USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=30 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 364 LYS NZ :NH3+ -144:sc= -0.176 (180deg=-1.61!) USER MOD Set 1.2: A 370 SER OG : rot -9:sc= 1.05 USER MOD Single : A 355 SER OG : rot -12:sc= 0.791 USER MOD Single : A 356 HIS : no HE2:sc= -0.234 K(o=-0.23,f=-2.5) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 GLN :FLIP amide:sc= -1.91 F(o=-5.1!,f=-1.9) USER MOD Single : A 365 HIS : no HD1:sc= -0.0893 X(o=-0.089,f=0) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 373 GLN :FLIP amide:sc= -4.37! C(o=-6.2!,f=-4.4!) USER MOD Single : A 377 THR OG1 : rot -63:sc= 0.1 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.03 F(o=-3.6!,f=-1) USER MOD Single : A 383 LYS NZ :NH3+ 160:sc= -0.0809 (180deg=-0.458) USER MOD Single : A 384 LYS NZ :NH3+ -113:sc= -0.409 (180deg=-3.36!) USER MOD Single : A 386 GLN : amide:sc= -2.23! C(o=-2.2!,f=-2.2!) USER MOD Single : A 387 ASN : amide:sc= -0.0908 K(o=-0.091,f=-4.6!) USER MOD Single : A 390 LYS NZ :NH3+ -164:sc= -0.0358 (180deg=-0.295) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-4.5!) USER MOD Single : A 397 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.7!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.687 F(o=-4.1!,f=-0.69) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 LYS NZ :NH3+ 133:sc= -0.041 (180deg=-0.318) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 408 LYS NZ :NH3+ -165:sc= -0.0417 (180deg=-0.26) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ -166:sc= -0.055 (180deg=-0.285) USER MOD Single : A 418 THR OG1 : rot -55:sc= 0.833 USER MOD Single : A 420 LYS NZ :NH3+ 170:sc= -0.0134 (180deg=-0.145) USER MOD Single : A 423 LYS NZ :NH3+ 168:sc= -0.0143 (180deg=-0.198) USER MOD Single : A 424 THR OG1 : rot 7:sc= 0.689 USER MOD Single : A 426 ASN : amide:sc= -0.655 K(o=-0.66,f=-2.7!) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -0.557 K(o=-0.56,f=-2.4!) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 28.026 5.917 0.448 1.00 0.00 N ATOM 2 CA GLY A 354 26.809 5.090 0.671 1.00 0.00 C ATOM 3 C GLY A 354 27.004 3.645 0.256 1.00 0.00 C ATOM 4 O GLY A 354 27.539 3.368 -0.818 1.00 0.00 O ATOM 0 HA2 GLY A 354 26.536 5.128 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 354 25.977 5.516 0.111 1.00 0.00 H new ATOM 10 N SER A 355 26.566 2.723 1.110 1.00 0.00 N ATOM 11 CA SER A 355 26.691 1.294 0.836 1.00 0.00 C ATOM 12 C SER A 355 25.762 0.487 1.737 1.00 0.00 C ATOM 13 O SER A 355 25.102 -0.449 1.286 1.00 0.00 O ATOM 14 CB SER A 355 28.137 0.834 1.040 1.00 0.00 C ATOM 15 OG SER A 355 29.020 1.501 0.155 1.00 0.00 O ATOM 0 H SER A 355 26.120 2.941 2.001 1.00 0.00 H new ATOM 0 HA SER A 355 26.407 1.124 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 355 28.439 1.024 2.070 1.00 0.00 H new ATOM 0 HB3 SER A 355 28.204 -0.242 0.881 1.00 0.00 H new ATOM 0 HG SER A 355 28.502 1.976 -0.528 1.00 0.00 H new ATOM 21 N HIS A 356 25.719 0.858 3.013 1.00 0.00 N ATOM 22 CA HIS A 356 24.873 0.173 3.984 1.00 0.00 C ATOM 23 C HIS A 356 23.407 0.218 3.564 1.00 0.00 C ATOM 24 O HIS A 356 22.918 1.241 3.086 1.00 0.00 O ATOM 25 CB HIS A 356 25.049 0.795 5.372 1.00 0.00 C ATOM 26 CG HIS A 356 24.912 2.286 5.388 1.00 0.00 C ATOM 27 ND1 HIS A 356 23.758 2.943 5.018 1.00 0.00 N ATOM 28 CD2 HIS A 356 25.797 3.252 5.734 1.00 0.00 C ATOM 29 CE1 HIS A 356 23.939 4.248 5.133 1.00 0.00 C ATOM 30 NE2 HIS A 356 25.168 4.461 5.565 1.00 0.00 N ATOM 0 H HIS A 356 26.261 1.631 3.399 1.00 0.00 H new ATOM 0 HA HIS A 356 25.180 -0.872 4.024 1.00 0.00 H new ATOM 0 HB2 HIS A 356 24.311 0.364 6.049 1.00 0.00 H new ATOM 0 HB3 HIS A 356 26.032 0.526 5.759 1.00 0.00 H new ATOM 0 HD1 HIS A 356 22.898 2.493 4.704 1.00 0.00 H new ATOM 0 HD2 HIS A 356 26.809 3.099 6.079 1.00 0.00 H new ATOM 0 HE1 HIS A 356 23.206 5.010 4.911 1.00 0.00 H new ATOM 39 N MET A 357 22.713 -0.903 3.746 1.00 0.00 N ATOM 40 CA MET A 357 21.301 -1.003 3.385 1.00 0.00 C ATOM 41 C MET A 357 20.561 -1.924 4.350 1.00 0.00 C ATOM 42 O MET A 357 19.492 -1.581 4.856 1.00 0.00 O ATOM 43 CB MET A 357 21.151 -1.526 1.953 1.00 0.00 C ATOM 44 CG MET A 357 21.730 -0.598 0.895 1.00 0.00 C ATOM 45 SD MET A 357 20.909 1.007 0.856 1.00 0.00 S ATOM 46 CE MET A 357 21.805 1.812 -0.470 1.00 0.00 C ATOM 0 H MET A 357 23.107 -1.757 4.142 1.00 0.00 H new ATOM 0 HA MET A 357 20.865 -0.006 3.448 1.00 0.00 H new ATOM 0 HB2 MET A 357 21.640 -2.497 1.878 1.00 0.00 H new ATOM 0 HB3 MET A 357 20.093 -1.685 1.743 1.00 0.00 H new ATOM 0 HG2 MET A 357 22.793 -0.453 1.086 1.00 0.00 H new ATOM 0 HG3 MET A 357 21.644 -1.070 -0.084 1.00 0.00 H new ATOM 0 HE1 MET A 357 21.412 2.818 -0.616 1.00 0.00 H new ATOM 0 HE2 MET A 357 22.863 1.869 -0.212 1.00 0.00 H new ATOM 0 HE3 MET A 357 21.686 1.239 -1.390 1.00 0.00 H new ATOM 56 N LEU A 358 21.143 -3.092 4.603 1.00 0.00 N ATOM 57 CA LEU A 358 20.555 -4.073 5.512 1.00 0.00 C ATOM 58 C LEU A 358 19.143 -4.463 5.070 1.00 0.00 C ATOM 59 O LEU A 358 18.895 -4.684 3.884 1.00 0.00 O ATOM 60 CB LEU A 358 20.538 -3.532 6.948 1.00 0.00 C ATOM 61 CG LEU A 358 21.910 -3.382 7.613 1.00 0.00 C ATOM 62 CD1 LEU A 358 22.735 -2.306 6.924 1.00 0.00 C ATOM 63 CD2 LEU A 358 21.750 -3.065 9.093 1.00 0.00 C ATOM 0 H LEU A 358 22.028 -3.385 4.188 1.00 0.00 H new ATOM 0 HA LEU A 358 21.174 -4.969 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 358 20.047 -2.559 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 358 19.927 -4.196 7.560 1.00 0.00 H new ATOM 0 HG LEU A 358 22.441 -4.329 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 358 23.704 -2.220 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 358 22.881 -2.574 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 358 22.212 -1.352 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 358 22.734 -2.961 9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 358 21.196 -2.133 9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 358 21.205 -3.873 9.581 1.00 0.00 H new ATOM 75 N GLU A 359 18.223 -4.555 6.031 1.00 0.00 N ATOM 76 CA GLU A 359 16.841 -4.927 5.742 1.00 0.00 C ATOM 77 C GLU A 359 16.212 -3.973 4.732 1.00 0.00 C ATOM 78 O GLU A 359 16.388 -2.758 4.815 1.00 0.00 O ATOM 79 CB GLU A 359 16.019 -4.936 7.033 1.00 0.00 C ATOM 80 CG GLU A 359 16.566 -5.876 8.094 1.00 0.00 C ATOM 81 CD GLU A 359 15.743 -5.860 9.368 1.00 0.00 C ATOM 82 OE1 GLU A 359 15.631 -4.780 9.987 1.00 0.00 O ATOM 83 OE2 GLU A 359 15.213 -6.925 9.746 1.00 0.00 O ATOM 0 H GLU A 359 18.412 -4.376 7.017 1.00 0.00 H new ATOM 0 HA GLU A 359 16.844 -5.927 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 359 15.983 -3.925 