.284 -7.549 1.00 0.00 C ATOM 416 CG ASN A 382 -13.935 3.538 -6.765 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.551 3.580 -5.492 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.541 4.467 -7.300 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.440 2.745 -6.424 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.478 0.965 -5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.971 2.556 -8.403 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.509 1.850 -7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.819 4.398 -8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.765 5.306 -6.764 1.00 0.00 H new ATOM 425 N LYS A 383 -11.510 -0.026 -8.275 1.00 0.00 N ATOM 426 CA LYS A 383 -11.157 -1.144 -9.136 1.00 0.00 C ATOM 427 C LYS A 383 -10.649 -2.337 -8.331 1.00 0.00 C ATOM 428 O LYS A 383 -10.896 -3.488 -8.695 1.00 0.00 O ATOM 429 CB LYS A 383 -10.102 -0.707 -10.154 1.00 0.00 C ATOM 430 CG LYS A 383 -10.478 0.562 -10.909 1.00 0.00 C ATOM 431 CD LYS A 383 -11.813 0.421 -11.628 1.00 0.00 C ATOM 432 CE LYS A 383 -11.774 -0.678 -12.678 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.076 -0.813 -13.388 1.00 0.00 N ATOM 0 H LYS A 383 -10.833 0.737 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.059 -1.459 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.155 -0.547 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.943 -1.513 -10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.528 1.398 -10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.699 0.798 -11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.596 0.203 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.073 1.368 -12.102 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.987 -0.462 -13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.519 -1.625 -12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.009 -1.572 -14.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.823 -1.044 -12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.307 0.083 -13.863 1.00 0.00 H new ATOM 447 N LYS A 384 -9.918 -2.064 -7.249 1.00 0.00 N ATOM 448 CA LYS A 384 -9.358 -3.107 -6.416 1.00 0.00 C ATOM 449 C LYS A 384 -10.405 -4.098 -5.932 1.00 0.00 C ATOM 450 O LYS A 384 -11.586 -4.015 -6.268 1.00 0.00 O ATOM 451 CB LYS A 384 -8.670 -2.474 -5.215 1.00 0.00 C ATOM 452 CG LYS A 384 -7.690 -1.382 -5.592 1.00 0.00 C ATOM 453 CD LYS A 384 -6.598 -1.895 -6.513 1.00 0.00 C ATOM 454 CE LYS A 384 -6.977 -1.757 -7.980 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.841 -2.095 -8.881 1.00 0.00 N ATOM 0 H LYS A 384 -9.704 -1.118 -6.935 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.644 -3.662 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.426 -2.059 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.143 -3.248 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.224 -0.568 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.240 -0.971 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.676 -1.345 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.396 -2.942 -6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.821 -2.410 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.304 -0.736 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.140 -1.989 -9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.044 -1.455 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.545 -3.078 -8.713 1.00 0.00 H new ATOM 469 N ASP A 385 -9.938 -5.020 -5.112 1.00 0.00 N ATOM 470 CA ASP A 385 -10.780 -6.047 -4.520 1.00 0.00 C ATOM 471 C ASP A 385 -10.442 -6.164 -3.043 1.00 0.00 C ATOM 472 O ASP A 385 -9.583 -5.436 -2.556 1.00 0.00 O ATOM 473 CB ASP A 385 -10.565 -7.388 -5.224 1.00 0.00 C ATOM 474 CG ASP A 385 -10.909 -7.329 -6.700 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.078 -7.032 -7.026 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.010 -7.581 -7.529 1.00 0.00 O ATOM 0 H ASP A 385 -8.958 -5.080 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.828 -5.772 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.525 -7.693 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.177 -8.150 -4.742 1.00 0.00 H new ATOM 481 N GLN A 386 -11.107 -7.062 -2.328 1.00 0.00 N ATOM 482 CA GLN A 386 -10.845 -7.226 -0.900 1.00 0.00 C ATOM 483 C GLN A 386 -9.343 -7.283 -0.629 1.00 0.00 C ATOM 484 O GLN A 386 -8.819 -6.524 0.187 1.00 0.00 O ATOM 485 CB GLN A 386 -11.523 -8.493 -0.374 1.00 0.00 C ATOM 486 CG GLN A 386 -11.405 -8.671 1.132 1.00 0.00 C ATOM 487 CD GLN A 386 -12.063 -9.947 1.622 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.685 -11.048 1.220 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.052 -9.804 2.496 1.00 0.00 N ATOM 0 H GLN A 386 -11.824 -7.682 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.259 -6.363 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.578 -8.469 -0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.086 -9.360 -0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.352 -8.679 1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.861 -7.816 1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.332 -8.872 2.801 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.532 -10.626 2.862 1.00 0.00 H new ATOM 498 N ASN A 387 -8.656 -8.175 -1.330 1.00 0.00 N ATOM 499 CA ASN A 387 -7.215 -8.328 -1.178 1.00 0.00 C ATOM 500 C ASN A 387 -6.464 -7.101 -1.691 1.00 0.00 C ATOM 501 O ASN A 387 -5.441 -6.709 -1.127 1.00 0.00 O ATOM 502 CB ASN A 387 -6.741 -9.578 -1.924 1.00 0.00 C ATOM 503 CG ASN A 387 -5.231 -9.722 -1.923 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.514 -8.890 -2.477 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.739 -10.783 -1.301 1.00 0.00 N ATOM 0 H ASN A 387 -9.076 -8.806 -2.012 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.000 -8.433 -0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.186 -10.461 -1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.098 -9.539 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.731 -10.933 -1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.368 -11.449 -0.854 1.00 0.00 H new ATOM 512 N GLU A 388 -6.963 -6.510 -2.771 1.00 0.00 N ATOM 513 CA GLU A 388 -6.323 -5.342 -3.366 1.00 0.00 C ATOM 514 C GLU A 388 -6.783 -4.050 -2.709 1.00 0.00 C ATOM 515 O GLU A 388 -6.313 -2.970 -3.066 1.00 0.00 O ATOM 516 CB GLU A 388 -6.591 -5.299 -4.869 1.00 0.00 C ATOM 517 CG GLU A 388 -6.101 -6.536 -5.604 1.00 0.00 C ATOM 518 CD GLU A 388 -6.290 -6.435 -7.105 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.449 -6.302 -7.549 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.278 -6.487 -7.837 1.00 0.00 O ATOM 0 H GLU A 388 -7.807 -6.820 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.250 -5.432 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.662 -5.186 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.107 -4.418 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.045 -6.690 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.635 -7.410 -5.232 1.00 0.00 H new ATOM 527 N CYS A 389 -7.688 -4.154 -1.740 1.00 0.00 N ATOM 528 CA CYS A 389 -8.164 -2.968 -1.052 1.00 0.00 C ATOM 529 C CYS A 389 -7.012 -2.387 -0.245 1.00 0.00 C ATOM 530 O CYS A 389 -6.689 -2.873 0.839 1.00 0.00 O ATOM 531 CB CYS A 389 -9.357 -3.303 -0.155 1.00 0.00 C ATOM 532 SG CYS A 389 -10.437 -1.877 0.193 1.00 0.00 S ATOM 0 H CYS A 389 -8.098 -5.032 -1.421 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.508 -2.230 -1.777 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.947 -4.087 -0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.989 -3.707 0.788 1.00 0.00 H new ATOM 537 N LYS A 390 -6.367 -1.375 -0.811 1.00 0.00 N ATOM 538 CA LYS A 390 -5.206 -0.753 -0.179 1.00 0.00 C ATOM 539 C LYS A 390 -5.573 0.040 1.073 1.00 0.00 C ATOM 540 O LYS A 390 -6.737 0.374 1.297 1.00 0.00 O ATOM 541 CB LYS A 390 -4.486 0.132 -1.186 1.00 0.00 C ATOM 542 CG LYS A 390 -3.925 -0.646 -2.371 1.00 0.00 C ATOM 543 CD LYS A 390 -2.754 -1.524 -1.957 1.00 0.00 C ATOM 544 CE LYS A 390 -2.183 -2.287 -3.142 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.198 -3.173 -3.775 1.00 0.00 N ATOM 0 H LYS A 390 -6.627 -0.965 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.540 -1.553 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.176 0.892 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.672 0.655 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.710 -1.265 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.603 0.050 -3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.975 -0.906 -1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.079 -2.229 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.807 -1.580 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.334 -2.886 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.781 -4.110 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -4.017 -3.270 -3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.505 -2.759 -4.678 1.00 0.00 H new ATOM 559 N SER A 391 -4.557 0.308 1.894 1.00 0.00 N ATOM 560 CA SER A 391 -4.728 1.029 3.146 1.00 0.00 C ATOM 561 C SER A 391 -5.558 2.301 2.972 1.00 0.00 C ATOM 562 O SER A 391 -6.571 2.469 3.651 1.00 0.00 O ATOM 563 CB SER A 391 -3.359 1.356 3.742 1.00 0.00 C ATOM 564 OG SER A 391 -2.630 0.172 4.019 1.00 0.00 O ATOM 0 H SER A 391 -3.594 0.029 1.706 1.00 0.00 H new ATOM 0 HA SER A 391 -5.279 0.384 3.831 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.796 1.980 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.486 1.932 4.658 1.00 0.00 H new ATOM 0 HG SER A 391 -1.757 0.406 4.398 1.00 0.00 H new ATOM 570 N PRO A 392 -5.171 3.216 2.057 1.00 0.00 N ATOM 571 CA PRO A 392 -5.925 4.444 1.824 1.00 0.00 C ATOM 572 C PRO A 392 -7.368 4.135 1.458 1.00 0.00 C ATOM 573 O PRO A 392 -8.293 4.843 1.855 1.00 0.00 O ATOM 574 CB PRO A 392 -5.183 5.074 0.642 1.00 0.00 C ATOM 575 CG PRO A 392 -3.812 4.565 0.765 1.00 0.00 C ATOM 576 CD PRO A 392 -3.999 3.144 1.163 1.00 0.00 C ATOM 0 HA PRO A 392 -5.978 5.093 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.631 4.786 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -5.209 6.163 0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.267 4.649 -0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.244 5.119 1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.184 2.502 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.122 2.747 1.674 1.00 0.00 H new ATOM 584 N CYS A 393 -7.542 3.058 0.700 1.00 0.00 N ATOM 585 CA CYS A 393 -8.860 2.619 0.268 1.00 0.00 C ATOM 586 C CYS A 393 -9.713 2.210 1.463 1.00 0.00 C ATOM 587 O CYS A 393 -9.191 1.802 2.501 1.00 0.00 O ATOM 588 CB CYS A 393 -8.732 1.441 -0.695 1.00 0.00 C ATOM 589 SG CYS A 393 -7.527 1.693 -2.040 1.00 0.00 S ATOM 0 H CYS A 393 -6.777 2.469 0.370 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.345 3.452 -0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.446 0.555 -0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.709 1.238 -1.133 1.00 0.00 H new ATOM 594 N LYS A 394 -11.025 2.313 1.304 1.00 0.00 N ATOM 595 CA LYS A 394 -11.956 1.945 2.363 1.00 0.00 C ATOM 596 C LYS A 394 -12.813 0.762 1.934 1.00 0.00 C ATOM 597 O LYS A 394 -13.550 0.835 0.945 1.00 0.00 O ATOM 598 CB LYS A 394 -12.848 3.133 2.731 1.00 0.00 C ATOM 599 CG LYS A 394 -13.808 2.848 3.876 1.00 0.00 C ATOM 600 CD LYS A 394 -13.068 2.589 5.181 1.00 0.00 C ATOM 601 CE LYS A 394 -12.287 3.814 5.633 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.577 3.575 6.920 1.00 0.00 N ATOM 0 H LYS A 394 -11.470 2.649 0.450 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.377 1.657 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.217 3.980 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.422 3.430 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.484 