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 426 ASN :FLIP amide:sc= -4.29! C(o=-5.7!,f=-5!) USER MOD Set 1.2: A 433 SER OG : rot 180:sc= -0.686 USER MOD Set 2.1: A 396 HIS : no HD1:sc= 0.302 K(o=0.53,f=-3) USER MOD Set 2.2: A 405 THR OG1 : rot 141:sc= 0.228 USER MOD Set 3.1: A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc=-0.00439 X(o=-0.0044,f=-0.0044) USER MOD Single : A 357 MET CE :methyl 160:sc= -0.152 (180deg=-0.715) USER MOD Single : A 362 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 363 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 364 LYS NZ :NH3+ -146:sc= -3.19! (180deg=-5.79!) USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 371 GLN : amide:sc= -0.0575 X(o=-0.058,f=-0.058) USER MOD Single : A 372 GLN : amide:sc= -2.17 K(o=-2.2,f=-8.4!) USER MOD Single : A 373 GLN :FLIP amide:sc= -1.69! C(o=-3.2!,f=-1.7!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.86 F(o=-4!,f=-0.86) 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= -2.04! C(o=-2!,f=-2!) USER MOD Single : A 387 ASN :FLIP amide:sc= -0.358 F(o=-2.1!,f=-0.36) USER MOD Single : A 390 LYS NZ :NH3+ 147:sc= -0.452 (180deg=-0.834) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -172:sc= 0.066 (180deg=-0.0337) USER MOD Single : A 397 ASN : amide:sc= -0.515 X(o=-0.51,f=-0.8!) USER MOD Single : A 401 ASN : amide:sc= -0.721 X(o=-0.72,f=-0.47) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 LYS NZ :NH3+ -166:sc= -0.0205 (180deg=-0.292) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 168:sc= -0.0407 (180deg=-0.222) USER MOD Single : A 418 THR OG1 : rot -56:sc= 1.2 USER MOD Single : A 420 LYS NZ :NH3+ -166:sc= -0.0633 (180deg=-0.318) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 427 THR OG1 : rot -160:sc= -0.0547 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 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 19.583 -17.226 -8.778 1.00 0.00 N ATOM 2 CA GLY A 354 18.281 -16.722 -9.296 1.00 0.00 C ATOM 3 C GLY A 354 17.099 -17.269 -8.521 1.00 0.00 C ATOM 4 O GLY A 354 16.170 -16.531 -8.193 1.00 0.00 O ATOM 0 HA2 GLY A 354 18.271 -15.633 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 354 18.181 -16.995 -10.346 1.00 0.00 H new ATOM 10 N SER A 355 17.136 -18.565 -8.228 1.00 0.00 N ATOM 11 CA SER A 355 16.060 -19.214 -7.486 1.00 0.00 C ATOM 12 C SER A 355 15.883 -18.573 -6.113 1.00 0.00 C ATOM 13 O SER A 355 14.762 -18.305 -5.683 1.00 0.00 O ATOM 14 CB SER A 355 16.350 -20.707 -7.328 1.00 0.00 C ATOM 15 OG SER A 355 16.478 -21.339 -8.590 1.00 0.00 O ATOM 0 H SER A 355 17.900 -19.187 -8.493 1.00 0.00 H new ATOM 0 HA SER A 355 15.136 -19.087 -8.050 1.00 0.00 H new ATOM 0 HB2 SER A 355 17.267 -20.844 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 355 15.547 -21.179 -6.762 1.00 0.00 H new ATOM 0 HG SER A 355 16.665 -22.292 -8.461 1.00 0.00 H new ATOM 21 N HIS A 356 16.999 -18.330 -5.434 1.00 0.00 N ATOM 22 CA HIS A 356 16.975 -17.720 -4.109 1.00 0.00 C ATOM 23 C HIS A 356 16.418 -16.301 -4.174 1.00 0.00 C ATOM 24 O HIS A 356 16.772 -15.528 -5.064 1.00 0.00 O ATOM 25 CB HIS A 356 18.382 -17.697 -3.510 1.00 0.00 C ATOM 26 CG HIS A 356 19.038 -19.044 -3.467 1.00 0.00 C ATOM 27 ND1 HIS A 356 18.496 -20.126 -2.807 1.00 0.00 N ATOM 28 CD2 HIS A 356 20.199 -19.480 -4.011 1.00 0.00 C ATOM 29 CE1 HIS A 356 19.294 -21.170 -2.946 1.00 0.00 C ATOM 30 NE2 HIS A 356 20.335 -20.804 -3.673 1.00 0.00 N ATOM 0 H HIS A 356 17.934 -18.547 -5.780 1.00 0.00 H new ATOM 0 HA HIS A 356 16.325 -18.320 -3.472 1.00 0.00 H new ATOM 0 HB2 HIS A 356 19.005 -17.017 -4.092 1.00 0.00 H new ATOM 0 HB3 HIS A 356 18.331 -17.295 -2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 356 20.889 -18.895 -4.601 1.00 0.00 H new ATOM 0 HE1 HIS A 356 19.124 -22.154 -2.535 1.00 0.00 H new ATOM 0 HE2 HIS A 356 21.113 -21.407 -3.940 1.00 0.00 H new ATOM 39 N MET A 357 15.548 -15.967 -3.227 1.00 0.00 N ATOM 40 CA MET A 357 14.944 -14.639 -3.175 1.00 0.00 C ATOM 41 C MET A 357 16.009 -13.563 -2.982 1.00 0.00 C ATOM 42 O MET A 357 16.976 -13.758 -2.245 1.00 0.00 O ATOM 43 CB MET A 357 13.915 -14.566 -2.046 1.00 0.00 C ATOM 44 CG MET A 357 12.780 -15.567 -2.192 1.00 0.00 C ATOM 45 SD MET A 357 11.559 -15.432 -0.871 1.00 0.00 S ATOM 46 CE MET A 357 10.950 -13.768 -1.135 1.00 0.00 C ATOM 0 H MET A 357 15.245 -16.597 -2.484 1.00 0.00 H new ATOM 0 HA MET A 357 14.441 -14.459 -4.125 1.00 0.00 H new ATOM 0 HB2 MET A 357 14.419 -14.737 -1.095 1.00 0.00 H new ATOM 0 HB3 MET A 357 13.498 -13.559 -2.010 1.00 0.00 H new ATOM 0 HG2 MET A 357 12.288 -15.415 -3.153 1.00 0.00 H new ATOM 0 HG3 MET A 357 13.190 -16.577 -2.200 1.00 0.00 H new ATOM 0 HE1 MET A 357 9.977 -13.656 -0.656 1.00 0.00 H new ATOM 0 HE2 MET A 357 11.650 -13.052 -0.705 1.00 0.00 H new ATOM 0 HE3 MET A 357 10.852 -13.582 -2.204 1.00 0.00 H new ATOM 56 N LEU A 358 15.827 -12.428 -3.653 1.00 0.00 N ATOM 57 CA LEU A 358 16.773 -11.321 -3.557 1.00 0.00 C ATOM 58 C LEU A 358 16.149 -10.029 -4.074 1.00 0.00 C ATOM 59 O LEU A 358 15.447 -10.031 -5.086 1.00 0.00 O ATOM 60 CB LEU A 358 18.055 -11.629 -4.343 1.00 0.00 C ATOM 61 CG LEU A 358 17.909 -11.652 -5.869 1.00 0.00 C ATOM 62 CD1 LEU A 358 19.269 -11.821 -6.530 1.00 0.00 C ATOM 63 CD2 LEU A 358 16.969 -12.765 -6.309 1.00 0.00 C ATOM 0 H LEU A 358 15.033 -12.252 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 358 17.028 -11.192 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 358 18.808 -10.886 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 358 18.435 -12.598 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 358 17.481 -10.699 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 358 19.148 -11.835 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 358 19.916 -10.990 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 358 19.719 -12.758 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 358 16.882 -12.760 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 358 17.365 -13.726 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 358 15.986 -12.607 -5.866 1.00 0.00 H new ATOM 75 N GLU A 359 16.409 -8.929 -3.367 1.00 0.00 N ATOM 76 CA GLU A 359 15.877 -7.620 -3.740 1.00 0.00 C ATOM 77 C GLU A 359 14.355 -7.594 -3.628 1.00 0.00 C ATOM 78 O GLU A 359 13.673 -8.517 -4.072 1.00 0.00 O ATOM 79 CB GLU A 359 16.299 -7.252 -5.166 1.00 0.00 C ATOM 80 CG GLU A 359 17.806 -7.194 -5.368 1.00 0.00 C ATOM 81 CD GLU A 359 18.472 -6.114 -4.535 1.00 0.00 C ATOM 82 OE1 GLU A 359 18.396 -6.188 -3.290 1.00 0.00 O ATOM 83 OE2 GLU A 359 19.074 -5.194 -5.129 1.00 0.00 O ATOM 0 H GLU A 359 16.989 -8.920 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 359 16.288 -6.886 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 359 15.877 -7.981 -5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 359 15.870 -6.283 -5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 359 18.239 -8.161 -5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 359 18.020 -7.017 -6.422 1.00 0.00 H new ATOM 90 N VAL A 360 13.828 -6.527 -3.035 1.00 0.00 N ATOM 91 CA VAL A 360 12.387 -6.384 -2.870 1.00 0.00 C ATOM 92 C VAL A 360 11.679 -6.397 -4.222 1.00 0.00 C ATOM 93 O VAL A 360 12.127 -5.759 -5.174 1.00 0.00 O ATOM 94 CB VAL A 360 12.029 -5.085 -2.117 1.00 0.00 C ATOM 95 CG1 VAL A 360 12.594 -5.113 -0.705 1.00 0.00 C ATOM 96 CG2 VAL A 360 12.536 -3.867 -2.874 1.00 0.00 C ATOM 0 H VAL A 360 14.376 -5.752 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 360 12.048 -7.234 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 360 10.943 -5.016 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 360 12.331 -4.189 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 360 12.177 -5.962 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 360 13.679 -5.208 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 360 12.273 -2.962 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 360 13.620 -3.927 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 360 12.079 -3.837 -3.863 1.00 0.00 H new ATOM 106 N LEU A 361 10.574 -7.132 -4.299 1.00 0.00 N ATOM 107 CA LEU A 361 9.808 -7.232 -5.536 1.00 0.00 C ATOM 108 C LEU A 361 9.295 -5.861 -5.968 1.00 0.00 C ATOM 109 O LEU A 361 9.360 -5.513 -7.148 1.00 0.00 O ATOM 110 CB LEU A 361 8.630 -8.202 -5.371 1.00 0.00 C ATOM 111 CG LEU A 361 9.002 -9.681 -5.192 1.00 0.00 C ATOM 112 CD1 LEU A 361 9.860 -10.166 -6.352 1.00 0.00 C ATOM 113 CD2 LEU A 361 9.715 -9.907 -3.867 1.00 0.00 C ATOM 0 H LEU A 361 10.189 -7.667 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 361 10.473 -7.617 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.043 -7.888 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.985 -8.112 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 361 8.079 -10.261 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 361 10.112 -11.216 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.308 -10.053 -7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 361 10.776 -9.577 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 361 9.967 -10.962 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 361 10.627 -9.311 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 