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 359 14.994 -5.222 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 359 16.593 -6.890 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 359 17.594 -5.597 8.326 1.00 0.00 H new ATOM 90 N VAL A 360 15.476 -4.536 3.778 1.00 0.00 N ATOM 91 CA VAL A 360 14.816 -3.742 2.749 1.00 0.00 C ATOM 92 C VAL A 360 13.752 -2.829 3.354 1.00 0.00 C ATOM 93 O VAL A 360 12.922 -3.270 4.150 1.00 0.00 O ATOM 94 CB VAL A 360 14.165 -4.643 1.679 1.00 0.00 C ATOM 95 CG1 VAL A 360 13.160 -5.594 2.315 1.00 0.00 C ATOM 96 CG2 VAL A 360 13.506 -3.802 0.597 1.00 0.00 C ATOM 0 H VAL A 360 15.322 -5.541 3.697 1.00 0.00 H new ATOM 0 HA VAL A 360 15.585 -3.130 2.277 1.00 0.00 H new ATOM 0 HB VAL A 360 14.948 -5.241 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 360 12.713 -6.220 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 360 13.667 -6.225 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 360 12.379 -5.019 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 360 13.053 -4.457 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 360 12.736 -3.173 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 360 14.256 -3.172 0.118 1.00 0.00 H new ATOM 106 N LEU A 361 13.784 -1.554 2.969 1.00 0.00 N ATOM 107 CA LEU A 361 12.823 -0.577 3.472 1.00 0.00 C ATOM 108 C LEU A 361 12.788 -0.595 5.004 1.00 0.00 C ATOM 109 O LEU A 361 13.833 -0.531 5.652 1.00 0.00 O ATOM 110 CB LEU A 361 11.432 -0.858 2.889 1.00 0.00 C ATOM 111 CG LEU A 361 11.372 -0.957 1.362 1.00 0.00 C ATOM 112 CD1 LEU A 361 9.955 -1.271 0.904 1.00 0.00 C ATOM 113 CD2 LEU A 361 11.863 0.332 0.722 1.00 0.00 C ATOM 0 H LEU A 361 14.465 -1.175 2.311 1.00 0.00 H new ATOM 0 HA LEU A 361 13.135 0.418 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 361 11.060 -1.791 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 361 10.754 -0.068 3.213 1.00 0.00 H new ATOM 0 HG LEU A 361 12.026 -1.769 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.931 -1.338 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.636 -2.221 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.282 -0.480 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 361 11.813 0.242 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 361 11.235 1.162 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 361 12.894 0.518 1.023 1.00 0.00 H new ATOM 125 N THR A 362 11.589 -0.691 5.581 1.00 0.00 N ATOM 126 CA THR A 362 11.429 -0.727 7.031 1.00 0.00 C ATOM 127 C THR A 362 10.227 -1.583 7.404 1.00 0.00 C ATOM 128 O THR A 362 9.191 -1.517 6.749 1.00 0.00 O ATOM 129 CB THR A 362 11.237 0.685 7.623 1.00 0.00 C ATOM 130 OG1 THR A 362 10.110 1.323 7.014 1.00 0.00 O ATOM 131 CG2 THR A 362 12.482 1.538 7.419 1.00 0.00 C ATOM 0 H THR A 362 10.713 -0.745 5.062 1.00 0.00 H new ATOM 0 HA THR A 362 12.342 -1.155 7.445 1.00 0.00 H new ATOM 0 HB THR A 362 11.062 0.582 8.694 1.00 0.00 H new ATOM 0 HG1 THR A 362 9.994 2.218 7.397 1.00 0.00 H new ATOM 0 HG21 THR A 362 12.319 2.528 7.846 1.00 0.00 H new ATOM 0 HG22 THR A 362 13.332 1.066 7.912 1.00 0.00 H new ATOM 0 HG23 THR A 362 12.688 1.632 6.353 1.00 0.00 H new ATOM 139 N GLN A 363 10.369 -2.398 8.445 1.00 0.00 N ATOM 140 CA GLN A 363 9.282 -3.272 8.875 1.00 0.00 C ATOM 141 C GLN A 363 8.046 -2.465 9.271 1.00 0.00 C ATOM 142 O GLN A 363 8.114 -1.576 10.121 1.00 0.00 O ATOM 143 CB GLN A 363 9.748 -4.169 10.031 1.00 0.00 C ATOM 144 CG GLN A 363 10.227 -3.411 11.262 1.00 0.00 C ATOM 145 CD GLN A 363 9.109 -3.065 12.233 1.00 0.00 C ATOM 146 OE1 GLN A 363 7.903 -3.560 11.967 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 9.332 -2.369 13.223 1.00 0.00 N flip ATOM 0 H GLN A 363 11.220 -2.472 9.003 1.00 0.00 H new ATOM 0 HA GLN A 363 9.002 -3.908 8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 363 8.927 -4.825 10.320 1.00 0.00 H new ATOM 0 HB3 GLN A 363 10.556 -4.808 9.676 1.00 0.00 H new ATOM 0 HG2 GLN A 363 10.975 -4.011 11.780 1.00 0.00 H new ATOM 0 HG3 GLN A 363 10.719 -2.492 10.944 1.00 0.00 H new ATOM 0 HE21 GLN A 363 10.271 -2.008 13.392 1.00 0.00 H new ATOM 0 HE22 GLN A 363 8.578 -2.153 13.875 1.00 0.00 H new ATOM 156 N LYS A 364 6.915 -2.784 8.643 1.00 0.00 N ATOM 157 CA LYS A 364 5.657 -2.104 8.924 1.00 0.00 C ATOM 158 C LYS A 364 4.486 -2.972 8.470 1.00 0.00 C ATOM 159 O LYS A 364 4.412 -3.371 7.307 1.00 0.00 O ATOM 160 CB LYS A 364 5.614 -0.725 8.241 1.00 0.00 C ATOM 161 CG LYS A 364 5.368 -0.755 6.735 1.00 0.00 C ATOM 162 CD LYS A 364 6.413 -1.576 5.997 1.00 0.00 C ATOM 163 CE LYS A 364 6.147 -1.599 4.501 1.00 0.00 C ATOM 164 NZ LYS A 364 4.808 -2.165 4.182 1.00 0.00 N ATOM 0 H LYS A 364 6.847 -3.513 7.933 1.00 0.00 H new ATOM 0 HA LYS A 364 5.578 -1.944 9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 364 4.831 -0.129 8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 364 6.558 -0.214 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 364 4.379 -1.169 6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 364 5.370 0.264 6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 364 7.403 -1.161 6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 364 6.416 -2.595 6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 364 6.216 -0.586 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 364 6.918 -2.189 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 4.865 -2.715 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 4.499 -2.784 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 4.123 -1.391 4.063 1.00 0.00 H new ATOM 178 N HIS A 365 3.581 -3.278 9.394 1.00 0.00 N ATOM 179 CA HIS A 365 2.428 -4.116 9.079 1.00 0.00 C ATOM 180 C HIS A 365 2.878 -5.373 8.339 1.00 0.00 C ATOM 181 O HIS A 365 2.266 -5.774 7.348 1.00 0.00 O ATOM 182 CB HIS A 365 1.415 -3.340 8.232 1.00 0.00 C ATOM 183 CG HIS A 365 0.823 -2.151 8.929 1.00 0.00 C ATOM 184 ND1 HIS A 365 -0.087 -1.304 8.330 1.00 0.00 N ATOM 185 CD2 HIS A 365 1.009 -1.670 10.183 1.00 0.00 C ATOM 186 CE1 HIS A 365 -0.433 -0.356 9.183 1.00 0.00 C ATOM 187 NE2 HIS A 365 0.217 -0.555 10.314 1.00 0.00 N ATOM 0 H HIS A 365 3.622 -2.960 10.362 1.00 0.00 H new ATOM 0 HA HIS A 365 1.947 -4.408 10.013 1.00 0.00 H new ATOM 0 HB2 HIS A 365 1.902 -3.006 7.316 1.00 0.00 H new ATOM 0 HB3 HIS A 365 0.610 -4.014 7.938 1.00 0.00 H new ATOM 0 HD2 HIS A 365 1.659 -2.086 10.939 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -1.130 0.446 8.988 1.00 0.00 H new ATOM 0 HE2 HIS A 365 0.143 0.025 11.150 1.00 0.00 H new ATOM 196 N LYS A 366 3.966 -5.973 8.825 1.00 0.00 N ATOM 197 CA LYS A 366 4.536 -7.176 8.221 1.00 0.00 C ATOM 198 C LYS A 366 5.211 -6.833 6.893 1.00 0.00 C ATOM 199 O LYS A 366 4.605 -6.197 6.029 1.00 