3.694 4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.423 1.983 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.781 2.305 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.386 1.748 5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.564 4.088 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.968 4.658 5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -11.057 4.433 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.269 3.339 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -10.909 2.786 6.807 1.00 0.00 H new ATOM 616 N TRP A 395 -12.700 -0.329 2.686 1.00 0.00 N ATOM 617 CA TRP A 395 -13.448 -1.543 2.399 1.00 0.00 C ATOM 618 C TRP A 395 -14.856 -1.478 2.982 1.00 0.00 C ATOM 619 O TRP A 395 -15.094 -0.817 3.993 1.00 0.00 O ATOM 620 CB TRP A 395 -12.721 -2.769 2.957 1.00 0.00 C ATOM 621 CG TRP A 395 -13.378 -4.061 2.582 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.950 -4.965 3.428 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.522 -4.597 1.263 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.454 -6.026 2.715 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.201 -5.826 1.384 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.148 -4.156 -0.009 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.510 -6.615 0.280 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.455 -4.942 -1.104 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.130 -6.159 -0.953 1.00 0.00 C ATOM 0 H TRP A 395 -12.093 -0.394 3.503 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.524 -1.631 1.315 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.693 -2.772 2.593 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.675 -2.694 4.043 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.000 -4.862 4.502 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.938 -6.831 3.112 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.628 -3.218 -0.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.031 -7.554 0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.169 -4.612 -2.092 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.356 -6.750 -1.828 1.00 0.00 H new ATOM 640 N HIS A 396 -15.779 -2.185 2.340 1.00 0.00 N ATOM 641 CA HIS A 396 -17.164 -2.234 2.790 1.00 0.00 C ATOM 642 C HIS A 396 -17.751 -3.617 2.530 1.00 0.00 C ATOM 643 O HIS A 396 -17.949 -4.014 1.380 1.00 0.00 O ATOM 644 CB HIS A 396 -17.999 -1.171 2.073 1.00 0.00 C ATOM 645 CG HIS A 396 -17.577 0.234 2.368 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.619 0.785 3.632 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.104 1.206 1.552 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.192 2.033 3.580 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.872 2.312 2.329 1.00 0.00 N ATOM 0 H HIS A 396 -15.591 -2.735 1.502 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.186 -2.032 3.861 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.938 -1.340 0.998 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.045 -1.293 2.356 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.940 1.125 0.488 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.117 2.711 4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.511 3.206 1.995 1.00 0.00 H new ATOM 658 N ASN A 397 -18.022 -4.347 3.608 1.00 0.00 N ATOM 659 CA ASN A 397 -18.580 -5.690 3.507 1.00 0.00 C ATOM 660 C ASN A 397 -20.069 -5.633 3.167 1.00 0.00 C ATOM 661 O ASN A 397 -20.806 -4.810 3.712 1.00 0.00 O ATOM 662 CB ASN A 397 -18.371 -6.451 4.817 1.00 0.00 C ATOM 663 CG ASN A 397 -16.924 -6.449 5.270 1.00 0.00 C ATOM 664 OD1 ASN A 397 -16.056 -7.016 4.611 1.00 0.00 O ATOM 665 ND2 ASN A 397 -16.658 -5.805 6.402 1.00 0.00 N ATOM 0 H ASN A 397 -17.863 -4.029 4.564 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.061 -6.216 2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.991 -6.005 5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.707 -7.480 4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -15.702 -5.768 6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.410 -5.348 6.917 1.00 0.00 H new ATOM 672 N ASP A 398 -20.501 -6.511 2.265 1.00 0.00 N ATOM 673 CA ASP A 398 -21.901 -6.563 1.848 1.00 0.00 C ATOM 674 C ASP A 398 -22.369 -5.202 1.341 1.00 0.00 C ATOM 675 O ASP A 398 -23.525 -4.819 1.526 1.00 0.00 O ATOM 676 CB ASP A 398 -22.786 -7.021 3.011 1.00 0.00 C ATOM 677 CG ASP A 398 -22.422 -8.407 3.509 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.488 -9.017 2.946 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.072 -8.883 4.463 1.00 0.00 O ATOM 0 H ASP A 398 -19.901 -7.198 1.808 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.985 -7.282 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.698 -6.309 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.829 -7.015 2.694 1.00 0.00 H new ATOM 684 N ALA A 399 -21.457 -4.477 0.703 1.00 0.00 N ATOM 685 CA ALA A 399 -21.757 -3.155 0.165 1.00 0.00 C ATOM 686 C ALA A 399 -22.279 -3.240 -1.261 1.00 0.00 C ATOM 687 O ALA A 399 -21.732 -2.621 -2.172 1.00 0.00 O ATOM 688 CB ALA A 399 -20.521 -2.288 0.213 1.00 0.00 C ATOM 0 H ALA A 399 -20.498 -4.785 0.545 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.538 -2.709 0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.752 -1.302 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.186 -2.188 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.731 -2.747 -0.382 1.00 0.00 H new ATOM 694 N GLU A 400 -23.329 -4.020 -1.446 1.00 0.00 N ATOM 695 CA GLU A 400 -23.924 -4.205 -2.762 1.00 0.00 C ATOM 696 C GLU A 400 -22.924 -4.880 -3.688 1.00 0.00 C ATOM 697 O GLU A 400 -22.665 -4.396 -4.792 1.00 0.00 O ATOM 698 CB GLU A 400 -24.372 -2.865 -3.356 1.00 0.00 C ATOM 699 CG GLU A 400 -25.341 -2.096 -2.473 1.00 0.00 C ATOM 700 CD GLU A 400 -26.639 -2.843 -2.238 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.345 -3.133 -3.227 