361 9.062 -9.609 -3.047 1.00 0.00 H new ATOM 125 N THR A 362 8.789 -5.094 -5.001 1.00 0.00 N ATOM 126 CA THR A 362 8.257 -3.752 -5.253 1.00 0.00 C ATOM 127 C THR A 362 6.893 -3.807 -5.944 1.00 0.00 C ATOM 128 O THR A 362 5.987 -3.046 -5.600 1.00 0.00 O ATOM 129 CB THR A 362 9.223 -2.900 -6.104 1.00 0.00 C ATOM 130 OG1 THR A 362 10.478 -2.759 -5.427 1.00 0.00 O ATOM 131 CG2 THR A 362 8.635 -1.523 -6.381 1.00 0.00 C ATOM 0 H THR A 362 8.736 -5.383 -4.024 1.00 0.00 H new ATOM 0 HA THR A 362 8.143 -3.282 -4.276 1.00 0.00 H new ATOM 0 HB THR A 362 9.377 -3.409 -7.055 1.00 0.00 H new ATOM 0 HG1 THR A 362 11.086 -2.219 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 362 9.335 -0.943 -6.982 1.00 0.00 H new ATOM 0 HG22 THR A 362 7.695 -1.631 -6.922 1.00 0.00 H new ATOM 0 HG23 THR A 362 8.454 -1.008 -5.437 1.00 0.00 H new ATOM 139 N GLN A 363 6.752 -4.706 -6.913 1.00 0.00 N ATOM 140 CA GLN A 363 5.499 -4.852 -7.647 1.00 0.00 C ATOM 141 C GLN A 363 5.547 -6.072 -8.563 1.00 0.00 C ATOM 142 O GLN A 363 5.230 -5.985 -9.751 1.00 0.00 O ATOM 143 CB GLN A 363 5.207 -3.591 -8.463 1.00 0.00 C ATOM 144 CG GLN A 363 6.319 -3.218 -9.432 1.00 0.00 C ATOM 145 CD GLN A 363 5.999 -1.985 -10.261 1.00 0.00 C ATOM 146 OE1 GLN A 363 4.800 -1.434 -10.085 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 6.821 -1.532 -11.056 1.00 0.00 N flip ATOM 0 H GLN A 363 7.490 -5.345 -7.209 1.00 0.00 H new ATOM 0 HA GLN A 363 4.697 -4.995 -6.923 1.00 0.00 H new ATOM 0 HB2 GLN A 363 4.283 -3.737 -9.023 1.00 0.00 H new ATOM 0 HB3 GLN A 363 5.038 -2.758 -7.780 1.00 0.00 H new ATOM 0 HG2 GLN A 363 7.238 -3.043 -8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 363 6.508 -4.058 -10.100 1.00 0.00 H new ATOM 0 HE21 GLN A 363 7.730 -1.983 -11.162 1.00 0.00 H new ATOM 0 HE22 GLN A 363 6.594 -0.705 -11.609 1.00 0.00 H new ATOM 156 N LYS A 364 5.944 -7.211 -8.004 1.00 0.00 N ATOM 157 CA LYS A 364 6.033 -8.448 -8.769 1.00 0.00 C ATOM 158 C LYS A 364 5.587 -9.634 -7.924 1.00 0.00 C ATOM 159 O LYS A 364 6.052 -9.810 -6.797 1.00 0.00 O ATOM 160 CB LYS A 364 7.464 -8.671 -9.261 1.00 0.00 C ATOM 161 CG LYS A 364 8.005 -7.527 -10.104 1.00 0.00 C ATOM 162 CD LYS A 364 9.421 -7.801 -10.596 1.00 0.00 C ATOM 163 CE LYS A 364 9.453 -8.864 -11.687 1.00 0.00 C ATOM 164 NZ LYS A 364 9.022 -10.201 -11.192 1.00 0.00 N ATOM 0 H LYS A 364 6.209 -7.302 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 364 5.372 -8.362 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 364 8.116 -8.816 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 364 7.499 -9.590 -9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 364 7.349 -7.365 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 364 7.996 -6.608 -9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 364 9.857 -6.878 -10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 364 10.039 -8.123 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 364 8.805 -8.557 -12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 364 10.463 -8.937 -12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 9.556 -10.943 -11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 9.203 -10.268 -10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 8.006 -10.327 -11.373 1.00 0.00 H new ATOM 178 N HIS A 365 4.685 -10.439 -8.485 1.00 0.00 N ATOM 179 CA HIS A 365 4.149 -11.621 -7.808 1.00 0.00 C ATOM 180 C HIS A 365 3.178 -11.234 -6.694 1.00 0.00 C ATOM 181 O HIS A 365 2.036 -11.696 -6.672 1.00 0.00 O ATOM 182 CB HIS A 365 5.282 -12.484 -7.243 1.00 0.00 C ATOM 183 CG HIS A 365 4.804 -13.690 -6.492 1.00 0.00 C ATOM 184 ND1 HIS A 365 4.013 -14.667 -7.061 1.00 0.00 N ATOM 185 CD2 HIS A 365 5.012 -14.076 -5.210 1.00 0.00 C ATOM 186 CE1 HIS A 365 3.755 -15.600 -6.162 1.00 0.00 C ATOM 187 NE2 HIS A 365 4.350 -15.265 -5.032 1.00 0.00 N ATOM 0 H HIS A 365 4.305 -10.291 -9.420 1.00 0.00 H new ATOM 0 HA HIS A 365 3.601 -12.202 -8.550 1.00 0.00 H new ATOM 0 HB2 HIS A 365 5.923 -12.808 -8.063 1.00 0.00 H new ATOM 0 HB3 HIS A 365 5.896 -11.874 -6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 365 5.591 -13.547 -4.467 1.00 0.00 H new ATOM 0 HE1 HIS A 365 3.159 -16.486 -6.324 1.00 0.00 H new ATOM 0 HE2 HIS A 365 4.322 -15.803 -4.166 1.00 0.00 H new ATOM 196 N LYS A 366 3.627 -10.386 -5.774 1.00 0.00 N ATOM 197 CA LYS A 366 2.784 -9.947 -4.667 1.00 0.00 C ATOM 198 C LYS A 366 1.849 -8.821 -5.106 1.00 0.00 C ATOM 199 O LYS A 366 2.287 -7.841 -5.708 1.00 0.00 O ATOM 200 CB LYS A 366 3.649 -9.486 -3.492 1.00 0.00 C ATOM 201 CG LYS A 366 2.842 -9.071 -2.271 1.00 0.00 C ATOM 202 CD LYS A 366 3.740 -8.674 -1.108 1.00 0.00 C ATOM 203 CE LYS A 366 4.584 -9.844 -0.626 1.00 0.00 C ATOM 204 NZ LYS A 366 5.458 -9.466 0.519 1.00 0.00 N ATOM 0 H LYS A 366 4.567 -9.990 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 366 2.175 -10.793 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 366 4.328 -10.292 -3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 366 4.266 -8.646 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 366 2.193 -8.235 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 366 2.195 -9.894 -1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 366 4.392 -7.856 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 366 3.128 -8.303 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 366 3.931 -10.664 -0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 366 5.200 -10.209 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 6.016 -10.291 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 6.099 -8.701 0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 4.869 -9.141 1.313 1.00 0.00 H new ATOM 218 N PRO A 367 0.540 -8.944 -4.808 1.00 0.00 N ATOM 219 CA PRO A 367 -0.452 -7.935 -5.171 1.00 0.00 C ATOM 220 C PRO A 367 -0.513 -6.783 -4.173 1.00 0.00 C ATOM 221 O PRO A 367 -1.591 -6.269 -3.872 1.00 0.00 O ATOM 222 CB PRO A 367 -1.751 -8.723 -5.154 1.00 0.00 C ATOM 223 CG PRO A 367 -1.550 -9.755 -4.103 1.00 0.00 C ATOM 224 CD PRO A 367 -0.076 -10.077 -4.090 1.00 0.00 C ATOM 0 HA PRO A 367 -0.226 -7.460 -6.126 1.00 0.00 H new ATOM 0 HB2 PRO A 367 -2.601 -8.081 -4.922 1.00 0.00 H new ATOM 0 HB3 PRO A 367 -1.951 -9.179 -6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 367 -1.874 -9.385 -3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 367 -2.139 -10.646 -4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 367 0.306 -10.161 -3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 367 0.130 -11.025 -4.587 1.00 0.00 H new ATOM 232 N ALA A 368 0.650 -6.381 -3.666 1.00 0.00 N ATOM 233 CA ALA A 368 0.730 -5.290 -2.700 1.00 0.00 C ATOM 234 C ALA A 368 2.181 -4.977 -2.344 1.00 0.00 C ATOM 235 O ALA A 368 2.987 -5.882 -2.132 1.00 0.00 O ATOM 236 CB ALA A 368 -0.054 -5.636 -1.442 1.00 0.00 C ATOM 0 H ALA A 368 1.550 -6.795 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 368 0.292 -4.403 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 368 0.016 -4.812 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 368 -1.099 -5.805 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 368 0.360 -6.539 -0.992 1.00 0.00 H new ATOM 242 N GLU A 369 2.505 -3.688 -2.277 1.00 0.00 N ATOM 243 CA GLU A 369 3.856 -3.257 -1.943 1.00 0.00 C ATOM 244 C GLU A 369 4.241 -3.731 -0.548 1.00 0.00 C ATOM 245 O GLU A 369 3.480 -3.574 0.407 1.00 0.00 O ATOM 246 CB GLU A 369 3.964 -1.732 -2.026 1.00 0.00 C ATOM 247 CG GLU A 369 5.340 -1.191 -1.668 1.00 0.00 C ATOM 248 CD GLU A 369 6.426 -1.659 -2.620 1.00 0.00 C ATOM 249 OE1 GLU A 369 6.672 -2.881 -2.688 1.00 0.00 O ATOM 250 OE2 GLU A 369 7.031 -0.800 -3.296 1.00 0.00 O ATOM 0 H GLU A 369 1.850 -2.926 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 369 4.544 -3.700 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 369 3.711 -1.414 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 369 3.225 -1.288 -1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 369 5.308 -0.101 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 369 5.594 -1.501 -0.654 1.00 0.00 H new ATOM 257 N SER A 370 5.429 -4.314 -0.441 1.00 0.00 N ATOM 258 CA SER A 370 5.922 -4.818 0.837 1.00 0.00 C ATOM 259 C SER A 370 5.998 -3.701 1.869 1.00 0.00 C ATOM 260 O SER A 370 5.596 -3.874 3.020 1.00 0.00 O ATOM 261 CB SER A 370 7.299 -5.459 0.659 1.00 0.00 C ATOM 262 OG SER A 370 7.251 -6.522 -0.275 1.00 0.00 O ATOM 0 H SER A 370 6.069 -4.450 -1.223 1.00 0.00 H new ATOM 0 HA SER A 370 5.222 -5.572 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 370 8.012 -4.707 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 370 7.657 -5.831 1.619 1.00 0.00 H new ATOM 0 HG SER A 370 8.144 -6.913 -0.372 1.00 0.00 H new ATOM 268 N GLN A 371 6.515 -2.559 1.445 1.00 0.00 N ATOM 269 CA GLN A 371 6.648 -1.402 2.326 1.00 0.00 C ATOM 270 C GLN A 371 5.282 -0.787 2.625 1.00 0.00 C ATOM 271 O GLN A 371 4.273 -1.489 2.677 1.00 0.00 O ATOM 272 CB GLN A 371 7.569 -0.358 1.688 1.00 0.00 C ATOM 273 CG GLN A 371 8.977 -0.866 1.423 1.00 0.00 C ATOM 274 CD GLN A 371 9.698 -1.277 2.692 1.00 0.00 C ATOM 275 OE1 GLN A 371 9.899 -0.465 3.595 1.00 0.00 O ATOM 276 NE2 GLN A 371 10.092 -2.543 2.767 1.00 0.00 N ATOM 0 H GLN A 371 