0.00 O ATOM 200 CB LYS A 366 3.454 -8.242 8.005 1.00 0.00 C ATOM 201 CG LYS A 366 3.996 -9.587 7.547 1.00 0.00 C ATOM 202 CD LYS A 366 4.825 -10.254 8.635 1.00 0.00 C ATOM 203 CE LYS A 366 5.323 -11.622 8.196 1.00 0.00 C ATOM 204 NZ LYS A 366 6.099 -12.300 9.272 1.00 0.00 N ATOM 0 H LYS A 366 4.474 -5.640 9.644 1.00 0.00 H new ATOM 0 HA LYS A 366 5.284 -7.579 8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 366 2.904 -8.381 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 366 2.741 -7.878 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 366 3.168 -10.238 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 366 4.607 -9.450 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 366 5.675 -9.620 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 366 4.225 -10.357 9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 366 4.474 -12.244 7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 366 5.948 -11.514 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 6.421 -13.229 8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 6.923 -11.718 9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 5.495 -12.426 10.109 1.00 0.00 H new ATOM 218 N PRO A 367 6.480 -7.244 6.710 1.00 0.00 N ATOM 219 CA PRO A 367 7.229 -6.966 5.481 1.00 0.00 C ATOM 220 C PRO A 367 6.696 -7.735 4.279 1.00 0.00 C ATOM 221 O PRO A 367 6.399 -8.926 4.369 1.00 0.00 O ATOM 222 CB PRO A 367 8.647 -7.414 5.816 1.00 0.00 C ATOM 223 CG PRO A 367 8.486 -8.428 6.888 1.00 0.00 C ATOM 224 CD PRO A 367 7.285 -8.006 7.683 1.00 0.00 C ATOM 0 HA PRO A 367 7.155 -5.917 5.195 1.00 0.00 H new ATOM 0 HB2 PRO A 367 9.144 -7.838 4.943 1.00 0.00 H new ATOM 0 HB3 PRO A 367 9.256 -6.576 6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 367 8.344 -9.423 6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 367 9.374 -8.473 7.518 1.00 0.00 H new ATOM 0 HD2 PRO A 367 6.738 -8.865 8.071 1.00 0.00 H new ATOM 0 HD3 PRO A 367 7.566 -7.393 8.540 1.00 0.00 H new ATOM 232 N ALA A 368 6.583 -7.038 3.151 1.00 0.00 N ATOM 233 CA ALA A 368 6.091 -7.639 1.917 1.00 0.00 C ATOM 234 C ALA A 368 6.247 -6.673 0.746 1.00 0.00 C ATOM 235 O ALA A 368 5.403 -6.629 -0.149 1.00 0.00 O ATOM 236 CB ALA A 368 4.635 -8.049 2.073 1.00 0.00 C ATOM 0 H ALA A 368 6.827 -6.051 3.068 1.00 0.00 H new ATOM 0 HA ALA A 368 6.685 -8.529 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 368 4.281 -8.496 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 368 4.546 -8.774 2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 368 4.033 -7.171 2.305 1.00 0.00 H new ATOM 242 N GLU A 369 7.335 -5.904 0.767 1.00 0.00 N ATOM 243 CA GLU A 369 7.623 -4.928 -0.282 1.00 0.00 C ATOM 244 C GLU A 369 6.528 -3.867 -0.365 1.00 0.00 C ATOM 245 O GLU A 369 5.363 -4.177 -0.610 1.00 0.00 O ATOM 246 CB GLU A 369 7.777 -5.629 -1.635 1.00 0.00 C ATOM 247 CG GLU A 369 8.083 -4.679 -2.783 1.00 0.00 C ATOM 248 CD GLU A 369 8.199 -5.392 -4.117 1.00 0.00 C ATOM 249 OE1 GLU A 369 8.047 -6.631 -4.146 1.00 0.00 O ATOM 250 OE2 GLU A 369 8.444 -4.709 -5.135 1.00 0.00 O ATOM 0 H GLU A 369 8.037 -5.940 1.506 1.00 0.00 H new ATOM 0 HA GLU A 369 8.560 -4.432 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 369 8.576 -6.367 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 369 6.859 -6.173 -1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 369 7.298 -3.926 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 369 9.014 -4.152 -2.575 1.00 0.00 H new ATOM 257 N SER A 370 6.916 -2.610 -0.168 1.00 0.00 N ATOM 258 CA SER A 370 5.972 -1.498 -0.224 1.00 0.00 C ATOM 259 C SER A 370 6.706 -0.171 -0.390 1.00 0.00 C ATOM 260 O SER A 370 6.362 0.827 0.244 1.00 0.00 O ATOM 261 CB SER A 370 5.114 -1.460 1.045 1.00 0.00 C ATOM 262 OG SER A 370 4.332 -2.636 1.171 1.00 0.00 O ATOM 0 H SER A 370 7.878 -2.336 0.032 1.00 0.00 H new ATOM 0 HA SER A 370 5.325 -1.649 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 370 5.757 -1.352 1.919 1.00 0.00 H new ATOM 0 HB3 SER A 370 4.461 -0.587 1.020 1.00 0.00 H new ATOM 0 HG SER A 370 4.396 -3.161 0.346 1.00 0.00 H new ATOM 268 N GLN A 371 7.722 -0.168 -1.250 1.00 0.00 N ATOM 269 CA GLN A 371 8.508 1.033 -1.504 1.00 0.00 C ATOM 270 C GLN A 371 7.700 2.060 -2.291 1.00 0.00 C ATOM 271 O GLN A 371 7.691 3.245 -1.957 1.00 0.00 O ATOM 272 CB GLN A 371 9.784 0.679 -2.271 1.00 0.00 C ATOM 273 CG GLN A 371 10.672 1.878 -2.562 1.00 0.00 C ATOM 274 CD GLN A 371 11.937 1.515 -3.323 1.00 0.00 C ATOM 275 OE1 GLN A 371 12.094 0.236 -3.656 1.00 0.00 O flip ATOM 276 NE2 GLN A 371 12.767 2.377 -3.611 1.00 0.00 N flip ATOM 0 H GLN A 371 8.019 -0.986 -1.782 1.00 0.00 H new ATOM 0 HA GLN A 371 8.776 1.469 -0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 371 10.352 -0.052 -1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 371 9.511 0.202 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 371 10.106 2.610 -3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 371 10.946 2.356 -1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 371 12.610 3.347 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 371 13.611 2.121 -4.123 1.00 0.00 H new ATOM 285 N GLN A 372 7.028 1.596 -3.341 1.00 0.00 N ATOM 286 CA GLN A 372 6.222 2.473 -4.182 1.00 0.00 C ATOM 287 C GLN A 372 5.129 3.164 -3.372 1.00 0.00 C ATOM 288 O GLN A 372 4.446 2.532 -2.566 1.00 0.00 O ATOM 289 CB GLN A 372 5.593 1.678 -5.329 1.00 0.00 C ATOM 290 CG GLN A 372 4.673 0.560 -4.863 1.00 0.00 C ATOM 291 CD GLN A 372 4.027 -0.184 -6.015 1.00 0.00 C ATOM 292 OE1 GLN A 372 3.308 0.404 -6.822 1.00 0.00 O ATOM 293 NE2 GLN A 372 4.281 -1.486 -6.095 1.00 0.00 N ATOM 0 H GLN A 372 7.026 0.617 -3.629 1.00 0.00 H new ATOM 0 HA GLN A 372 6.880 3.239 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 372 5.029 2.360 -5.966 1.00 0.00 H new ATOM 0 HB3 GLN A 372 6.387 1.252 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 372 5.242 -0.143 -4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 372 3.895 0.978 -4.224 1.00 0.00 H new ATOM 0 HE21 GLN A 372 4.884 -1.932 -5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 372 3.873 -2.040 -6.848 1.00 0.00 H new ATOM 302 N GLN A 373 4.969 4.463 -3.599 1.00 0.00 N ATOM 303 CA GLN A 373 3.957 5.243 -2.898 1.00 0.00 C ATOM 304 C GLN A 373 2.560 4.737 -3.243 1.00 0.00 C ATOM 305 O GLN A 373 2.280 4.403 -4.394 1.00 0.00 O ATOM 306 CB GLN A 373 4.086 6.726 -3.258 1.00 0.00 C ATOM 307 CG GLN A 373 3.089 7.622 -2.538 1.00 0.00 C ATOM 308 CD GLN A 373 3.324 7.704 -1.037 1.00 0.00 C ATOM 309 OE1 GLN A 373 4.405 7.094 -0.558 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 2.543 8.322 -0.314 1.00 0.00 N flip ATOM 0 H GLN A 373 5.528 