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.951 -3.137 -1.065 1.00 0.00 O ATOM 0 H GLU A 400 -23.791 -4.539 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.804 -4.839 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.493 -2.247 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.841 -3.046 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.866 -1.890 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.560 -1.133 -2.934 1.00 0.00 H new ATOM 709 N ASN A 401 -22.360 -5.993 -3.205 1.00 0.00 N ATOM 710 CA ASN A 401 -21.367 -6.781 -3.939 1.00 0.00 C ATOM 711 C ASN A 401 -19.955 -6.300 -3.626 1.00 0.00 C ATOM 712 O ASN A 401 -19.104 -6.213 -4.513 1.00 0.00 O ATOM 713 CB ASN A 401 -21.619 -6.741 -5.450 1.00 0.00 C ATOM 714 CG ASN A 401 -22.993 -7.262 -5.838 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.805 -7.619 -4.847 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -23.324 -7.339 -7.022 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.583 -6.374 -2.286 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.466 -7.816 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.513 -5.715 -5.803 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.856 -7.333 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.672 -7.055 -7.753 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -24.250 -7.687 -7.271 1.00 0.00 H new ATOM 723 N LYS A 402 -19.717 -6.006 -2.348 1.00 0.00 N ATOM 724 CA LYS A 402 -18.407 -5.550 -1.879 1.00 0.00 C ATOM 725 C LYS A 402 -18.024 -4.196 -2.475 1.00 0.00 C ATOM 726 O LYS A 402 -18.347 -3.895 -3.623 1.00 0.00 O ATOM 727 CB LYS A 402 -17.332 -6.585 -2.222 1.00 0.00 C ATOM 728 CG LYS A 402 -17.632 -7.978 -1.693 1.00 0.00 C ATOM 729 CD LYS A 402 -17.713 -7.998 -0.175 1.00 0.00 C ATOM 730 CE LYS A 402 -17.991 -9.398 0.348 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.937 -10.365 -0.066 1.00 0.00 N ATOM 0 H LYS A 402 -20.421 -6.076 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.474 -5.433 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.220 -6.634 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.377 -6.251 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.574 -8.331 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.856 -8.668 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.777 -7.630 0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.500 -7.321 0.158 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.054 -9.373 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.959 -9.737 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.006 -11.224 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.069 -10.614 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.000 -9.933 0.063 1.00 0.00 H new ATOM 745 N LYS A 403 -17.321 -3.386 -1.682 1.00 0.00 N ATOM 746 CA LYS A 403 -16.877 -2.065 -2.125 1.00 0.00 C ATOM 747 C LYS A 403 -15.554 -1.674 -1.471 1.00 0.00 C ATOM 748 O LYS A 403 -15.299 -1.999 -0.312 1.00 0.00 O ATOM 749 CB LYS A 403 -17.933 -1.000 -1.814 1.00 0.00 C ATOM 750 CG LYS A 403 -19.204 -1.136 -2.637 1.00 0.00 C ATOM 751 CD LYS A 403 -20.184 -0.009 -2.350 1.00 0.00 C ATOM 752 CE LYS A 403 -19.635 1.341 -2.789 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.367 1.383 -4.254 1.00 0.00 N ATOM 0 H LYS A 403 -17.047 -3.623 -0.728 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.731 -2.120 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.189 -1.054 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.503 -0.014 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.952 -1.138 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.677 -2.094 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.124 -0.204 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.405 0.018 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.346 2.124 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.714 1.552 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.224 2.369 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.512 0.830 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.177 0.980 -4.767 1.00 0.00 H new ATOM 767 N CYS A 404 -14.720 -0.966 -2.228 1.00 0.00 N ATOM 768 CA CYS A 404 -13.421 -0.512 -1.738 1.00 0.00 C ATOM 769 C CYS A 404 -13.138 0.902 -2.242 1.00 0.00 C ATOM 770 O CYS A 404 -12.252 1.113 -3.069 1.00 0.00 O ATOM 771 CB CYS A 404 -12.309 -1.466 -2.189 1.00 0.00 C ATOM 772 SG CYS A 404 -10.644 -0.981 -1.624 1.00 0.00 S ATOM 0 H CYS A 404 -14.922 -0.693 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.445 -0.504 -0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.530 -2.467 -1.819 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.311 -1.521 -3.278 1.00 0.00 H new ATOM 777 N THR A 405 -13.910 1.863 -1.744 1.00 0.00 N ATOM 778 CA THR A 405 -13.757 3.260 -2.149 1.00 0.00 C ATOM 779 C THR A 405 -12.693 3.965 -1.322 1.00 0.00 C ATOM 780 O THR A 405 -12.677 3.853 -0.100 1.00 0.00 O ATOM 781 CB THR A 405 -15.081 4.034 -2.016 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.536 3.997 -0.658 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.147 3.449 -2.930 1.00 0.00 C ATOM 0 H THR A 405 -14.649 1.702 -1.059 1.00 0.00 H new ATOM 0 HA THR A 405 -13.451 3.247 -3.195 1.00 0.00 H new ATOM 0 HB THR A 405 -14.902 5.068 -2.311 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.779 3.810 -0.064 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.073 4.013 -2.817 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.810 3.507 -3.965 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.323 2.407 -2.663 1.00 0.00 H new ATOM 791 N LEU A 406 -11.810 4.698 -1.993 1.00 0.00 N ATOM 792 CA LEU A 406 -10.746 5.417 -1.305 1.00 0.00 C ATOM 793 C LEU A 406 -11.309 6.442 -0.331 1.00 0.00 C ATOM 794 O LEU A 406 -12.179 7.239 -0.680 1.00 0.00 O ATOM 795 CB LEU A 406 -9.832 6.129 -2.302 1.00 0.00 C ATOM 