6.851 -2.405 0.494 1.00 0.00 H new ATOM 0 HA GLN A 371 7.086 -1.735 3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 371 7.130 -0.025 0.748 1.00 0.00 H new ATOM 0 HB3 GLN A 371 7.623 0.513 2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 371 8.930 -1.718 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 371 9.551 -0.088 0.919 1.00 0.00 H new ATOM 0 HE21 GLN A 371 9.904 -3.182 1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 371 10.582 -2.876 3.597 1.00 0.00 H new ATOM 285 N GLN A 372 5.256 0.530 2.816 1.00 0.00 N ATOM 286 CA GLN A 372 4.014 1.238 3.104 1.00 0.00 C ATOM 287 C GLN A 372 3.144 1.378 1.855 1.00 0.00 C ATOM 288 O GLN A 372 3.638 1.647 0.762 1.00 0.00 O ATOM 289 CB GLN A 372 4.300 2.616 3.717 1.00 0.00 C ATOM 290 CG GLN A 372 5.609 3.257 3.265 1.00 0.00 C ATOM 291 CD GLN A 372 5.716 3.425 1.760 1.00 0.00 C ATOM 292 OE1 GLN A 372 5.916 2.458 1.027 1.00 0.00 O ATOM 293 NE2 GLN A 372 5.580 4.662 1.294 1.00 0.00 N ATOM 0 H GLN A 372 6.082 1.127 2.776 1.00 0.00 H new ATOM 0 HA GLN A 372 3.460 0.643 3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 372 3.478 3.287 3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 372 4.315 2.519 4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 372 5.708 4.233 3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 372 6.442 2.647 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 372 5.415 5.435 1.939 1.00 0.00 H new ATOM 0 HE22 GLN A 372 5.640 4.839 0.291 1.00 0.00 H new ATOM 302 N GLN A 373 1.838 1.187 2.027 1.00 0.00 N ATOM 303 CA GLN A 373 0.898 1.290 0.918 1.00 0.00 C ATOM 304 C GLN A 373 0.868 2.712 0.363 1.00 0.00 C ATOM 305 O GLN A 373 0.931 3.683 1.116 1.00 0.00 O ATOM 306 CB GLN A 373 -0.504 0.873 1.366 1.00 0.00 C ATOM 307 CG GLN A 373 -1.512 0.833 0.231 1.00 0.00 C ATOM 308 CD GLN A 373 -1.122 -0.147 -0.858 1.00 0.00 C ATOM 309 OE1 GLN A 373 -0.886 0.367 -2.059 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 -1.028 -1.351 -0.620 1.00 0.00 N flip ATOM 0 H GLN A 373 1.409 0.960 2.924 1.00 0.00 H new ATOM 0 HA GLN A 373 1.231 0.617 0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -0.451 -0.112 1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -0.855 1.567 2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -2.490 0.560 0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -1.609 1.830 -0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -1.219 -1.702 0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -0.759 -1.998 -1.361 1.00 0.00 H new ATOM 319 N ALA A 374 0.775 2.826 -0.959 1.00 0.00 N ATOM 320 CA ALA A 374 0.740 4.128 -1.615 1.00 0.00 C ATOM 321 C ALA A 374 -0.645 4.756 -1.518 1.00 0.00 C ATOM 322 O ALA A 374 -1.656 4.083 -1.716 1.00 0.00 O ATOM 323 CB ALA A 374 1.161 3.997 -3.070 1.00 0.00 C ATOM 0 H ALA A 374 0.723 2.032 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 374 1.443 4.784 -1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.130 4.976 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.175 3.600 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.480 3.320 -3.586 1.00 0.00 H new ATOM 329 N ALA A 375 -0.681 6.052 -1.220 1.00 0.00 N ATOM 330 CA ALA A 375 -1.939 6.778 -1.104 1.00 0.00 C ATOM 331 C ALA A 375 -2.605 6.931 -2.468 1.00 0.00 C ATOM 332 O ALA A 375 -2.541 7.992 -3.088 1.00 0.00 O ATOM 333 CB ALA A 375 -1.709 8.142 -0.467 1.00 0.00 C ATOM 0 H ALA A 375 0.149 6.621 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.607 6.203 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -2.659 8.671 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.282 8.012 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.022 8.721 -1.084 1.00 0.00 H new ATOM 339 N GLU A 376 -3.231 5.853 -2.930 1.00 0.00 N ATOM 340 CA GLU A 376 -3.904 5.840 -4.222 1.00 0.00 C ATOM 341 C GLU A 376 -5.069 6.830 -4.255 1.00 0.00 C ATOM 342 O GLU A 376 -5.059 7.836 -3.545 1.00 0.00 O ATOM 343 CB GLU A 376 -4.388 4.421 -4.520 1.00 0.00 C ATOM 344 CG GLU A 376 -3.270 3.391 -4.497 1.00 0.00 C ATOM 345 CD GLU A 376 -2.213 3.647 -5.558 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.526 4.685 -5.476 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.077 2.807 -6.473 1.00 0.00 O ATOM 0 H GLU A 376 -3.285 4.970 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.197 6.152 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.146 4.141 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.868 4.405 -5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.800 3.394 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.694 2.398 -4.645 1.00 0.00 H new ATOM 354 N THR A 377 -6.067 6.553 -5.092 1.00 0.00 N ATOM 355 CA THR A 377 -7.217 7.437 -5.218 1.00 0.00 C ATOM 356 C THR A 377 -8.506 6.659 -5.442 1.00 0.00 C ATOM 357 O THR A 377 -8.482 5.453 -5.685 1.00 0.00 O ATOM 358 CB THR A 377 -7.022 8.437 -6.373 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.906 7.734 -7.616 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.776 9.279 -6.144 1.00 0.00 C ATOM 0 H THR A 377 -6.100 5.727 -5.689 1.00 0.00 H new ATOM 0 HA THR A 377 -7.298 7.981 -4.277 1.00 0.00 H new ATOM 0 HB THR A 377 -7.890 9.095 -6.410 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.784 8.377 -8.345 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.654 9.980 -6.970 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.877 9.832 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.903 8.629 -6.088 1.00 0.00 H new ATOM 368 N GLU A 378 -9.630 7.365 -5.341 1.00 0.00 N ATOM 369 CA GLU A 378 -10.947 6.764 -5.517 1.00 0.00 C ATOM 370 C GLU A 378 -10.982 5.871 -6.745 1.00 0.00 C ATOM 371 O GLU A 378 -11.475 4.745 -6.700 1.00 0.00 O ATOM 372 CB GLU A 378 -12.001 7.861 -5.660 1.00 0.00 C ATOM 373 CG GLU A 378 -13.429 7.339 -5.690 1.00 0.00 C ATOM 374 CD GLU A 378 -14.450 8.448 -5.849 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.503 9.335 -4.971 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.195 8.431 -6.850 1.00 0.00 O ATOM 0 H GLU A 378 -9.652 8.364 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.161 6.155 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.897 8.562 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.809 8.420 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.536 6.631 -6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.632 6.792 -4.769 1.00 0.00 H new ATOM 383 N GLY A 379 -10.460 6.394 -7.842 1.00 0.00 N ATOM 384 CA GLY A 379 -10.439 5.650 -9.083 1.00 0.00 C ATOM 385 C GLY A 379 -9.696 4.335 -8.981 1.00 0.00 C ATOM 386 O GLY A 379 -10.117 3.337 -9.562 1.00 0.00 O ATOM 0 H GLY A 379 -10.048 7.326 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.464 5.457 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.976 6.262 -9.857 1.00 0.00 H new ATOM 390 N SER A 380 -8.587 4.330 -8.252 1.00 0.00 N ATOM 391 CA SER A 380 -7.792 3.115 -8.099 1.00 0.00 C ATOM 392 C SER A 380 -8.467 2.111 -7.168 1.00 0.00 C ATOM 393 O SER A 380 -8.548 0.920 -7.472 1.00 0.00 O ATOM 394 CB SER A 380 -6.404 3.457 -7.575 1.00 0.00 C ATOM 395 OG SER A 380 -5.617 2.289 -7.413 1.00 0.00 O ATOM 0 H SER A 380 -8.219 5.145 -7.761 1.00 0.00 H new ATOM 0 HA SER A 380 -7.705 2.653 -9.082 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.909 4.140 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.490 3.976 -6.621 1.00 0.00 H new ATOM 0 HG SER A 380 -4.730 2.536 -7.077 1.00 0.00 H new ATOM 401 N CYS A 381 -8.938 2.600 -6.027 1.00 0.00 N ATOM 402 CA CYS A 381 -9.590 1.752 -5.034 1.00 0.00 C ATOM 403 C CYS A 381 -10.806 1.025 -5.601 1.00 0.00 C ATOM 404 O CYS A 381 -10.975 -0.174 -5.379 1.00 0.00 O ATOM 405 CB CYS A 381 -9.996 2.589 -3.824 1.00 0.00 C ATOM 406 SG CYS A 381 -8.585 3.255 -2.889 1.00 0.00 S ATOM 0 H CYS A 381 -8.880 3.584 -5.765 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.871 0.990 -4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.622 3.416 -4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.606 1.978 -3.158 1.00 0.00 H new ATOM 411 N ASN A 382 -11.653 1.750 -6.324 1.00 0.00 N ATOM 412 CA ASN A 382 -12.852 1.160 -6.911 1.00 0.00 C ATOM 413 C ASN A 382 -12.500 -0.066 -7.745 1.00 0.00 C ATOM 414 O ASN A 382 -13.283 -1.011 -7.842 1.00 0.00 O ATOM 415 CB ASN A 382 -13.584 2.182 -7.783 1.00 0.00 C ATOM 416 CG ASN A 382 -14.022 3.413 -7.009 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.673 3.471 -5.728 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.666 4.305 -7.561 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.533 2.744 -6.518 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.507 0.854 -6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.932 2.487 -8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.459 1.710 -8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.913 4.220 -8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.953 5.129 -7.032 1.00 0.00 H new ATOM 425 N LYS A 383 -11.322 -0.032 -8.354 1.00 0.00 N ATOM 426 CA LYS A 383 -10.861 -1.127 -9.194 1.00 0.00 C ATOM 427 C LYS A 383 -10.382 -2.313 -8.359 1.00 0.00 C ATOM 428 O LYS A 383 -10.566 -3.466 -8.748 1.00 0.00 O ATOM 429 CB LYS A 383 -9.734 -0.641 -10.108 1.00 0.00 C ATOM 