4.998 -4.264 1.00 0.00 H new ATOM 0 HA GLN A 373 4.113 5.128 -1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 373 5.096 7.061 -3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 373 3.954 6.842 -4.334 1.00 0.00 H new ATOM 0 HG2 GLN A 373 3.141 8.625 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 373 2.081 7.251 -2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 373 1.725 8.777 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 373 2.714 8.379 0.690 1.00 0.00 H new ATOM 319 N ALA A 374 1.689 4.679 -2.240 1.00 0.00 N ATOM 320 CA ALA A 374 0.324 4.208 -2.440 1.00 0.00 C ATOM 321 C ALA A 374 -0.393 5.039 -3.497 1.00 0.00 C ATOM 322 O ALA A 374 -0.364 6.270 -3.457 1.00 0.00 O ATOM 323 CB ALA A 374 -0.444 4.245 -1.128 1.00 0.00 C ATOM 0 H ALA A 374 1.905 4.952 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 374 0.369 3.178 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -1.462 3.891 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 374 0.051 3.603 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 374 -0.472 5.268 -0.752 1.00 0.00 H new ATOM 329 N ALA A 375 -1.040 4.360 -4.441 1.00 0.00 N ATOM 330 CA ALA A 375 -1.771 5.039 -5.504 1.00 0.00 C ATOM 331 C ALA A 375 -3.161 5.418 -5.038 1.00 0.00 C ATOM 332 O ALA A 375 -4.168 5.071 -5.657 1.00 0.00 O ATOM 333 CB ALA A 375 -1.831 4.177 -6.757 1.00 0.00 C ATOM 0 H ALA A 375 -1.072 3.342 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 375 -1.237 5.955 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -2.381 4.705 -7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -0.819 3.970 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -2.336 3.238 -6.529 1.00 0.00 H new ATOM 339 N GLU A 376 -3.192 6.134 -3.930 1.00 0.00 N ATOM 340 CA GLU A 376 -4.435 6.586 -3.328 1.00 0.00 C ATOM 341 C GLU A 376 -5.276 7.402 -4.299 1.00 0.00 C ATOM 342 O GLU A 376 -5.007 8.580 -4.539 1.00 0.00 O ATOM 343 CB GLU A 376 -4.126 7.419 -2.086 1.00 0.00 C ATOM 344 CG GLU A 376 -2.921 8.330 -2.265 1.00 0.00 C ATOM 345 CD GLU A 376 -2.813 9.383 -1.182 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.754 10.194 -1.046 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.789 9.398 -0.467 1.00 0.00 O ATOM 0 H GLU A 376 -2.356 6.420 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 376 -5.013 5.704 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.997 8.024 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.948 6.752 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.013 7.727 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.983 8.820 -3.237 1.00 0.00 H new ATOM 354 N THR A 377 -6.312 6.763 -4.825 1.00 0.00 N ATOM 355 CA THR A 377 -7.240 7.394 -5.750 1.00 0.00 C ATOM 356 C THR A 377 -8.549 6.627 -5.761 1.00 0.00 C ATOM 357 O THR A 377 -8.559 5.398 -5.685 1.00 0.00 O ATOM 358 CB THR A 377 -6.699 7.458 -7.193 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.271 6.160 -7.615 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.547 8.446 -7.321 1.00 0.00 C ATOM 0 H THR A 377 -6.532 5.788 -4.620 1.00 0.00 H new ATOM 0 HA THR A 377 -7.384 8.416 -5.401 1.00 0.00 H new ATOM 0 HB THR A 377 -7.510 7.804 -7.834 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.533 5.858 -7.046 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.194 8.462 -8.352 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.889 9.442 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.732 8.142 -6.663 1.00 0.00 H new ATOM 368 N GLU A 378 -9.651 7.352 -5.850 1.00 0.00 N ATOM 369 CA GLU A 378 -10.964 6.727 -5.864 1.00 0.00 C ATOM 370 C GLU A 378 -11.073 5.773 -7.043 1.00 0.00 C ATOM 371 O GLU A 378 -11.678 4.706 -6.943 1.00 0.00 O ATOM 372 CB GLU A 378 -12.062 7.788 -5.940 1.00 0.00 C ATOM 373 CG GLU A 378 -13.465 7.223 -5.800 1.00 0.00 C ATOM 374 CD GLU A 378 -14.532 8.301 -5.827 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.627 9.017 -6.844 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.272 8.428 -4.827 1.00 0.00 O ATOM 0 H GLU A 378 -9.664 8.370 -5.913 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.092 6.164 -4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.897 8.526 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.984 8.312 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.650 6.514 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.538 6.668 -4.865 1.00 0.00 H new ATOM 383 N GLY A 379 -10.480 6.173 -8.158 1.00 0.00 N ATOM 384 CA GLY A 379 -10.511 5.359 -9.354 1.00 0.00 C ATOM 385 C GLY A 379 -9.771 4.046 -9.211 1.00 0.00 C ATOM 386 O GLY A 379 -10.226 3.020 -9.717 1.00 0.00 O ATOM 0 H GLY A 379 -9.974 7.054 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.549 5.155 -9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.077 5.923 -10.179 1.00 0.00 H new ATOM 390 N SER A 380 -8.628 4.066 -8.532 1.00 0.00 N ATOM 391 CA SER A 380 -7.843 2.852 -8.353 1.00 0.00 C ATOM 392 C SER A 380 -8.513 1.900 -7.371 1.00 0.00 C ATOM 393 O SER A 380 -8.637 0.708 -7.634 1.00 0.00 O ATOM 394 CB SER A 380 -6.439 3.192 -7.870 1.00 0.00 C ATOM 395 OG SER A 380 -5.659 2.022 -7.694 1.00 0.00 O ATOM 0 H SER A 380 -8.229 4.900 -8.101 1.00 0.00 H new ATOM 0 HA SER A 380 -7.777 2.354 -9.321 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.954 3.851 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.498 3.738 -6.928 1.00 0.00 H new ATOM 0 HG SER A 380 -4.763 2.270 -7.385 1.00 0.00 H new ATOM 401 N CYS A 381 -8.933 2.441 -6.237 1.00 0.00 N ATOM 402 CA CYS A 381 -9.580 1.653 -5.193 1.00 0.00 C ATOM 403 C CYS A 381 -10.778 0.863 -5.716 1.00 0.00 C ATOM 404 O CYS A 381 -10.929 -0.320 -5.410 1.00 0.00 O ATOM 405 CB CYS A 381 -10.009 2.567 -4.050 1.00 0.00 C ATOM 406 SG CYS A 381 -8.615 3.283 -3.126 1.00 0.00 S ATOM 0 H CYS A 381 -8.837 3.432 -6.013 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.853 0.926 -4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.620 3.375 -4.452 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.639 2.003 -3.362 1.00 0.00 H new ATOM 411 N ASN A 382 -11.628 1.519 -6.498 1.00 0.00 N ATOM 412 CA ASN A 382 -12.814 0.871 -7.054 1.00 0.00 C ATOM 413 C ASN A 382 -12.445 -0.399 -7.811 1.00 0.00 C ATOM 414 O ASN A 382 -13.252 -1.320 -7.933 1.00 0.00 O ATOM 415 CB ASN A 382 -13.550 1.825 -7.996 1.00 0.00 C ATOM 416 CG ASN A 382 -14.006 3.099 -7.311 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.730 3.218 -6.018 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.606 3.970 -7.940 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.520 2.498 -6.762 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.465 0.605 -6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.895 2.081 -8.829 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.417 1.315 -8.417 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.799 3.840 -8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.910 4.822 -7.468 1.00 0.00 H new ATOM 425 N LYS A 383 -11.227 -0.427 -8.335 1.00 0.00 N ATOM 426 CA LYS A 383 -10.747 -1.563 -9.105 1.00 0.00 C ATOM 427 C LYS A 383 -10.165 -2.646 -8.203 1.00 0.00 C ATOM 428 O LYS A 383 -10.271 -3.836 -8.497 1.00 0.00 O ATOM 429 CB LYS A 383 -9.692 -1.088 -10.101 1.00 0.00 C ATOM 430 CG LYS A 383 -10.103 0.161 -10.867 1.00 0.00 C ATOM 431 CD LYS A 383 -11.381 -0.061 -11.661 1.00 0.00 C ATOM 432 CE LYS A 383 -11.687 1.124 -12.563 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.606 1.354 -13.561 1.00 0.00 N ATOM 0 H LYS A 383 -10.550 0.330 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.592 -1.998 -9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.763 -0.889 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.486 -1.889 -10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.247 0.985 -10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.300 0.453 -11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.284 -0.964 -12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.213 -0.223 -10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.630 0.952 -13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.817 2.019 -11.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.977 1.920 -14.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.820 1.863 -13.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.265 0.440 -13.921 1.00 0.00 H new ATOM 447 N LYS A 384 -9.535 -2.222 -7.114 1.00 0.00 N ATOM 448 CA LYS A 384 -8.914 -3.144 -6.176 1.00 0.00 C ATOM 449 C LYS A 384 -9.945 -4.001 -5.451 1.00 0.00 C ATOM 450 O LYS A 384 -10.874 -3.483 -4.831 1.00 0.00 O ATOM 451 CB LYS A 384 -8.082 -2.355 -5.166 1.00 0.00 C ATOM 452 CG LYS A 384 -6.712 -1.912 -5.676 1.00 0.00 C ATOM 453 CD LYS A 384 -6.750 -1.373 -7.099 1.00 0.00 C ATOM 454 CE LYS A 384 -6.447 -2.459 -8.122 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.486 -1.934 -9.515 1.00 0.00 N ATOM 0 H LYS A 384 -9.442 -1.239 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.272 -3.820 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.645 -1.472 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.943 -2.966 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.315 -1.143 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.024 -2.756 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.733 -0.948 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.026 -0.565 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.463 -2.883 -7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.170 -3.268 -8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.288 -2.358 -10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.597 -0.900 -9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.600 -2.177 -10.002 1.00 0.00 H new ATOM 469 N ASP A 385 -9.761 -5.318 -5.519 1.00 0.00 N ATOM 470 CA ASP A 385 -10.663 -6.251 -4.852 1.00 0.00 C ATOM 471 C ASP A 385 -10.370 -6.278 -3.358 1.00 0.00 C ATOM 472 O ASP A 385 -9.592 -5.466 -2.863 1.00 0.00 O ATOM 473 CB ASP A 385 -10.515 -7.654 -5.444 1.00 0.00 C ATOM 474 CG ASP A 385 -10.843 -7.697 -6.923 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.173 -6.987 -7.702 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.773 -8.442 -7.303 1.00 0.00 O ATOM 0 H ASP A 385 -8.997 -5.761 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.689 -5.917 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.494 -8.004 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.171 -8.341 -4.910 1.00 0.00 H new ATOM 481 N GLN A 386 -10.985 -7.215 -2.644 1.00 0.00 N ATOM 482 CA GLN A 386 -10.778 -7.334 -1.204 1.00 0.00 C ATOM 483 C GLN A 386 -9.287 -7.373 -0.875 1.00 0.00 C ATOM 484 O GLN A 386 -8.799 -6.590 -0.061 1.00 0.00 O ATOM 485 CB GLN A 386 -11.474 -8.595 -0.674 1.00 0.00 C ATOM 486 CG GLN A 386 -11.390 -8.766 0.838 1.00 0.00 C ATOM 487 CD GLN A 386 -10.006 -9.163 1.315 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.480 -10.207 0.929 1.00 0.00 O ATOM 489 NE2 GLN A 386 -9.408 -8.328 2.157 1.00 0.00 N ATOM 0 H GLN A 386 -11.629 -7.901 -3.037 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.213 -6.460 -0.718 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.523 -8.568 -0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.032 -9.469 -1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.680 -7.832 1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.108 -9.524 1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -9.882 -7.474 2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -8.475 -8.541 2.510 1.00 0.00 H new ATOM 498 N ASN A 387 -8.576 -8.289 -1.518 1.00 0.00 N ATOM 499 CA ASN A 387 -7.148 -8.447 -1.308 1.00 0.00 C ATOM 500 C ASN A 387 -6.367 -7.227 -1.791 1.00 0.00 C ATOM 501 O ASN A 387 -5.320 -6.892 -1.237 1.00 0.00 O ATOM 502 CB ASN A 387 -6.666 -9.697 -2.038 1.00 0.00 C ATOM 503 CG ASN A 387 -6.977 -9.660 -3.521 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.136 -9.557 -3.923 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.939 -9.745 -4.344 1.00 0.00 N ATOM 0 H ASN A 387 -8.973 -8.939 -2.196 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.970 -8.548 -0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.590 -9.803 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.133 -10.576 -1.594 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.085 -9.726 -5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.995 -9.829 -3.967 1.00 0.00 H new ATOM 512 N GLU A 388 -6.870 -6.575 -2.836 1.00 0.00 N ATOM 513 CA GLU A 388 -6.202 -5.405 -3.401 1.00 0.00 C ATOM 514 C GLU A 388 -6.629 -4.116 -2.710 1.00 0.00 C ATOM 515 O GLU A 388 -6.055 -3.057 -2.964 1.00 0.00 O ATOM 516 CB GLU A 388 -6.481 -5.314 -4.903 1.00 0.00 C ATOM 517 CG GLU A 388 -5.941 -6.494 -5.695 1.00 0.00 C ATOM 518 CD GLU A 388 -6.207 -6.371 -7.182 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.392 -6.285 -7.568 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.232 -6.364 -7.963 1.00 0.00 O ATOM 0 H GLU A 388 -7.736 -6.836 -3.308 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.131 -5.527 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.557 -5.243 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.041 -4.395 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.867 -6.578 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.394 -7.413 -5.324 1.00 0.00 H new ATOM 527 N CYS