796 CG LEU A 406 -8.697 6.929 -1.663 1.00 0.00 C ATOM 797 CD1 LEU A 406 -7.642 5.998 -1.084 1.00 0.00 C ATOM 798 CD2 LEU A 406 -8.075 7.887 -2.662 1.00 0.00 C ATOM 0 H LEU A 406 -11.811 4.809 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.170 4.677 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.402 5.387 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.435 6.802 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 406 -9.119 7.518 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -6.843 6.588 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.096 5.362 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -7.230 5.376 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.271 8.443 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.673 7.324 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -8.834 8.583 -3.020 1.00 0.00 H new ATOM 810 N ASP A 407 -10.782 6.428 0.885 1.00 0.00 N ATOM 811 CA ASP A 407 -11.200 7.369 1.915 1.00 0.00 C ATOM 812 C ASP A 407 -10.258 8.567 1.920 1.00 0.00 C ATOM 813 O ASP A 407 -9.040 8.399 1.892 1.00 0.00 O ATOM 814 CB ASP A 407 -11.203 6.690 3.288 1.00 0.00 C ATOM 815 CG ASP A 407 -11.725 7.596 4.389 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.135 8.735 4.080 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.729 7.162 5.561 1.00 0.00 O ATOM 0 H ASP A 407 -10.060 5.772 1.184 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.213 7.709 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.816 5.790 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.190 6.373 3.534 1.00 0.00 H new ATOM 822 N LYS A 408 -10.816 9.771 1.940 1.00 0.00 N ATOM 823 CA LYS A 408 -9.999 10.979 1.932 1.00 0.00 C ATOM 824 C LYS A 408 -9.168 11.090 3.208 1.00 0.00 C ATOM 825 O LYS A 408 -7.959 11.308 3.152 1.00 0.00 O ATOM 826 CB LYS A 408 -10.875 12.222 1.776 1.00 0.00 C ATOM 827 CG LYS A 408 -11.741 12.207 0.525 1.00 0.00 C ATOM 828 CD LYS A 408 -12.559 13.483 0.394 1.00 0.00 C ATOM 829 CE LYS A 408 -13.543 13.643 1.544 1.00 0.00 C ATOM 830 NZ LYS A 408 -14.352 14.887 1.416 1.00 0.00 N ATOM 0 H LYS A 408 -11.822 9.937 1.962 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.321 10.913 1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.518 12.315 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.237 13.105 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.108 12.088 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -12.410 11.347 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.890 14.343 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -13.103 13.471 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -14.208 12.780 1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.998 13.660 2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -15.009 14.958 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -13.720 15.713 1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.892 14.860 0.528 1.00 0.00 H new ATOM 844 N GLU A 409 -9.823 10.940 4.354 1.00 0.00 N ATOM 845 CA GLU A 409 -9.145 11.026 5.642 1.00 0.00 C ATOM 846 C GLU A 409 -8.035 9.983 5.750 1.00 0.00 C ATOM 847 O GLU A 409 -6.951 10.266 6.261 1.00 0.00 O ATOM 848 CB GLU A 409 -10.153 10.837 6.777 1.00 0.00 C ATOM 849 CG GLU A 409 -9.534 10.925 8.161 1.00 0.00 C ATOM 850 CD GLU A 409 -10.548 10.728 9.272 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.740 10.519 8.960 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.149 10.782 10.454 1.00 0.00 O ATOM 0 H GLU A 409 -10.825 10.758 4.417 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.692 12.014 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.933 11.593 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.636 9.866 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.751 10.172 8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.057 11.898 8.279 1.00 0.00 H new ATOM 859 N GLU A 410 -8.315 8.778 5.269 1.00 0.00 N ATOM 860 CA GLU A 410 -7.345 7.688 5.314 1.00 0.00 C ATOM 861 C GLU A 410 -6.187 7.941 4.352 1.00 0.00 C ATOM 862 O GLU A 410 -5.022 7.799 4.722 1.00 0.00 O ATOM 863 CB GLU A 410 -8.023 6.359 4.973 1.00 0.00 C ATOM 864 CG GLU A 410 -7.096 5.156 5.071 1.00 0.00 C ATOM 865 CD GLU A 410 -6.587 4.913 6.480 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.999 5.652 7.400 1.00 0.00 O ATOM 867 OE2 GLU A 410 -5.780 3.978 6.666 1.00 0.00 O ATOM 0 H GLU A 410 -9.207 8.529 4.842 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.945 7.638 6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.869 6.210 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.425 6.415 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.624 4.268 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.247 5.303 4.404 1.00 0.00 H new ATOM 874 N ALA A 411 -6.516 8.316 3.121 1.00 0.00 N ATOM 875 CA ALA A 411 -5.507 8.591 2.104 1.00 0.00 C ATOM 876 C ALA A 411 -4.532 9.656 2.579 1.00 0.00 C ATOM 877 O ALA A 411 -3.316 9.496 2.472 1.00 0.00 O ATOM 878 CB ALA A 411 -6.179 9.032 0.813 1.00 0.00 C ATOM 0 H ALA A 411 -7.477 8.437 2.802 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.945 7.675 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.419 9.236 0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.840 8.241 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.760 9.936 0.996 1.00 0.00 H new ATOM 884 N LYS A 412 -5.077 10.740 3.110 1.00 0.00 N ATOM 885 CA LYS A 412 -4.271 11.839 3.616 1.00 0.00 C ATOM 886 C LYS A 412 -3.356 11.359 4.737 1.00 0.00 C ATOM 887 O LYS A 412 -2.185 11.735 4.803 1.00 0.00 O ATOM 888 CB LYS A 412 -5.186 12.952 4.118 1.00 0.00 C ATOM 889 CG LYS A 412 -6.072 13.542 3.032 1.00 0.00 C ATOM 890 CD LYS A 412 -7.142 14.451 3.615 1.00 0.00 C ATOM 891 CE LYS A 412 -6.537 15.674 4.287 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.741 16.491 3.331 1.00 0.00 N ATOM 0 H LYS A 412 -6.083 10.882 3.202 