430 CG LYS A 383 -10.066 0.647 -10.846 1.00 0.00 C ATOM 431 CD LYS A 383 -11.325 0.510 -11.688 1.00 0.00 C ATOM 432 CE LYS A 383 -11.637 1.794 -12.441 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.878 1.675 -13.254 1.00 0.00 N ATOM 0 H LYS A 383 -10.667 0.746 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.703 -1.464 -9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.834 -0.488 -9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.506 -1.419 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.197 1.455 -10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.229 0.924 -11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.202 -0.308 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.167 0.250 -11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.746 2.614 -11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.800 2.045 -13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.055 2.571 -13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.765 0.910 -13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.682 1.461 -12.630 1.00 0.00 H new ATOM 447 N LYS A 384 -9.743 -2.024 -7.226 1.00 0.00 N ATOM 448 CA LYS A 384 -9.213 -3.055 -6.356 1.00 0.00 C ATOM 449 C LYS A 384 -10.260 -4.081 -5.951 1.00 0.00 C ATOM 450 O LYS A 384 -11.432 -3.992 -6.318 1.00 0.00 O ATOM 451 CB LYS A 384 -8.623 -2.416 -5.106 1.00 0.00 C ATOM 452 CG LYS A 384 -7.675 -1.275 -5.411 1.00 0.00 C ATOM 453 CD LYS A 384 -6.499 -1.723 -6.264 1.00 0.00 C ATOM 454 CE LYS A 384 -6.790 -1.589 -7.751 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.576 -1.827 -8.580 1.00 0.00 N ATOM 0 H LYS A 384 -9.583 -1.073 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.443 -3.582 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.433 -2.048 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.093 -3.177 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.216 -0.482 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.305 -0.852 -4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.621 -1.129 -6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.259 -2.761 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.567 -2.299 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.179 -0.592 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.818 -1.726 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.843 -1.134 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.219 -2.788 -8.404 1.00 0.00 H new ATOM 469 N ASP A 385 -9.806 -5.044 -5.166 1.00 0.00 N ATOM 470 CA ASP A 385 -10.651 -6.115 -4.650 1.00 0.00 C ATOM 471 C ASP A 385 -10.407 -6.273 -3.156 1.00 0.00 C ATOM 472 O ASP A 385 -9.616 -5.535 -2.582 1.00 0.00 O ATOM 473 CB ASP A 385 -10.349 -7.434 -5.368 1.00 0.00 C ATOM 474 CG ASP A 385 -10.693 -7.398 -6.847 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.231 -6.371 -7.310 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.431 -8.402 -7.540 1.00 0.00 O ATOM 0 H ASP A 385 -8.833 -5.107 -4.865 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.695 -5.858 -4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.291 -7.670 -5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.909 -8.238 -4.890 1.00 0.00 H new ATOM 481 N GLN A 386 -11.076 -7.233 -2.527 1.00 0.00 N ATOM 482 CA GLN A 386 -10.903 -7.456 -1.094 1.00 0.00 C ATOM 483 C GLN A 386 -9.422 -7.567 -0.748 1.00 0.00 C ATOM 484 O GLN A 386 -8.921 -6.856 0.123 1.00 0.00 O ATOM 485 CB GLN A 386 -11.650 -8.724 -0.660 1.00 0.00 C ATOM 486 CG GLN A 386 -11.685 -8.942 0.847 1.00 0.00 C ATOM 487 CD GLN A 386 -10.327 -9.286 1.430 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.717 -10.290 1.062 1.00 0.00 O ATOM 489 NE2 GLN A 386 -9.847 -8.452 2.345 1.00 0.00 N ATOM 0 H GLN A 386 -11.737 -7.864 -2.980 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.320 -6.605 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.673 -8.675 -1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.180 -9.588 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -12.063 -8.041 1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.386 -9.745 1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.387 -7.631 2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -8.939 -8.632 2.773 1.00 0.00 H new ATOM 498 N ASN A 387 -8.727 -8.455 -1.444 1.00 0.00 N ATOM 499 CA ASN A 387 -7.303 -8.660 -1.222 1.00 0.00 C ATOM 500 C ASN A 387 -6.499 -7.441 -1.674 1.00 0.00 C ATOM 501 O ASN A 387 -5.443 -7.141 -1.115 1.00 0.00 O ATOM 502 CB ASN A 387 -6.830 -9.908 -1.975 1.00 0.00 C ATOM 503 CG ASN A 387 -5.394 -10.286 -1.666 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.814 -9.657 -0.651 1.00 0.00 O flip ATOM 505 ND2 ASN A 387 -4.817 -11.152 -2.321 1.00 0.00 N flip ATOM 0 H ASN A 387 -9.129 -9.048 -2.171 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.140 -8.801 -0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.481 -10.745 -1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.931 -9.737 -3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.298 -11.612 -3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -3.857 -11.410 -2.091 1.00 0.00 H new ATOM 512 N GLU A 388 -6.997 -6.749 -2.697 1.00 0.00 N ATOM 513 CA GLU A 388 -6.313 -5.575 -3.231 1.00 0.00 C ATOM 514 C GLU A 388 -6.785 -4.286 -2.568 1.00 0.00 C ATOM 515 O GLU A 388 -6.322 -3.201 -2.920 1.00 0.00 O ATOM 516 CB GLU A 388 -6.518 -5.489 -4.745 1.00 0.00 C ATOM 517 CG GLU A 388 -5.995 -6.700 -5.498 1.00 0.00 C ATOM 518 CD GLU A 388 -6.204 -6.591 -6.996 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.370 -6.466 -7.426 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.200 -6.630 -7.739 1.00 0.00 O ATOM 0 H GLU A 388 -7.870 -6.981 -3.171 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.251 -5.689 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.582 -5.373 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.020 -4.595 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.932 -6.820 -5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.495 -7.596 -5.130 1.00 0.00 H new ATOM 527 N CYS A 389 -7.700 -4.396 -1.608 1.00 0.00 N ATOM 528 CA CYS A 389 -8.201 -3.215 -0.920 1.00 0.00 C ATOM 529 C CYS A 389 -7.061 -2.570 -0.141 1.00 0.00 C ATOM 530 O CYS A 389 -6.683 -3.034 0.935 1.00 0.00 O ATOM 531 CB CYS A 389 -9.363 -3.581 0.006 1.00 0.00 C ATOM 532 SG CYS A 389 -10.427 -2.168 0.443 1.00 0.00 S ATOM 0 H CYS A 389 -8.103 -5.279 -1.294 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.580 -2.502 -1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.971 -4.347 -0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.963 -4.019 0.920 1.00 0.00 H new ATOM 537 N LYS A 390 -6.491 -1.523 -0.724 1.00 0.00 N ATOM 538 CA LYS A 390 -5.356 -0.824 -0.133 1.00 0.00 C ATOM 539 C LYS A 390 -5.742 -0.025 1.111 1.00 0.00 C ATOM 540 O LYS A 390 -6.910 0.303 1.321 1.00 0.00 O ATOM 541 CB LYS A 390 -4.711 0.070 -1.183 1.00 0.00 C ATOM 542 CG LYS A 390 -4.297 -0.701 -2.429 1.00 0.00 C ATOM 543 CD LYS A 390 -3.643 0.200 -3.462 1.00 0.00 C ATOM 544 CE LYS A 390 -3.212 -0.587 -4.689 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.568 0.283 -5.711 1.00 0.00 N ATOM 0 H LYS A 390 -6.800 -1.136 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.636 -1.572 0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.409 0.859 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.836 0.557 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.605 -1.496 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.173 -1.180 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.340 0.984 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.777 0.693 -3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.517 -1.372 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -4.080 -1.080 -5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.834 -0.256 -6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.284 0.608 -6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.135 1.105 -5.244 1.00 0.00 H new ATOM 559 N SER A 391 -4.740 0.257 1.944 1.00 0.00 N ATOM 560 CA SER A 391 -4.940 0.990 3.194 1.00 0.00 C ATOM 561 C SER A 391 -5.671 2.320 2.986 1.00 0.00 C ATOM 562 O SER A 391 -6.668 2.583 3.658 1.00 0.00 O ATOM 563 CB SER A 391 -3.595 1.235 3.886 1.00 0.00 C ATOM 564 OG SER A 391 -3.769 1.939 5.103 1.00 0.00 O ATOM 0 H SER A 391 -3.772 -0.015 1.773 1.00 0.00 H new ATOM 0 HA SER A 391 -5.573 0.369 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.104 0.282 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.940 1.802 3.225 1.00 0.00 H new ATOM 0 HG SER A 391 -2.897 2.082 5.526 1.00 0.00 H new ATOM 570 N PRO A 392 -5.204 3.182 2.057 1.00 0.00 N ATOM 571 CA PRO A 392 -5.849 4.468 1.798 1.00 0.00 C ATOM 572 C PRO A 392 -7.320 4.291 1.456 1.00 0.00 C ATOM 573 O PRO A 392 -8.150 5.154 1.746 1.00 0.00 O ATOM 574 CB PRO A 392 -5.076 5.029 0.597 1.00 0.00 C ATOM 575 CG PRO A 392 -4.339 3.877 0.026 1.00 0.00 C ATOM 576 CD PRO A 392 -4.036 2.991 1.186 1.00 0.00 C ATOM 0 HA PRO A 392 -5.826 5.127 2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.754 5.464 -0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.391 5.819 0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.939 3.357 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.425 4.202 -0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.925 1.950 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.110 3.279 1.683 1.00 0.00 H new ATOM 584 N CYS A 393 -7.629 3.159 0.835 1.00 0.00 N ATOM 585 CA CYS A 393 -8.992 2.839 0.440 1.00 0.00 C ATOM 586 C CYS A 393 -9.890 2.647 1.660 1.00 0.00 C ATOM 587 O CYS A 393 -9.593 3.131 2.752 1.00 0.00 O ATOM 588 CB CYS A 393 -8.988 1.568 -0.408 1.00 0.00 C ATOM 589 SG CYS A 393 -7.897 1.649 -1.864 1.00 0.00 S ATOM 0 H CYS A 393 -6.945 2.442 0.593 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.389 3.671 -0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.681 0.729 0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.005 1.363 -0.741 1.00 0.00 H new ATOM 594 N LYS A 394 -10.985 1.927 1.459 1.00 0.00 N ATOM 595 CA LYS A 394 -11.937 1.647 2.526 1.00 0.00 C ATOM 596 C LYS A 394 -12.850 0.502 2.121 1.00 0.00 C ATOM 597 O LYS A 394 -13.577 0.589 1.128 1.00 0.00 O ATOM 598 CB LYS A 394 -12.766 2.892 2.854 1.00 0.00 C ATOM 599 CG LYS A 394 -13.829 2.653 3.916 1.00 0.00 C ATOM 600 CD LYS A 394 -14.636 3.909 4.197 1.00 0.00 C ATOM 601 CE LYS A 394 -13.770 5.002 4.796 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.202 4.603 6.113 1.00 0.00 N ATOM 0 H LYS A 394 -11.238 1.522 0.557 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.381 1.361 3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.098 3.684 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.248 3.248 1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.498 1.857 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.354 2.312 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.088 4.267 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.452 3.674 4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.959 5.240 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -14.362 5.909 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.731 5.421 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.967 4.271 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -12.511 3.838 5.976 1.00 0.00 H new ATOM 616 N TRP A 395 -12.794 -0.578 2.891 1.00 0.00 N ATOM 617 CA TRP A 395 -13.601 -1.755 2.614 1.00 0.00 C ATOM 618 C TRP A 395 -15.047 -1.544 3.047 1.00 0.00 C ATOM 619 O TRP A 395 -15.313 -0.974 4.106 1.00 0.00 O ATOM 620 CB TRP A 395 -13.014 -2.976 3.322 1.00 0.00 C ATOM 621 CG TRP A 395 -13.609 -4.271 2.860 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.202 -5.225 3.635 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.655 -4.759 1.514 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.622 -6.274 2.853 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.296 -6.012 1.547 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.220 -4.257 0.283 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.511 -6.768 0.398 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.435 -5.009 -0.856 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.075 -6.252 -0.791 1.00 0.00 C ATOM 0 H TRP A 395 -12.196 -0.661 3.713 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.590 -1.926 1.538 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.937 -3.000 3.158 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.170 -2.875 4.396 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.323 -5.164 4.706 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.098 -7.111 3.189 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.725 -3.299 0.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.004 -7.728 0.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.104 -4.631 -1.812 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.228 -6.816 -1.699 1.00 0.00 H new ATOM 640 N HIS A 396 -15.977 -2.017 2.225 1.00 0.00 N ATOM 641 CA HIS A 396 -17.399 -1.888 2.524 1.00 0.00 C ATOM 642 C HIS A 396 -18.089 -3.244 2.482 1.00 0.00 C ATOM 643 O HIS A 396 -18.443 -3.738 1.408 1.00 0.00 O ATOM 644 CB HIS A 396 -18.070 -0.933 1.535 1.00 0.00 C ATOM 645 CG HIS A 396 -17.717 0.504 1.759 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.994 1.172 2.935 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.107 1.403 0.952 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.570 2.420 2.840 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.028 2.585 1.647 1.00 0.00 N ATOM 0 H HIS A 396 -15.772 -2.493 1.347 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.494 -1.481 3.531 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.786 -1.215 0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.151 -1.049 1.607 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.749 1.224 -0.051 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.653 3.176 3.607 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.617 3.451 1.298 1.00 0.00 H new ATOM 658 N ASN A 397 -18.288 -3.835 3.658 1.00 0.00 N ATOM 659 CA ASN A 397 -18.949 -5.130 3.764 1.00 0.00 C ATOM 660 C ASN A 397 -20.459 -4.940 3.874 1.00 0.00 C ATOM 661 O ASN A 397 -21.005 -4.849 4.973 1.00 0.00 O ATOM 662 CB ASN A 397 -18.425 -5.896 4.981 1.00 0.00 C ATOM 663 CG ASN A 397 -19.026 -7.284 5.100 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.239 -7.439 5.238 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.175 -8.302 5.046 1.00 0.00 N ATOM 0 H ASN A 397 -18.000 -3.436 4.551 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.730 -5.709 2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.340 -5.978 4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.647 -5.329 5.885 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.520 -9.259 5.120 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.177 -8.127 4.931 1.00 0.00 H new ATOM 672 N ASP A 398 -21.120 -4.877 2.721 1.00 0.00 N ATOM 673 CA ASP A 398 -22.567 -4.690 2.656 1.00 0.00 C ATOM 674 C ASP A 398 -23.004 -4.517 1.209 1.00 0.00 C ATOM 675 O ASP A 398 -24.079 -4.964 0.810 1.00 0.00 O ATOM 676 CB ASP A 398 -22.995 -3.468 3.473 1.00 0.00 C ATOM 677 CG ASP A 398 -24.491 -3.231 3.422 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.250 -4.131 3.840 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.906 -2.145 2.965 1.00 0.00 O ATOM 0 H ASP A 398 -20.670 -4.954 1.809 1.00 0.00 H new ATOM 0 HA ASP A 398 -23.045 -5.574 3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.687 -3.602 4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.477 -2.585 3.098 1.00 0.00 H new ATOM 684 N ALA A 399 -22.148 -3.858 0.432 1.00 0.00 N ATOM 685 CA ALA A 399 -22.412 -3.606 -0.979 1.00 0.00 C ATOM 686 C ALA A 399 -22.826 -4.883 -1.704 1.00 0.00 C ATOM 687 O ALA A 399 -22.473 -5.985 -1.283 1.00 0.00 O ATOM 688 CB ALA A 399 -21.181 -2.997 -1.636 1.00 0.00 C ATOM 0 H ALA A 399 -21.257 -3.486 0.762 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.241 -2.902 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.386 -2.811 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.933 -2.057 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.342 -3.686 -1.545 1.00 0.00 H new ATOM 694 N GLU A 400 -23.579 -4.720 -2.789 1.00 0.00 N ATOM 695 CA GLU A 400 -24.054 -5.852 -3.584 1.00 0.00 C ATOM 696 C GLU A 400 -22.940 -6.868 -3.811 1.00 0.00 C ATOM 697 O GLU A 400 -23.187 -8.074 -3.862 1.00 0.00 O ATOM 698 CB GLU A 400 -24.595 -5.359 -4.927 1.00 0.00 C ATOM 699 CG GLU A 400 -25.140 -6.468 -5.813 1.00 0.00 C ATOM 700 CD GLU A 400 -25.660 -5.949 -7.139 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.587 -5.113 -7.127 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.140 -6.378 -8.190 1.00 0.00 O ATOM 0 H GLU A 400 -23.875 -3.809 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.855 -6.343 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.385 -4.631 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.799 -4.839 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.355 -7.201 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.943 -6.986 -5.289 1.00 0.00 H new ATOM 709 N ASN A 401 -21.714 -6.373 -3.946 1.00 0.00 N ATOM 710 CA ASN A 401 -20.558 -7.235 -4.165 1.00 0.00 C ATOM 711 C ASN A 401 -19.331 -6.658 -3.472 1.00 0.00 C ATOM 712 O ASN A 401 -18.204 -6.821 -3.942 1.00 0.00 O ATOM 713 CB ASN A 401 -20.287 -7.372 -5.661 1.00 0.00 C ATOM 714 CG ASN A 401 -21.509 -7.828 -6.428 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.925 -8.983 -6.336 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.108 -6.906 -7.168 1.00 0.00 N ATOM 0 H ASN A 401 -21.495 -5.378 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.771 -8.219 -3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -19.950 -6.414 -6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -19.476 -8.084 -5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.951 -7.141 -7.692 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.726 -5.961 -7.213 1.00 0.00 H new ATOM 723 N LYS A 402 -19.567 -5.981 -2.351 1.00 0.00 N ATOM 724 CA LYS A 402 -18.494 -5.363 -1.572 1.00 0.00 C ATOM 725 C LYS A 402 -17.821 -4.250 -2.370 1.00 0.00 C ATOM 726 O LYS A 402 -17.631 -4.370 -3.581 1.00 0.00 O ATOM 