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.647 12.223 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.815 12.562 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.577 13.746 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.459 14.105 2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.545 12.737 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.820 14.769 2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.737 13.895 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.332 16.285 4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.900 15.357 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.559 17.428 3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.836 16.016 3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -6.271 16.600 2.443 1.00 0.00 H new ATOM 906 N LYS A 413 -3.903 10.526 5.617 1.00 0.00 N ATOM 907 CA LYS A 413 -3.156 9.987 6.738 1.00 0.00 C ATOM 908 C LYS A 413 -1.969 9.156 6.259 1.00 0.00 C ATOM 909 O LYS A 413 -0.850 9.320 6.743 1.00 0.00 O ATOM 910 CB LYS A 413 -4.080 9.126 7.598 1.00 0.00 C ATOM 911 CG LYS A 413 -3.523 8.840 8.975 1.00 0.00 C ATOM 912 CD LYS A 413 -4.450 7.940 9.777 1.00 0.00 C ATOM 913 CE LYS A 413 -3.909 7.691 11.176 1.00 0.00 C ATOM 914 NZ LYS A 413 -3.783 8.953 11.956 1.00 0.00 N ATOM 0 H LYS A 413 -4.872 10.210 5.570 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.770 10.818 7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -5.042 9.628 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.266 8.182 7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -2.546 8.366 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -3.373 9.778 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -5.437 8.398 9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -4.574 6.989 9.259 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -4.570 7.003 11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -2.934 7.208 11.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -3.642 8.727 12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -2.969 9.497 11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.650 9.517 11.846 1.00 0.00 H new ATOM 928 N VAL A 414 -2.224 8.263 5.305 1.00 0.00 N ATOM 929 CA VAL A 414 -1.178 7.405 4.760 1.00 0.00 C ATOM 930 C VAL A 414 -0.080 8.234 4.106 1.00 0.00 C ATOM 931 O VAL A 414 1.105 8.032 4.372 1.00 0.00 O ATOM 932 CB VAL A 414 -1.747 6.413 3.728 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.649 5.510 3.190 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.871 5.591 4.340 1.00 0.00 C ATOM 0 H VAL A 414 -3.146 8.116 4.894 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.757 6.843 5.594 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.157 6.983 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.072 4.817 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.118 6.117 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.205 4.948 4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.260 4.896 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.489 5.032 5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.670 6.255 4.669 1.00 0.00 H new ATOM 944 N ALA A 415 -0.484 9.175 3.259 1.00 0.00 N ATOM 945 CA ALA A 415 0.464 10.045 2.577 1.00 0.00 C ATOM 946 C ALA A 415 1.301 10.815 3.590 1.00 0.00 C ATOM 947 O ALA A 415 2.490 11.053 3.380 1.00 0.00 O ATOM 948 CB ALA A 415 -0.270 11.004 1.652 1.00 0.00 C ATOM 0 H ALA A 415 -1.462 9.354 3.029 1.00 0.00 H new ATOM 0 HA ALA A 415 1.132 9.429 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.451 11.648 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.829 10.436 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.959 11.616 2.235 1.00 0.00 H new ATOM 954 N ASP A 416 0.667 11.192 4.696 1.00 0.00 N ATOM 955 CA ASP A 416 1.344 11.930 5.757 1.00 0.00 C ATOM 956 C ASP A 416 2.140 10.979 6.651 1.00 0.00 C ATOM 957 O ASP A 416 2.205 11.157 7.867 1.00 0.00 O ATOM 958 CB ASP A 416 0.323 12.704 6.590 1.00 0.00 C ATOM 959 CG ASP A 416 0.972 13.623 7.607 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.732 14.525 7.193 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.721 13.442 8.817 1.00 0.00 O ATOM 0 H ASP A 416 -0.317 10.998 4.881 1.00 0.00 H new ATOM 0 HA ASP A 416 2.038 12.635 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.310 13.293 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.327 11.999 7.107 1.00 0.00 H new ATOM 966 N GLU A 417 2.739 9.967 6.036 1.00 0.00 N ATOM 967 CA GLU A 417 3.528 8.979 6.767 1.00 0.00 C ATOM 968 C GLU A 417 4.689 8.459 5.922 1.00 0.00 C ATOM 969 O GLU A 417 5.789 8.244 6.431 1.00 0.00 O ATOM 970 CB GLU A 417 2.647 7.806 7.209 1.00 0.00 C ATOM 971 CG GLU A 417 1.566 8.191 8.206 1.00 0.00 C ATOM 972 CD GLU A 417 0.700 7.014 8.617 1.00 0.00 C ATOM 973 OE1 GLU A 417 0.931 5.898 8.106 1.00 0.00 O ATOM 974 OE2 GLU A 417 -0.210 7.210 9.451 1.00 0.00 O ATOM 0 H GLU A 417 2.694 9.807 5.030 1.00 0.00 H new ATOM 0 HA GLU A 417 3.937 9.474 7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.177 7.366 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 417 3.279 7.036 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 417 2.032 8.621 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 417 0.935 8.966 7.770 1.00 0.00 H new ATOM 981 N THR A 418 4.439 8.252 4.631 1.00 0.00 N ATOM 982 CA THR A 418 5.466 7.750 3.726 1.00 0.00 C ATOM 983 C THR A 418 5.290 8.315 2.318 1.00 0.00 C ATOM 984 O THR A 418 5.193 7.570 1.340 1.00 0.00 O ATOM 985 CB THR A 418 5.461 6.211 3.671 1.00 0.00 C ATOM 986 OG1 THR A 418 6.428 5.745 2.722 1.00 0.00 O ATOM 987 CG2 THR A 418 4.084 5.698 3.302 1.00 0.00 C ATOM 0 H THR A 418 3.535 8.424 4.190 1.00 0.00 H new ATOM 0 HA THR A 418 6.427 8.083 4.119 1.00 0.00 H new ATOM 0 HB THR A 418 5.723 5.830 4.658 1.00 0.00 H new ATOM 0 HG1 THR A 418 6.226 6.119 