727 CB LYS A 402 -17.456 -6.405 -1.143 1.00 0.00 C ATOM 728 CG LYS A 402 -17.976 -7.436 -0.148 1.00 0.00 C ATOM 729 CD LYS A 402 -18.961 -8.402 -0.791 1.00 0.00 C ATOM 730 CE LYS A 402 -19.456 -9.438 0.206 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.407 -10.398 -0.420 1.00 0.00 N ATOM 0 H LYS A 402 -20.499 -5.845 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.939 -4.932 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.092 -6.924 -2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.602 -5.890 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.137 -7.996 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.460 -6.925 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.809 -7.846 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.483 -8.904 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.606 -9.983 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.944 -8.935 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.722 -11.088 0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -21.230 -9.881 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.934 -10.897 -1.200 1.00 0.00 H new ATOM 745 N LYS A 403 -17.473 -3.158 -1.695 1.00 0.00 N ATOM 746 CA LYS A 403 -16.837 -2.030 -2.369 1.00 0.00 C ATOM 747 C LYS A 403 -15.645 -1.485 -1.585 1.00 0.00 C ATOM 748 O LYS A 403 -15.738 -1.224 -0.386 1.00 0.00 O ATOM 749 CB LYS A 403 -17.858 -0.916 -2.597 1.00 0.00 C ATOM 750 CG LYS A 403 -18.985 -1.308 -3.543 1.00 0.00 C ATOM 751 CD LYS A 403 -18.484 -1.513 -4.965 1.00 0.00 C ATOM 752 CE LYS A 403 -17.969 -0.217 -5.572 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.029 0.827 -5.634 1.00 0.00 N ATOM 0 H LYS A 403 -17.618 -3.030 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.462 -2.393 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.285 -0.624 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.346 -0.041 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.455 -2.225 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.752 -0.533 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.688 -2.257 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.291 -1.908 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -17.130 0.152 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -17.592 -0.411 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.719 1.600 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.905 0.410 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.204 1.201 -4.680 1.00 0.00 H new ATOM 767 N CYS A 404 -14.529 -1.299 -2.287 1.00 0.00 N ATOM 768 CA CYS A 404 -13.309 -0.763 -1.688 1.00 0.00 C ATOM 769 C CYS A 404 -13.082 0.667 -2.170 1.00 0.00 C ATOM 770 O CYS A 404 -12.269 0.907 -3.059 1.00 0.00 O ATOM 771 CB CYS A 404 -12.103 -1.634 -2.055 1.00 0.00 C ATOM 772 SG CYS A 404 -10.540 -1.099 -1.285 1.00 0.00 S ATOM 0 H CYS A 404 -14.445 -1.514 -3.281 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.422 -0.765 -0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.308 -2.663 -1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.982 -1.631 -3.138 1.00 0.00 H new ATOM 777 N THR A 405 -13.823 1.609 -1.594 1.00 0.00 N ATOM 778 CA THR A 405 -13.719 3.013 -1.983 1.00 0.00 C ATOM 779 C THR A 405 -12.595 3.733 -1.246 1.00 0.00 C ATOM 780 O THR A 405 -12.349 3.481 -0.068 1.00 0.00 O ATOM 781 CB THR A 405 -15.039 3.764 -1.729 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.381 3.696 -0.339 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.167 3.172 -2.563 1.00 0.00 C ATOM 0 H THR A 405 -14.503 1.426 -0.856 1.00 0.00 H new ATOM 0 HA THR A 405 -13.496 3.015 -3.050 1.00 0.00 H new ATOM 0 HB THR A 405 -14.901 4.806 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.753 4.556 -0.051 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.090 3.718 -2.367 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.917 3.250 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.303 2.123 -2.299 1.00 0.00 H new ATOM 791 N LEU A 406 -11.923 4.641 -1.951 1.00 0.00 N ATOM 792 CA LEU A 406 -10.834 5.415 -1.375 1.00 0.00 C ATOM 793 C LEU A 406 -11.359 6.331 -0.281 1.00 0.00 C ATOM 794 O LEU A 406 -12.447 6.896 -0.395 1.00 0.00 O ATOM 795 CB LEU A 406 -10.126 6.225 -2.462 1.00 0.00 C ATOM 796 CG LEU A 406 -8.837 6.945 -2.046 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.140 8.164 -1.190 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.891 5.998 -1.317 1.00 0.00 C ATOM 0 H LEU A 406 -12.118 4.857 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.112 4.729 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.891 5.555 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.825 6.969 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.342 7.286 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.207 8.653 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.760 8.860 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.671 7.854 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.986 6.535 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.380 5.613 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.630 5.168 -1.973 1.00 0.00 H new ATOM 810 N ASP A 407 -10.576 6.474 0.774 1.00 0.00 N ATOM 811 CA ASP A 407 -10.950 7.323 1.897 1.00 0.00 C ATOM 812 C ASP A 407 -10.009 8.517 2.010 1.00 0.00 C ATOM 813 O ASP A 407 -8.790 8.355 2.060 1.00 0.00 O ATOM 814 CB ASP A 407 -10.931 6.515 3.195 1.00 0.00 C ATOM 815 CG ASP A 407 -11.363 7.326 4.403 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.756 8.499 4.225 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.315 6.786 5.527 1.00 0.00 O ATOM 0 H ASP A 407 -9.673 6.012 0.879 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.959 7.696 1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.588 5.652 3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.925 6.131 3.363 1.00 0.00 H new ATOM 822 N LYS A 408 -10.581 9.716 2.042 1.00 0.00 N ATOM 823 CA LYS A 408 -9.804 10.936 2.143 1.00 0.00 C ATOM 824 C LYS A 408 -8.965 10.947 3.417 1.00 0.00 C ATOM 825 O LYS A 408 -7.799 11.339 3.402 1.00 0.00 O ATOM 826 CB LYS A 408 -10.743 12.139 2.128 1.00 0.00 C ATOM 827 CG LYS A 408 -10.110 13.383 1.545 1.00 0.00 C ATOM 828 CD LYS A 408 -11.083 14.552 1.512 1.00 0.00 C ATOM 829 CE LYS A 408 -11.543 14.942 2.909 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.499 16.083 2.880 1.00 0.00 N ATOM 0 H LYS A 408 -11.589 9.864 1.999 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.126 10.988 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.634 11.889 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -11.070 12.349 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.235 13.656 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -9.760 13.173 0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.607 15.408 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.949 14.288 0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.015 14.085 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.677 15.209 3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.788 16.318 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.040 16.909 2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.337 15.820 2.323 1.00 0.00 H new ATOM 844 N GLU A 409 -9.574 10.522 4.522 1.00 0.00 N ATOM 845 CA GLU A 409 -8.893 10.488 5.813 1.00 0.00 C ATOM 846 C GLU A 409 -7.700 9.536 5.793 1.00 0.00 C ATOM 847 O GLU A 409 -6.619 9.874 6.270 1.00 0.00 O ATOM 848 CB GLU A 409 -9.868 10.067 6.914 1.00 0.00 C ATOM 849 CG GLU A 409 -11.063 10.995 7.061 1.00 0.00 C ATOM 850 CD GLU A 409 -12.025 10.546 8.145 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.760 9.504 8.781 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.045 11.236 8.356 1.00 0.00 O ATOM 0 H GLU A 409 -10.540 10.196 4.548 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.523 11.493 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.226 9.059 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.334 10.024 7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.710 12.001 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.594 11.050 6.110 1.00 0.00 H new ATOM 859 N GLU A 410 -7.905 8.341 5.254 1.00 0.00 N ATOM 860 CA GLU A 410 -6.844 7.339 5.191 1.00 0.00 C ATOM 861 C GLU A 410 -5.726 7.767 4.243 1.00 0.00 C ATOM 862 O GLU A 410 -4.546 7.628 4.563 1.00 0.00 O ATOM 863 CB GLU A 410 -7.414 5.991 4.749 1.00 0.00 C ATOM 864 CG GLU A 410 -8.462 5.434 5.698 1.00 0.00 C ATOM 865 CD GLU A 410 -7.908 5.156 7.082 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.971 4.337 7.193 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.411 5.756 8.055 1.00 0.00 O ATOM 0 H GLU A 410 -8.794 8.040 4.854 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.421 7.242 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -7.854 6.099 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.599 5.273 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.288 6.141 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -8.870 4.513 5.282 1.00 0.00 H new ATOM 874 N ALA A 411 -6.105 8.272 3.076 1.00 0.00 N ATOM 875 CA ALA A 411 -5.135 8.704 2.072 1.00 0.00 C ATOM 876 C ALA A 411 -4.230 9.816 2.590 1.00 0.00 C ATOM 877 O ALA A 411 -3.012 9.756 2.429 1.00 0.00 O ATOM 878 CB ALA A 411 -5.855 9.157 0.813 1.00 0.00 C ATOM 0 H ALA A 411 -7.079 8.394 2.799 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.500 7.849 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.124 9.477 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.441 8.330 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.517 9.989 1.052 1.00 0.00 H new ATOM 884 N LYS A 412 -4.825 10.834 3.201 1.00 0.00 N ATOM 885 CA LYS A 412 -4.057 11.956 3.726 1.00 0.00 C ATOM 886 C LYS A 412 -3.087 11.496 4.811 1.00 0.00 C ATOM 887 O LYS A 412 -1.948 11.957 4.872 1.00 0.00 O ATOM 888 CB LYS A 412 -4.991 13.042 4.268 1.00 0.00 C ATOM 889 CG LYS A 412 -5.863 12.581 5.425 1.00 0.00 C ATOM 890 CD LYS A 412 -6.778 13.691 5.919 1.00 0.00 C ATOM 891 CE LYS A 412 -5.991 14.861 6.489 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.885 15.950 6.970 1.00 0.00 N ATOM 0 H LYS A 412 -5.832 10.905 3.345 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.474 12.377 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.393 13.893 4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.632 13.393 3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.464 11.728 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.230 12.240 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.403 14.040 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.448 13.297 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.368 14.512 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.320 15.253 5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.310 16.728 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.462 16.301 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.509 15.583 7.717 1.00 0.00 H new ATOM 906 N LYS A 413 -3.543 10.583 5.663 1.00 0.00 N ATOM 907 CA LYS A 413 -2.711 10.063 6.744 1.00 0.00 C ATOM 908 C LYS A 413 -1.527 9.265 6.201 1.00 0.00 C ATOM 909 O LYS A 413 -0.391 9.457 6.635 1.00 0.00 O ATOM 910 CB LYS A 413 -3.543 9.189 7.685 1.00 0.00 C ATOM 911 CG LYS A 413 -4.605 9.961 8.453 1.00 0.00 C ATOM 912 CD LYS A 413 -5.416 9.049 9.364 1.00 0.00 C ATOM 913 CE LYS A 413 -4.543 8.392 10.423 1.00 0.00 C ATOM 914 NZ LYS A 413 -3.862 9.398 11.283 1.00 0.00 N ATOM 0 H LYS A 413 -4.483 10.188 5.626 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.320 10.915 7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.026 8.402 7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -2.877 8.698 8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.129 10.740 9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.272 10.460 7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -6.204 9.626 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -5.905 8.280 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.156 7.738 11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -3.796 7.763 9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -3.445 8.923 12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -3.112 9.869 10.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.553 10.106 11.603 1.00 0.00 H new ATOM 928 N VAL A 414 -1.796 8.368 5.256 1.00 0.00 N ATOM 929 CA VAL A 414 -0.747 7.543 4.664 1.00 0.00 C ATOM 930 C VAL A 414 0.271 8.397 3.916 1.00 0.00 C ATOM 931 O VAL A 414 1.479 8.211 4.062 1.00 0.00 O ATOM 932 CB VAL A 414 -1.331 6.493 3.699 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.220 5.655 3.083 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.336 5.607 4.418 1.00 0.00 C ATOM 0 H VAL A 414 -2.730 8.194 4.884 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.250 7.030 5.487 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.850 7.016 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.652 4.919 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.460 6.303 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.329 5.142 3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.738 4.872 3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.843 5.093 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.149 6.220 4.807 1.00 0.00 H new ATOM 944 N ALA A 415 -0.224 9.334 3.116 1.00 0.00 N ATOM 945 CA ALA A 415 0.640 10.217 2.347 1.00 0.00 C ATOM 946 C ALA A 415 1.527 11.046 3.268 1.00 0.00 C ATOM 947 O ALA A 415 2.708 11.255 2.987 1.00 0.00 O ATOM 948 CB ALA A 415 -0.194 11.125 1.455 1.00 0.00 C ATOM 0 H ALA A 415 -1.222 9.501 2.984 1.00 0.00 H new ATOM 0 HA ALA A 415 1.284 9.603 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.465 11.780 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.784 10.518 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.861 11.728 2.071 1.00 0.00 H new ATOM 954 N ASP A 416 0.951 11.512 4.372 1.00 0.00 N ATOM 955 CA ASP A 416 1.689 12.316 5.338 1.00 0.00 C ATOM 956 C ASP A 416 2.680 11.468 6.116 1.00 0.00 C ATOM 957 O ASP A 416 3.846 11.339 5.739 1.00 0.00 O ATOM 958 CB ASP A 416 0.723 13.019 6.297 1.00 0.00 C ATOM 959 CG ASP A 416 -0.154 14.037 5.594 1.00 0.00 C ATOM 960 OD1 ASP A 416 -0.014 14.194 4.361 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.982 14.677 6.274 1.00 0.00 O ATOM 0 H ASP A 416 -0.025 11.346 4.619 1.00 0.00 H new ATOM 0 HA ASP A 416 2.250 13.071 4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.092 12.275 6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 416 1.293 13.516 7.082 1.00 0.00 H new ATOM 966 N GLU A 417 2.198 10.900 7.200 1.00 0.00 N ATOM 967 CA GLU A 417 3.009 10.057 8.068 1.00 0.00 C ATOM 968 C GLU A 417 4.265 10.791 8.522 1.00 0.00 C ATOM 969 O GLU A 417 5.354 10.220 8.560 1.00 0.00 O ATOM 970 CB GLU A 417 3.387 8.762 7.351 1.00 0.00 C ATOM 971 CG GLU A 417 2.201 7.856 7.066 1.00 0.00 C ATOM 972 CD GLU A 417 2.610 6.556 6.400 1.00 0.00 C ATOM 973 OE1 GLU A 417 3.198 6.610 5.301 1.00 0.00 O ATOM 974 OE2 GLU A 417 2.340 5.483 6.980 1.00 0.00 O ATOM 0 H GLU A 417 1.232 11.006 7.510 1.00 0.00 H new ATOM 0 HA GLU A 417 2.417 9.812 8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 417 3.880 9.008 6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 417 4.111 8.219 7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.684 7.635 8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.492 8.381 6.426 1.00 0.00 H new ATOM 981 N THR A 418 4.098 12.064 8.871 1.00 0.00 N ATOM 982 CA THR A 418 5.210 12.887 9.328 1.00 0.00 C ATOM 983 C THR A 418 4.709 14.229 9.855 1.00 0.00 C ATOM 984 O THR A 418 5.388 15.250 9.740 1.00 0.00 O ATOM 985 CB THR A 418 6.229 13.129 8.201 1.00 0.00 C ATOM 986 OG1 THR A 418 7.313 13.937 8.677 1.00 0.00 O ATOM 987 CG2 THR A 418 5.560 13.809 7.023 1.00 0.00 C ATOM 0 H THR A 418 3.200 12.547 8.845 1.00 0.00 H new ATOM 0 HA THR A 418 5.704 12.344 10.134 1.00 0.00 H new ATOM 0 HB THR A 418 6.621 12.165 7.877 1.00 0.00 H new ATOM 0 HG1 THR A 418 6.960 14.772 9.049 1.00 0.00 H new ATOM 0 HG21 THR A 418 6.293 13.974 6.234 1.00 0.00 H new ATOM 0 HG22 THR A 418 4.757 13.176 6.646 1.00 0.00 H new ATOM 0 HG23 THR A 418 5.148 14.767 7.341 1.00 0.00 H new ATOM 995 N ALA A 419 3.515 14.211 10.441 1.00 0.00 N ATOM 996 CA ALA A 419 2.912 15.420 10.994 1.00 0.00 C ATOM 997 C ALA A 419 1.605 15.102 11.712 1.00 0.00 C ATOM 998 O ALA A 419 1.398 15.521 12.852 1.00 0.00 O ATOM 999 CB ALA A 419 2.671 16.443 9.895 1.00 0.00 C ATOM 0 H ALA A 419 2.945 13.371 10.545 1.00 0.00 H new ATOM 0 HA ALA A 419 3.607 15.840 11.721 1.00 0.00 H new ATOM 0 HB1 ALA A 419 2.221 17.338 10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 419 3.620 16.703 9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 419 1.999 16.022 9.147 1.00 0.00 H new ATOM 1005 N LYS A 420 0.731 14.355 11.031 1.00 0.00 N ATOM 1006 CA LYS A 420 -0.569 13.963 11.580 1.00 0.00 C ATOM 1007 C LYS A 420 -1.545 15.140 11.624 1.00 0.00 C ATOM 1008 O LYS A 420 -2.739 14.972 11.377 1.00 0.00 O ATOM 1009 CB LYS A 420 -0.413 13.355 12.978 1.00 0.00 C ATOM 1010 CG LYS A 420 0.416 12.079 12.996 1.00 0.00 C ATOM 1011 CD LYS A 420 0.535 11.505 14.400 1.00 0.00 C ATOM 1012 CE LYS A 420 1.310 12.431 15.323 1.00 0.00 C ATOM 1013 NZ LYS A 420 2.700 12.663 14.842 1.00 0.00 N ATOM 0 H LYS A 420 0.904 14.007 10.088 1.00 0.00 H new ATOM 0 HA LYS A 420 -0.983 13.208 10.912 1.00 0.00 H new ATOM 0 HB2 LYS A 420 0.052 14.090 13.635 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -1.401 13.142 13.385 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -0.040 11.339 12.338 1.00 0.00 H new ATOM 0 HG3 LYS A 420 1.411 12.286 12.602 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -0.461 11.334 14.809 1.00 0.00 H new ATOM 0 HD3 LYS A 420 1.032 10.536 14.356 1.00 0.00 H new ATOM 0 HE2 LYS A 420 0.789 13.385 15.400 1.00 0.00 H new ATOM 0 HE3 LYS A 420 1.340 12.002 16.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 3.263 13.095 15.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 3.128 11.756 14.