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 418 4.099 4.609 3.268 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.361 6.028 4.048 1.00 0.00 H new ATOM 0 HG23 THR A 418 3.800 6.088 2.324 1.00 0.00 H new ATOM 995 N ALA A 419 5.254 9.640 2.222 1.00 0.00 N ATOM 996 CA ALA A 419 5.094 10.313 0.939 1.00 0.00 C ATOM 997 C ALA A 419 5.427 11.796 1.055 1.00 0.00 C ATOM 998 O ALA A 419 6.161 12.342 0.231 1.00 0.00 O ATOM 999 CB ALA A 419 3.676 10.130 0.420 1.00 0.00 C ATOM 0 H ALA A 419 5.334 10.270 3.020 1.00 0.00 H new ATOM 0 HA ALA A 419 5.790 9.863 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 419 3.571 10.638 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 419 3.470 9.067 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 419 2.970 10.553 1.134 1.00 0.00 H new ATOM 1005 N LYS A 420 4.884 12.441 2.086 1.00 0.00 N ATOM 1006 CA LYS A 420 5.125 13.863 2.316 1.00 0.00 C ATOM 1007 C LYS A 420 4.742 14.688 1.092 1.00 0.00 C ATOM 1008 O LYS A 420 5.480 15.585 0.679 1.00 0.00 O ATOM 1009 CB LYS A 420 6.595 14.102 2.675 1.00 0.00 C ATOM 1010 CG LYS A 420 7.033 13.403 3.953 1.00 0.00 C ATOM 1011 CD LYS A 420 6.273 13.922 5.165 1.00 0.00 C ATOM 1012 CE LYS A 420 6.689 13.199 6.435 1.00 0.00 C ATOM 1013 NZ LYS A 420 6.408 11.739 6.360 1.00 0.00 N ATOM 0 H LYS A 420 4.274 12.001 2.775 1.00 0.00 H new ATOM 0 HA LYS A 420 4.500 14.181 3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 420 7.221 13.760 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 420 6.765 15.174 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.872 12.329 3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 420 8.102 13.553 4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 420 6.453 14.991 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 420 5.202 13.794 5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 420 7.754 13.355 6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 420 6.160 13.627 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 6.480 11.322 7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 5.449 11.589 5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 7.099 11.284 5.730 1.00 0.00 H new ATOM 1027 N ASP A 421 3.584 14.383 0.515 1.00 0.00 N ATOM 1028 CA ASP A 421 3.105 15.099 -0.662 1.00 0.00 C ATOM 1029 C ASP A 421 2.878 16.574 -0.348 1.00 0.00 C ATOM 1030 O ASP A 421 2.258 16.916 0.659 1.00 0.00 O ATOM 1031 CB ASP A 421 1.808 14.470 -1.174 1.00 0.00 C ATOM 1032 CG ASP A 421 1.989 13.018 -1.570 1.00 0.00 C ATOM 1033 OD1 ASP A 421 2.812 12.745 -2.468 1.00 0.00 O ATOM 1034 OD2 ASP A 421 1.308 12.153 -0.979 1.00 0.00 O ATOM 0 H ASP A 421 2.960 13.645 0.843 1.00 0.00 H new ATOM 0 HA ASP A 421 3.868 15.025 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 421 1.043 14.541 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 421 1.447 15.036 -2.033 1.00 0.00 H new ATOM 1039 N GLY A 422 3.383 17.444 -1.218 1.00 0.00 N ATOM 1040 CA GLY A 422 3.225 18.873 -1.016 1.00 0.00 C ATOM 1041 C GLY A 422 3.902 19.363 0.249 1.00 0.00 C ATOM 1042 O GLY A 422 3.304 20.099 1.034 1.00 0.00 O ATOM 0 H GLY A 422 3.899 17.185 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 422 3.637 19.405 -1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 422 2.163 19.114 -0.972 1.00 0.00 H new ATOM 1046 N LYS A 423 5.154 18.956 0.445 1.00 0.00 N ATOM 1047 CA LYS A 423 5.916 19.359 1.622 1.00 0.00 C ATOM 1048 C LYS A 423 7.380 18.949 1.491 1.00 0.00 C ATOM 1049 O LYS A 423 8.280 19.747 1.751 1.00 0.00 O ATOM 1050 CB LYS A 423 5.313 18.740 2.886 1.00 0.00 C ATOM 1051 CG LYS A 423 6.063 19.103 4.158 1.00 0.00 C ATOM 1052 CD LYS A 423 5.409 18.491 5.389 1.00 0.00 C ATOM 1053 CE LYS A 423 4.019 19.059 5.625 1.00 0.00 C ATOM 1054 NZ LYS A 423 4.051 20.532 5.840 1.00 0.00 N ATOM 0 H LYS A 423 5.662 18.347 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 423 5.866 20.445 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 423 4.276 19.064 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 423 5.300 17.655 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 423 7.094 18.758 4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 423 6.096 20.187 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 423 5.345 17.410 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 423 6.032 18.678 6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 423 3.383 18.831 4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 423 3.571 18.575 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 3.144 20.844 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 4.822 20.770 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 4.209 21.012 4.931 1.00 0.00 H new ATOM 1068 N THR A 424 7.604 17.701 1.084 1.00 0.00 N ATOM 1069 CA THR A 424 8.954 17.170 0.911 1.00 0.00 C ATOM 1070 C THR A 424 9.827 17.467 2.132 1.00 0.00 C ATOM 1071 O THR A 424 9.366 17.358 3.268 1.00 0.00 O ATOM 1072 CB THR A 424 9.621 17.735 -0.359 1.00 0.00 C ATOM 1073 OG1 THR A 424 9.760 19.157 -0.256 1.00 0.00 O ATOM 1074 CG2 THR A 424 8.804 17.390 -1.595 1.00 0.00 C ATOM 0 H THR A 424 6.862 17.035 0.867 1.00 0.00 H new ATOM 0 HA THR A 424 8.861 16.089 0.803 1.00 0.00 H new ATOM 0 HB THR A 424 10.608 17.283 -0.453 1.00 0.00 H new ATOM 0 HG1 THR A 424 9.533 19.443 0.654 1.00 0.00 H new ATOM 0 HG21 THR A 424 9.293 17.798 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 424 8.728 16.307 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 424 7.806 17.817 -1.502 1.00 0.00 H new ATOM 1082 N GLY A 425 11.084 17.841 1.896 1.00 0.00 N ATOM 1083 CA GLY A 425 11.984 18.144 2.995 1.00 0.00 C ATOM 1084 C GLY A 425 13.360 18.570 2.520 1.00 0.00 C ATOM 1085 O GLY A 425 13.934 17.949 1.624 1.00 0.00 O ATOM 0 H GLY A 425 11.493 17.939 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 425 11.552 18.937 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 425 12.080 17.266 