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 2.681 13.300 14.020 1.00 0.00 H new ATOM 1027 N ASP A 421 -1.036 16.327 11.939 1.00 0.00 N ATOM 1028 CA ASP A 421 -1.868 17.524 12.015 1.00 0.00 C ATOM 1029 C ASP A 421 -2.525 17.823 10.670 1.00 0.00 C ATOM 1030 O ASP A 421 -1.903 17.683 9.618 1.00 0.00 O ATOM 1031 CB ASP A 421 -1.034 18.726 12.463 1.00 0.00 C ATOM 1032 CG ASP A 421 -0.413 18.522 13.832 1.00 0.00 C ATOM 1033 OD1 ASP A 421 -1.173 18.325 14.804 1.00 0.00 O ATOM 1034 OD2 ASP A 421 0.830 18.561 13.931 1.00 0.00 O ATOM 0 H ASP A 421 -0.050 16.486 12.146 1.00 0.00 H new ATOM 0 HA ASP A 421 -2.652 17.339 12.749 1.00 0.00 H new ATOM 0 HB2 ASP A 421 -0.245 18.910 11.733 1.00 0.00 H new ATOM 0 HB3 ASP A 421 -1.664 19.615 12.482 1.00 0.00 H new ATOM 1039 N GLY A 422 -3.790 18.233 10.719 1.00 0.00 N ATOM 1040 CA GLY A 422 -4.524 18.549 9.506 1.00 0.00 C ATOM 1041 C GLY A 422 -3.971 19.764 8.784 1.00 0.00 C ATOM 1042 O GLY A 422 -2.809 19.779 8.377 1.00 0.00 O ATOM 0 H GLY A 422 -4.321 18.352 11.581 1.00 0.00 H new ATOM 0 HA2 GLY A 422 -4.496 17.690 8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 422 -5.570 18.725 9.755 1.00 0.00 H new ATOM 1046 N LYS A 423 -4.814 20.782 8.619 1.00 0.00 N ATOM 1047 CA LYS A 423 -4.420 22.011 7.936 1.00 0.00 C ATOM 1048 C LYS A 423 -3.107 22.554 8.495 1.00 0.00 C ATOM 1049 O LYS A 423 -2.869 22.509 9.702 1.00 0.00 O ATOM 1050 CB LYS A 423 -5.519 23.068 8.070 1.00 0.00 C ATOM 1051 CG LYS A 423 -5.230 24.354 7.310 1.00 0.00 C ATOM 1052 CD LYS A 423 -5.153 24.110 5.811 1.00 0.00 C ATOM 1053 CE LYS A 423 -4.886 25.398 5.049 1.00 0.00 C ATOM 1054 NZ LYS A 423 -4.824 25.173 3.578 1.00 0.00 N ATOM 0 H LYS A 423 -5.778 20.779 8.951 1.00 0.00 H new ATOM 0 HA LYS A 423 -4.274 21.777 6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -6.459 22.649 7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.657 23.304 9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.010 25.086 7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -4.290 24.781 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.363 23.390 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -6.088 23.668 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -5.671 26.121 5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.946 25.832 5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -4.640 26.076 3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -4.059 24.503 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -5.730 24.783 3.248 1.00 0.00 H new ATOM 1068 N THR A 424 -2.257 23.059 7.603 1.00 0.00 N ATOM 1069 CA THR A 424 -0.962 23.606 7.994 1.00 0.00 C ATOM 1070 C THR A 424 -1.100 25.001 8.602 1.00 0.00 C ATOM 1071 O THR A 424 -0.383 25.927 8.218 1.00 0.00 O ATOM 1072 CB THR A 424 0.001 23.678 6.794 1.00 0.00 C ATOM 1073 OG1 THR A 424 -0.541 24.534 5.781 1.00 0.00 O ATOM 1074 CG2 THR A 424 0.249 22.293 6.214 1.00 0.00 C ATOM 0 H THR A 424 -2.444 23.100 6.601 1.00 0.00 H new ATOM 0 HA THR A 424 -0.554 22.929 8.745 1.00 0.00 H new ATOM 0 HB THR A 424 0.950 24.084 7.143 1.00 0.00 H new ATOM 0 HG1 THR A 424 0.078 24.576 5.022 1.00 0.00 H new ATOM 0 HG21 THR A 424 0.932 22.370 5.368 1.00 0.00 H new ATOM 0 HG22 THR A 424 0.689 21.652 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 424 -0.696 21.864 5.880 1.00 0.00 H new ATOM 1082 N GLY A 425 -2.020 25.147 9.552 1.00 0.00 N ATOM 1083 CA GLY A 425 -2.227 26.433 10.194 1.00 0.00 C ATOM 1084 C GLY A 425 -0.961 26.966 10.836 1.00 0.00 C ATOM 1085 O GLY A 425 -0.642 28.148 10.708 1.00 0.00 O ATOM 0 H GLY A 425 -2.625 24.398 9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -2.588 27.151 9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -3.004 26.337 10.953 1.00 0.00 H new ATOM 1089 N ASN A 426 -0.237 26.090 11.526 1.00 0.00 N ATOM 1090 CA ASN A 426 1.005 26.471 12.188 1.00 0.00 C ATOM 1091 C ASN A 426 2.035 26.942 11.165 1.00 0.00 C ATOM 1092 O ASN A 426 2.244 26.294 10.139 1.00 0.00 O ATOM 1093 CB ASN A 426 1.563 25.286 12.982 1.00 0.00 C ATOM 1094 CG ASN A 426 2.788 25.641 13.811 1.00 0.00 C ATOM 1095 OD1 ASN A 426 3.113 26.928 13.892 1.00 0.00 O flip ATOM 1096 ND2 ASN A 426 3.427 24.763 14.391 1.00 0.00 N flip ATOM 0 H ASN A 426 -0.491 25.109 11.641 1.00 0.00 H new ATOM 0 HA ASN A 426 0.793 27.292 12.873 1.00 0.00 H new ATOM 0 HB2 ASN A 426 0.785 24.901 13.642 1.00 0.00 H new ATOM 0 HB3 ASN A 426 1.821 24.483 12.291 1.00 0.00 H new ATOM 0 HD21 ASN A 426 3.146 23.786 14.304 1.00 0.00 H new ATOM 0 HD22 ASN A 426 4.237 25.012 14.958 1.00 0.00 H new ATOM 1103 N THR A 427 2.678 28.072 11.449 1.00 0.00 N ATOM 1104 CA THR A 427 3.686 28.623 10.551 1.00 0.00 C ATOM 1105 C THR A 427 4.815 27.624 10.320 1.00 0.00 C ATOM 1106 O THR A 427 5.220 27.392 9.181 1.00 0.00 O ATOM 1107 CB THR A 427 4.277 29.932 11.104 1.00 0.00 C ATOM 1108 OG1 THR A 427 4.867 29.700 12.389 1.00 0.00 O ATOM 1109 CG2 THR A 427 3.204 31.004 11.222 1.00 0.00 C ATOM 0 H THR A 427 2.518 28.622 12.293 1.00 0.00 H new ATOM 0 HA THR A 427 3.188 28.833 9.604 1.00 0.00 H new ATOM 0 HB THR A 427 5.042 30.280 10.410 1.00 0.00 H new ATOM 0 HG1 THR A 427 4.951 30.550 12.869 1.00 0.00 H new ATOM 0 HG21 THR A 427 3.646 31.920 11.615 1.00 0.00 H new ATOM 0 HG22 THR A 427 2.776 31.200 10.239 1.00 0.00 H new ATOM 0 HG23 THR A 427 2.420 30.661 11.897 1.00 0.00 H new ATOM 1117 N ASN A 428 5.309 27.040 11.416 1.00 0.00 N ATOM 1118 CA ASN A 428 6.394 26.057 11.368 1.00 0.00 C ATOM 1119 C ASN A 428 7.735 26.729 11.095 1.00 0.00 C ATOM 1120 O ASN A 428 8.694 26.538 11.844 1.00 0.00 O ATOM 1121 CB ASN A 428 6.118 24.986 10.308 1.00 0.00 C ATOM 1122 CG ASN A 428 7.215 23.942 10.240 1.00 0.00 C ATOM 1123 OD1 ASN A 428 7.501 23.260 11.224 1.00 0.00 O ATOM 1124 ND2 ASN A 428 7.836 23.813 9.073 1.00 0.00 N ATOM 0 H ASN A 428 4.969 27.235 12.358 1.00 0.00 H new ATOM 0 HA ASN A 428 6.442 25.576 12.345 1.00 0.00 H new ATOM 0 HB2 ASN A 428 5.169 24.497 10.528 1.00 0.00 H new ATOM 0 HB3 ASN A 428 6.013 25.462 9.333 1.00 0.00 H new ATOM 0 HD21 ASN A 428 8.583 23.127 8.966 1.00 0.00 H new ATOM 0 HD22 ASN A 428 7.566 24.400 8.284 1.00 0.00 H new ATOM 1131 N THR A 429 7.800 27.520 10.029 1.00 0.00 N ATOM 1132 CA THR A 429 9.027 28.219 9.680 1.00 0.00 C ATOM 1133 C THR A 429 9.309 29.330 10.682 1.00 0.00 C ATOM 1134 O THR A 429 8.589 30.329 10.733 1.00 0.00 O ATOM 1135 CB THR A 429 8.950 28.818 8.262 1.00 0.00 C ATOM 1136 OG1 THR A 429 8.688 27.783 7.307 1.00 0.00 O ATOM 1137 CG2 THR A 429 10.247 29.527 7.901 1.00 0.00 C ATOM 0 H THR A 429 7.019 27.691 9.395 1.00 0.00 H new ATOM 0 HA THR A 429 9.837 27.490 9.705 1.00 0.00 H new ATOM 0 HB THR A 429 8.139 29.546 8.244 1.00 0.00 H new ATOM 0 HG1 THR A 429 8.639 28.172 6.409 1.00 0.00 H new ATOM 0 HG21 THR A 429 10.168 29.941 6.896 1.00 0.00 H new ATOM 0 HG22 THR A 429 10.431 30.332 8.612 1.00 0.00 H new ATOM 0 HG23 THR A 429 11.072 28.816 7.936 1.00 0.00 H new ATOM 1145 N THR A 430 10.358 29.149 11.476 1.00 0.00 N ATOM 1146 CA THR A 430 10.739 30.133 12.483 1.00 0.00 C ATOM 1147 C THR A 430 9.543 30.499 13.365 1.00 0.00 C ATOM 1148 O THR A 430 9.351 31.661 13.726 1.00 0.00 O ATOM 1149 CB THR A 430 11.305 31.409 11.826 1.00 0.00 C ATOM 1150 OG1 THR A 430 12.261 31.056 10.819 1.00 0.00 O ATOM 1151 CG2 THR A 430 11.975 32.304 12.860 1.00 0.00 C ATOM 0 H THR A 430 10.962 28.327 11.442 1.00 0.00 H new ATOM 0 HA THR A 430 11.515 29.683 13.103 1.00 0.00 H new ATOM 0 HB THR A 430 10.475 31.953 11.375 1.00 0.00 H new ATOM 0 HG1 THR A 430 12.615 31.870 10.405 1.00 0.00 H new ATOM 0 HG21 THR A 430 12.365 33.196 12.371 1.00 0.00 H new ATOM 0 HG22 THR A 430 11.246 32.595 13.617 1.00 0.00 H new ATOM 0 HG23 THR A 430 12.794 31.763 13.334 1.00 0.00 H new ATOM 1159 N GLY A 431 8.737 29.496 13.709 1.00 0.00 N ATOM 1160 CA GLY A 431 7.574 29.733 14.543 1.00 0.00 C ATOM 1161 C GLY A 431 6.870 28.448 14.929 1.00 0.00 C ATOM 1162 O GLY A 431 5.640 28.379 14.925 1.00 0.00 O ATOM 0 H GLY A 431 8.870 28.526 13.424 1.00 0.00 H new ATOM 0 HA2 GLY A 431 7.879 30.262 15.446 1.00 0.00 H new ATOM 0 HA3 GLY A 431 6.876 30.382 14.013 1.00 0.00 H new ATOM 1166 N SER A 432 7.653 27.428 15.267 1.00 0.00 N ATOM 1167 CA SER A 432 7.102 26.138 15.662 1.00 0.00 C ATOM 1168 C SER A 432 6.275 26.268 16.936 1.00 0.00 C ATOM 1169 O SER A 432 6.700 26.903 17.902 1.00 0.00 O ATOM 1170 CB SER A 432 8.225 25.122 15.870 1.00 0.00 C ATOM 1171 OG SER A 432 9.132 25.562 16.866 1.00 0.00 O ATOM 0 H SER A 432 8.672 27.471 15.275 1.00 0.00 H new ATOM 0 HA SER A 432 6.450 25.789 14.861 1.00 0.00 H new ATOM 0 HB2 SER A 432 7.801 24.160 16.159 1.00 0.00 H new ATOM 0 HB3 SER A 432 8.758 24.966 14.932 1.00 0.00 H new ATOM 0 HG SER A 432 9.840 24.894 16.982 1.00 0.00 H new ATOM 1177 N SER A 433 5.093 25.662 16.930 1.00 0.00 N ATOM 1178 CA SER A 433 4.203 25.706 18.085 1.00 0.00 C ATOM 1179 C SER A 433 4.851 25.047 19.298 1.00 0.00 C ATOM 1180 O SER A 433 5.016 25.736 20.327 1.00 0.00 O ATOM 1181 CB SER A 433 2.879 25.012 17.762 1.00 0.00 C ATOM 1182 OG SER A 433 2.216 25.654 16.687 1.00 0.00 O ATOM 1183 OXT SER A 433 5.186 23.847 19.210 1.00 0.00 O ATOM 0 H SER A 433 4.728 25.134 16.137 1.00 0.00 H new ATOM 0 HA SER A 433 4.010 26.752 18.322 1.00 0.00 H new ATOM 0 HB2 SER A 433 3.064 23.968 17.508 1.00 0.00 H new ATOM 0 HB3 SER A 433 2.238 25.016 18.644 1.00 0.00 H new ATOM 0 HG SER A 433 1.373 25.191 16.499 1.00 0.00 H new TER 1189 SER A 433