3.634 1.00 0.00 H new ATOM 1089 N ASN A 426 13.891 19.630 3.124 1.00 0.00 N ATOM 1090 CA ASN A 426 15.209 20.143 2.761 1.00 0.00 C ATOM 1091 C ASN A 426 16.289 19.091 2.999 1.00 0.00 C ATOM 1092 O ASN A 426 16.289 18.410 4.025 1.00 0.00 O ATOM 1093 CB ASN A 426 15.523 21.405 3.566 1.00 0.00 C ATOM 1094 CG ASN A 426 14.502 22.503 3.340 1.00 0.00 C ATOM 1095 OD1 ASN A 426 14.321 22.974 2.218 1.00 0.00 O ATOM 1096 ND2 ASN A 426 13.828 22.914 4.408 1.00 0.00 N ATOM 0 H ASN A 426 13.428 20.151 3.868 1.00 0.00 H new ATOM 0 HA ASN A 426 15.197 20.389 1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 426 15.557 21.157 4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 426 16.513 21.771 3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 426 13.127 23.649 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 426 14.011 22.494 5.319 1.00 0.00 H new ATOM 1103 N THR A 427 17.209 18.967 2.045 1.00 0.00 N ATOM 1104 CA THR A 427 18.298 17.998 2.145 1.00 0.00 C ATOM 1105 C THR A 427 19.545 18.496 1.419 1.00 0.00 C ATOM 1106 O THR A 427 20.190 17.743 0.687 1.00 0.00 O ATOM 1107 CB THR A 427 17.895 16.630 1.556 1.00 0.00 C ATOM 1108 OG1 THR A 427 17.488 16.786 0.192 1.00 0.00 O ATOM 1109 CG2 THR A 427 16.767 15.995 2.357 1.00 0.00 C ATOM 0 H THR A 427 17.222 19.527 1.192 1.00 0.00 H new ATOM 0 HA THR A 427 18.515 17.880 3.207 1.00 0.00 H new ATOM 0 HB THR A 427 18.763 15.973 1.607 1.00 0.00 H new ATOM 0 HG1 THR A 427 17.235 15.913 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 427 16.506 15.032 1.917 1.00 0.00 H new ATOM 0 HG22 THR A 427 17.091 15.847 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 427 15.896 16.650 2.341 1.00 0.00 H new ATOM 1117 N ASN A 428 19.882 19.766 1.630 1.00 0.00 N ATOM 1118 CA ASN A 428 21.052 20.367 1.002 1.00 0.00 C ATOM 1119 C ASN A 428 21.252 21.805 1.486 1.00 0.00 C ATOM 1120 O ASN A 428 21.094 22.092 2.673 1.00 0.00 O ATOM 1121 CB ASN A 428 20.911 20.332 -0.524 1.00 0.00 C ATOM 1122 CG ASN A 428 19.684 21.080 -1.009 1.00 0.00 C ATOM 1123 OD1 ASN A 428 18.555 20.736 -0.661 1.00 0.00 O ATOM 1124 ND2 ASN A 428 19.902 22.111 -1.817 1.00 0.00 N ATOM 0 H ASN A 428 19.358 20.400 2.234 1.00 0.00 H new ATOM 0 HA ASN A 428 21.930 19.787 1.287 1.00 0.00 H new ATOM 0 HB2 ASN A 428 21.801 20.767 -0.978 1.00 0.00 H new ATOM 0 HB3 ASN A 428 20.857 19.296 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 428 19.116 22.653 -2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 428 20.856 22.361 -2.079 1.00 0.00 H new ATOM 1131 N THR A 429 21.598 22.705 0.564 1.00 0.00 N ATOM 1132 CA THR A 429 21.815 24.107 0.906 1.00 0.00 C ATOM 1133 C THR A 429 20.600 24.691 1.618 1.00 0.00 C ATOM 1134 O THR A 429 19.463 24.320 1.324 1.00 0.00 O ATOM 1135 CB THR A 429 22.121 24.953 -0.344 1.00 0.00 C ATOM 1136 OG1 THR A 429 21.045 24.847 -1.286 1.00 0.00 O ATOM 1137 CG2 THR A 429 23.421 24.503 -0.995 1.00 0.00 C ATOM 0 H THR A 429 21.733 22.486 -0.423 1.00 0.00 H new ATOM 0 HA THR A 429 22.676 24.140 1.573 1.00 0.00 H new ATOM 0 HB THR A 429 22.228 25.993 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 429 21.248 25.389 -2.077 1.00 0.00 H new ATOM 0 HG21 THR A 429 23.617 25.114 -1.876 1.00 0.00 H new ATOM 0 HG22 THR A 429 24.241 24.615 -0.286 1.00 0.00 H new ATOM 0 HG23 THR A 429 23.337 23.457 -1.290 1.00 0.00 H new ATOM 1145 N THR A 430 20.859 25.596 2.565 1.00 0.00 N ATOM 1146 CA THR A 430 19.802 26.239 3.350 1.00 0.00 C ATOM 1147 C THR A 430 19.256 25.292 4.416 1.00 0.00 C ATOM 1148 O THR A 430 19.001 25.701 5.549 1.00 0.00 O ATOM 1149 CB THR A 430 18.642 26.737 2.462 1.00 0.00 C ATOM 1150 OG1 THR A 430 19.134 27.659 1.483 1.00 0.00 O ATOM 1151 CG2 THR A 430 17.564 27.410 3.301 1.00 0.00 C ATOM 0 H THR A 430 21.801 25.902 2.808 1.00 0.00 H new ATOM 0 HA THR A 430 20.257 27.103 3.834 1.00 0.00 H new ATOM 0 HB THR A 430 18.204 25.874 1.961 1.00 0.00 H new ATOM 0 HG1 THR A 430 18.392 27.969 0.923 1.00 0.00 H new ATOM 0 HG21 THR A 430 16.758 27.752 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 430 17.169 26.698 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 430 17.992 28.263 3.828 1.00 0.00 H new ATOM 1159 N GLY A 431 19.090 24.023 4.053 1.00 0.00 N ATOM 1160 CA GLY A 431 18.591 23.039 4.992 1.00 0.00 C ATOM 1161 C GLY A 431 19.668 22.577 5.949 1.00 0.00 C ATOM 1162 O GLY A 431 20.363 23.396 6.551 1.00 0.00 O ATOM 0 H GLY A 431 19.294 23.660 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 431 17.761 23.464 5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 431 18.199 22.182 4.445 1.00 0.00 H new ATOM 1166 N SER A 432 19.817 21.265 6.085 1.00 0.00 N ATOM 1167 CA SER A 432 20.829 20.706 6.969 1.00 0.00 C ATOM 1168 C SER A 432 22.226 21.019 6.445 1.00 0.00 C ATOM 1169 O SER A 432 22.627 20.529 5.388 1.00 0.00 O ATOM 1170 CB SER A 432 20.646 19.193 7.099 1.00 0.00 C ATOM 1171 OG SER A 432 19.365 18.878 7.618 1.00 0.00 O ATOM 0 H SER A 432 19.251 20.571 5.596 1.00 0.00 H new ATOM 0 HA SER A 432 20.714 21.160 7.953 1.00 0.00 H new ATOM 0 HB2 SER A 432 20.773 18.723 6.124 1.00 0.00 H new ATOM 0 HB3 SER A 432 21.417 18.785 7.752 1.00 0.00 H new ATOM 0 HG SER A 432 19.271 17.905 7.690 1.00 0.00 H new ATOM 1177 N SER A 433 22.960 21.840 7.189 1.00 0.00 N ATOM 1178 CA SER A 433 24.315 22.228 6.807 1.00 0.00 C ATOM 1179 C SER A 433 24.325 22.909 5.441 1.00 0.00 C ATOM 1180 O SER A 433 24.063 24.130 5.388 1.00 0.00 O ATOM 1181 CB SER A 433 25.237 21.007 6.792 1.00 0.00 C ATOM 1182 OG SER A 433 26.556 21.369 6.421 1.00 0.00 O ATOM 1183 OXT SER A 433 24.591 22.217 4.437 1.00 0.00 O ATOM 0 H SER A 433 22.638 22.252 8.065 1.00 0.00 H new ATOM 0 HA SER A 433 24.682 22.939 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 433 25.248 20.543 7.778 1.00 0.00 H new ATOM 0 HB3 SER A 433 24.851 20.264 6.094 1.00 0.00 H new ATOM 0 HG SER A 433 27.126 20.572 6.420 1.00 0.00 H new TER 1189 SER A 433