A 389 -7.632 -4.198 -1.841 1.00 0.00 N ATOM 528 CA CYS A 389 -8.110 -3.017 -1.135 1.00 0.00 C ATOM 529 C CYS A 389 -6.972 -2.404 -0.323 1.00 0.00 C ATOM 530 O CYS A 389 -6.650 -2.869 0.771 1.00 0.00 O ATOM 531 CB CYS A 389 -9.292 -3.377 -0.233 1.00 0.00 C ATOM 532 SG CYS A 389 -10.363 -1.960 0.174 1.00 0.00 S ATOM 0 H CYS A 389 -8.124 -5.061 -1.611 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.454 -2.281 -1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.891 -4.144 -0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.912 -3.811 0.692 1.00 0.00 H new ATOM 537 N LYS A 390 -6.351 -1.374 -0.889 1.00 0.00 N ATOM 538 CA LYS A 390 -5.223 -0.699 -0.255 1.00 0.00 C ATOM 539 C LYS A 390 -5.645 0.122 0.958 1.00 0.00 C ATOM 540 O LYS A 390 -6.820 0.446 1.132 1.00 0.00 O ATOM 541 CB LYS A 390 -4.510 0.188 -1.270 1.00 0.00 C ATOM 542 CG LYS A 390 -3.883 -0.588 -2.418 1.00 0.00 C ATOM 543 CD LYS A 390 -3.244 0.344 -3.436 1.00 0.00 C ATOM 544 CE LYS A 390 -2.565 -0.429 -4.554 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.473 -1.302 -4.042 1.00 0.00 N ATOM 0 H LYS A 390 -6.613 -0.985 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.540 -1.470 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.221 0.908 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.733 0.758 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.131 -1.273 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.644 -1.196 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.005 1.000 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.513 0.982 -2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.304 -1.039 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.158 0.271 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.866 -1.598 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.905 -0.776 -3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.884 -2.142 -3.588 1.00 0.00 H new ATOM 559 N SER A 391 -4.662 0.446 1.796 1.00 0.00 N ATOM 560 CA SER A 391 -4.897 1.222 3.011 1.00 0.00 C ATOM 561 C SER A 391 -5.634 2.530 2.718 1.00 0.00 C ATOM 562 O SER A 391 -6.648 2.821 3.353 1.00 0.00 O ATOM 563 CB SER A 391 -3.572 1.516 3.716 1.00 0.00 C ATOM 564 OG SER A 391 -3.779 2.256 4.908 1.00 0.00 O ATOM 0 H SER A 391 -3.688 0.180 1.653 1.00 0.00 H new ATOM 0 HA SER A 391 -5.531 0.622 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.066 0.579 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.917 2.074 3.047 1.00 0.00 H new ATOM 0 HG SER A 391 -2.916 2.429 5.340 1.00 0.00 H new ATOM 570 N PRO A 392 -5.152 3.343 1.752 1.00 0.00 N ATOM 571 CA PRO A 392 -5.796 4.607 1.399 1.00 0.00 C ATOM 572 C PRO A 392 -7.280 4.423 1.133 1.00 0.00 C ATOM 573 O PRO A 392 -8.096 5.297 1.427 1.00 0.00 O ATOM 574 CB PRO A 392 -5.081 5.023 0.103 1.00 0.00 C ATOM 575 CG PRO A 392 -4.337 3.816 -0.344 1.00 0.00 C ATOM 576 CD PRO A 392 -3.964 3.117 0.916 1.00 0.00 C ATOM 0 HA PRO A 392 -5.722 5.344 2.199 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.796 5.346 -0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.404 5.859 0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.955 3.183 -0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.454 4.086 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.775 2.056 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.063 3.536 1.364 1.00 0.00 H new ATOM 584 N CYS A 393 -7.613 3.275 0.562 1.00 0.00 N ATOM 585 CA CYS A 393 -8.990 2.950 0.225 1.00 0.00 C ATOM 586 C CYS A 393 -9.847 2.775 1.476 1.00 0.00 C ATOM 587 O CYS A 393 -9.487 3.228 2.561 1.00 0.00 O ATOM 588 CB CYS A 393 -9.014 1.668 -0.603 1.00 0.00 C ATOM 589 SG CYS A 393 -7.919 1.710 -2.057 1.00 0.00 S ATOM 0 H CYS A 393 -6.941 2.547 0.321 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.408 3.776 -0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.726 0.831 0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.035 1.480 -0.934 1.00 0.00 H new ATOM 594 N LYS A 394 -10.980 2.105 1.304 1.00 0.00 N ATOM 595 CA LYS A 394 -11.903 1.849 2.401 1.00 0.00 C ATOM 596 C LYS A 394 -12.830 0.697 2.045 1.00 0.00 C ATOM 597 O LYS A 394 -13.644 0.794 1.122 1.00 0.00 O ATOM 598 CB LYS A 394 -12.710 3.109 2.727 1.00 0.00 C ATOM 599 CG LYS A 394 -13.746 2.911 3.824 1.00 0.00 C ATOM 600 CD LYS A 394 -14.396 4.226 4.227 1.00 0.00 C ATOM 601 CE LYS A 394 -15.098 4.895 3.054 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.725 6.187 3.447 1.00 0.00 N ATOM 0 H LYS A 394 -11.283 1.726 0.407 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.329 1.574 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.024 3.901 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.214 3.450 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.512 2.217 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.272 2.457 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.115 4.046 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.637 4.898 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.380 5.069 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.862 4.226 2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.193 6.611 2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.428 6.018 4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.992 6.835 3.801 1.00 0.00 H new ATOM 616 N TRP A 395 -12.680 -0.401 2.779 1.00 0.00 N ATOM 617 CA TRP A 395 -13.474 -1.599 2.552 1.00 0.00 C ATOM 618 C TRP A 395 -14.884 -1.453 3.119 1.00 0.00 C ATOM 619 O TRP A 395 -15.094 -0.779 4.127 1.00 0.00 O ATOM 620 CB TRP A 395 -12.787 -2.814 3.178 1.00 0.00 C ATOM 621 CG TRP A 395 -13.419 -4.118 2.801 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.983 -5.031 3.646 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.541 -4.661 1.482 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.458 -6.104 2.930 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.196 -5.901 1.600 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.163 -4.217 0.211 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.481 -6.701 0.497 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.445 -5.013 -0.883 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.098 -6.242 -0.735 1.00 0.00 C ATOM 0 H TRP A 395 -12.009 -0.484 3.543 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.556 -1.742 1.475 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.740 -2.826 2.875 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.803 -2.712 4.263 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.046 -4.925 4.719 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.929 -6.919 3.324 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.660 -3.269 0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.986 -7.649 0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.156 -4.681 -1.869 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.304 -6.840 -1.610 1.00 0.00 H new ATOM 640 N HIS A 396 -15.842 -2.106 2.468 1.00 0.00 N ATOM 641 CA HIS A 396 -17.231 -2.073 2.904 1.00 0.00 C ATOM 642 C HIS A 396 -17.849 -3.464 2.821 1.00 0.00 C ATOM 643 O HIS A 396 -17.996 -4.028 1.731 1.00 0.00 O ATOM 644 CB HIS A 396 -18.040 -1.089 2.058 1.00 0.00 C ATOM 645 CG HIS A 396 -17.655 0.342 2.273 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.763 0.974 3.495 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.166 1.269 1.415 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.358 2.225 3.379 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.990 2.430 2.127 1.00 0.00 N ATOM 0 H HIS A 396 -15.679 -2.667 1.632 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.253 -1.739 3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.911 -1.337 1.004 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.099 -1.210 2.287 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.103 0.542 4.354 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.954 1.122 0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.332 2.957 4.173 1.00 0.00 H new ATOM 658 N ASN A 397 -18.196 -4.007 3.987 1.00 0.00 N ATOM 659 CA ASN A 397 -18.792 -5.336 4.089 1.00 0.00 C ATOM 660 C ASN A 397 -20.301 -5.286 3.871 1.00 0.00 C ATOM 661 O ASN A 397 -20.948 -4.282 4.170 1.00 0.00 O ATOM 662 CB ASN A 397 -18.479 -5.946 5.460 1.00 0.00 C ATOM 663 CG ASN A 397 -19.002 -7.363 5.604 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.210 -7.598 5.581 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.091 -8.318 5.755 1.00 0.00 N ATOM 0 H ASN A 397 -18.072 -3.539 4.885 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.360 -5.961 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.400 -5.944 5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.915 -5.321 6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.383 -9.290 5.857 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.099 -8.079 5.768 1.00 0.00 H new ATOM 672 N ASP A 398 -20.851 -6.380 3.347 1.00 0.00 N ATOM 673 CA ASP A 398 -22.283 -6.479 3.083 1.00 0.00 C ATOM 674 C ASP A 398 -22.714 -5.401 2.091 1.00 0.00 C ATOM 675 O ASP A 398 -23.798 -4.829 2.199 1.00 0.00 O ATOM 676 CB ASP A 398 -23.076 -6.354 4.390 1.00 0.00 C ATOM 677 CG ASP A 398 -24.497 -6.880 4.273 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.271 -6.339 3.457 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.833 -7.837 5.001 1.00 0.00 O ATOM 0 H ASP A 398 -20.321 -7.215 3.096 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.491 -7.455 2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.556 -6.899 5.178 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.105 -5.307 4.692 1.00 0.00 H new ATOM 684 N ALA A 399 -21.848 -5.134 1.120 1.00 0.00 N ATOM 685 CA ALA A 399 -22.123 -4.135 0.095 1.00 0.00 C ATOM 686 C ALA A 399 -22.898 -4.752 -1.062 1.00 0.00 C ATOM 687 O ALA A 399 -23.089 -5.968 -1.111 1.00 0.00 O ATOM 688 CB ALA A 399 -20.822 -3.523 -0.404 1.00 0.00 C ATOM 0 H ALA A 399 -20.945 -5.598 1.021 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.735 -3.347 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.040 -2.778 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.301 -3.047 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.191 -4.305 -0.828 1.00 0.00 H new ATOM 694 N GLU A 400 -23.330 -3.914 -2.001 1.00 0.00 N ATOM 695 CA GLU A 400 -24.068 -4.389 -3.165 1.00 0.00 C ATOM 696 C GLU A 400 -23.270 -5.480 -3.865 1.00 0.00 C ATOM 697 O GLU A 400 -23.830 -6.386 -4.484 1.00 0.00 O ATOM 698 CB GLU A 400 -24.338 -3.233 -4.130 1.00 0.00 C ATOM 699 CG GLU A 400 -25.097 -2.079 -3.497 1.00 0.00 C ATOM 700 CD GLU A 400 -25.336 -0.937 -4.466 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.344 -0.359 -4.958 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.514 -0.621 -4.733 1.00 0.00 O ATOM 0 H GLU A 400 -23.182 -2.905 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.024 -4.797 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.388 -2.864 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.906 -3.607 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.055 -2.440 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.538 -1.710 -2.637 1.00 0.00 H new ATOM 709 N ASN A 401 -21.952 -5.375 -3.749 1.00 0.00 N ATOM 710 CA ASN A 401 -21.036 -6.332 -4.348 1.00 0.00 C ATOM 711 C ASN A 401 -19.616 -6.061 -3.866 1.00 0.00 C ATOM 712 O ASN A 401 -18.674 -6.027 -4.659 1.00 0.00 O ATOM 713 CB ASN A 401 -21.108 -6.252 -5.876 1.00 0.00 C ATOM 714 CG ASN A 401 -20.746 -4.880 -6.429 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.473 -3.920 -5.549 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.718 -4.684 -7.644 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.490 -4.624 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.325 -7.338 -4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.436 -6.996 -6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.117 -6.511 -6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.933 -5.445 -8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.479 -3.761 -8.006 1.00 0.00 H new ATOM 723 N LYS A 402 -19.483 -5.851 -2.554 1.00 0.00 N ATOM 724 CA LYS A 402 -18.192 -5.558 -1.937 1.00 0.00 C ATOM 725 C LYS A 402 -17.678 -4.206 -2.421 1.00 0.00 C ATOM 726 O LYS A 402 -17.601 -3.961 -3.625 1.00 0.00 O ATOM 727 CB LYS A 402 -17.177 -6.660 -2.260 1.00 0.00 C ATOM 728 CG LYS A 402 -17.667 -8.061 -1.927 1.00 0.00 C ATOM 729 CD LYS A 402 -18.015 -8.201 -0.452 1.00 0.00 C ATOM 730 CE LYS A 402 -18.534 -9.593 -0.136 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.916 -9.730 1.297 1.00 0.00 N ATOM 0 H LYS A 402 -20.262 -5.879 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.323 -5.520 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.930 -6.614 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.257 -6.466 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.544 -8.293 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.898 -8.787 -2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.132 -7.994 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.768 -7.460 -0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.398 -9.810 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.769 -10.330 -0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.265 -10.694 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.086 -9.548 1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.664 -9.044 1.524 1.00 0.00 H new ATOM 745 N LYS A 403 -17.347 -3.316 -1.487 1.00 0.00 N ATOM 746 CA LYS A 403 -16.872 -1.988 -1.869 1.00 0.00 C ATOM 747 C LYS A 403 -15.511 -1.652 -1.263 1.00 0.00 C ATOM 748 O LYS A 403 -15.210 -2.016 -0.129 1.00 0.00 O ATOM 749 CB LYS A 403 -17.896 -0.923 -1.478 1.00 0.00 C ATOM 750 CG LYS A 403 -19.230 -1.077 -2.190 1.00 0.00 C ATOM 751 CD LYS A 403 -20.185 0.060 -1.854 1.00 0.00 C ATOM 752 CE LYS A 403 -19.687 1.391 -2.399 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.555 1.369 -3.882 1.00 0.00 N ATOM 0 H LYS A 403 -17.397 -3.484 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.749 -1.998 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.060 -0.966 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.486 0.063 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.066 -1.107 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.684 -2.028 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.170 -0.157 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.302 0.130 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.376 2.183 -2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.722 1.628 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.989 2.225 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.548 1.338 -4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.035 0.528 -4.261 1.00 0.00 H new ATOM 767 N CYS A 404 -14.704 -0.934 -2.041 1.00 0.00 N ATOM 768 CA CYS A 404 -13.374 -0.506 -1.617 1.00 0.00 C ATOM 769 C CYS A 404 -13.108 0.905 -2.136 1.00 0.00 C ATOM 770 O CYS A 404 -12.272 1.104 -3.013 1.00 0.00 O ATOM 771 CB CYS A 404 -12.294 -1.461 -2.142 1.00 0.00 C ATOM 772 SG CYS A 404 -10.605 -1.019 -1.615 1.00 0.00 S ATOM 0 H CYS A 404 -14.954 -0.633 -2.983 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.337 -0.516 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.519 -2.472 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.333 -1.476 -3.231 1.00 0.00 H new ATOM 777 N THR A 405 -13.852 1.874 -1.610 1.00 0.00 N ATOM 778 CA THR A 405 -13.720 3.265 -2.041 1.00 0.00 C ATOM 779 C THR A 405 -12.560 3.982 -1.357 1.00 0.00 C ATOM 780 O THR A 405 -12.280 3.757 -0.180 1.00 0.00 O ATOM 781 CB THR A 405 -15.014 4.059 -1.782 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.350 4.009 -0.391 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.163 3.506 -2.611 1.00 0.00 C ATOM 0 H THR A 405 -14.553 1.723 -0.885 1.00 0.00 H new ATOM 0 HA THR A 405 -13.520 3.225 -3.112 1.00 0.00 H new ATOM 0 HB THR A 405 -14.844 5.095 -2.075 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.173 4.518 -0.235 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.066 4.083 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.914 3.576 -3.670 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.333 2.462 -2.347 1.00 0.00 H new ATOM 791 N LEU A 406 -11.899 4.860 -2.111 1.00 0.00 N ATOM 792 CA LEU A 406 -10.778 5.637 -1.600 1.00 0.00 C ATOM 793 C LEU A 406 -11.271 6.690 -0.617 1.00 0.00 C ATOM 794 O LEU A 406 -12.338 7.275 -0.803 1.00 0.00 O ATOM 795 CB LEU A 406 -10.026 6.296 -2.760 1.00 0.00 C ATOM 796 CG LEU A 406 -8.704 6.993 -2.408 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.948 8.357 -1.784 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.865 6.122 -1.486 1.00 0.00 C ATOM 0 H LEU A 406 -12.126 5.050 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.095 4.969 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.821 5.533 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.686 7.029 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.151 7.145 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.992 8.825 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.495 8.986 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.532 8.240 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.933 6.635 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.417 5.929 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.643 5.177 -1.981 1.00 0.00 H new ATOM 810 N ASP A 407 -10.488 6.928 0.424 1.00 0.00 N ATOM 811 CA ASP A 407 -10.845 7.915 1.435 1.00 0.00 C ATOM 812 C ASP A 407 -9.757 8.979 1.551 1.00 0.00 C ATOM 813 O ASP A 407 -8.580 8.661 1.709 1.00 0.00 O ATOM 814 CB ASP A 407 -11.067 7.233 2.787 1.00 0.00 C ATOM 815 CG ASP A 407 -11.555 8.195 3.856 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.739 9.390 3.543 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.759 7.750 5.004 1.00 0.00 O ATOM 0 H ASP A 407 -9.602 6.452 0.592 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.772 8.401 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.793 6.429 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.134 6.774 3.115 1.00 0.00 H new ATOM 822 N LYS A 408 -10.161 10.242 1.464 1.00 0.00 N ATOM 823 CA LYS A 408 -9.223 11.354 1.549 1.00 0.00 C ATOM 824 C LYS A 408 -8.608 11.456 2.940 1.00 0.00 C ATOM 825 O LYS A 408 -7.424 11.753 3.083 1.00 0.00 O ATOM 826 CB LYS A 408 -9.919 12.668 1.165 1.00 0.00 C ATOM 827 CG LYS A 408 -11.078 13.063 2.074 1.00 0.00 C ATOM 828 CD LYS A 408 -10.603 13.832 3.298 1.00 0.00 C ATOM 829 CE LYS A 408 -11.768 14.253 4.180 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.714 15.150 3.461 1.00 0.00 N ATOM 0 H LYS A 408 -11.134 10.521 1.334 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.413 11.168 0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.181 13.470 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.289 12.583 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.787 13.674 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.611 12.167 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.915 13.213 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.048 14.715 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.300 13.367 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.387 14.762 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -13.342 15.614 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.178 15.872 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.283 14.591 2.794 1.00 0.00 H new ATOM 844 N GLU A 409 -9.423 11.218 3.961 1.00 0.00 N ATOM 845 CA GLU A 409 -8.970 11.293 5.343 1.00 0.00 C ATOM 846 C GLU A 409 -7.964 10.191 5.668 1.00 0.00 C ATOM 847 O GLU A 409 -6.925 10.446 6.278 1.00 0.00 O ATOM 848 CB GLU A 409 -10.169 11.200 6.285 1.00 0.00 C ATOM 849 CG GLU A 409 -9.800 11.290 7.755 1.00 0.00 C ATOM 850 CD GLU A 409 -9.229 12.644 8.139 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.163 13.535 7.266 1.00 0.00 O ATOM 852 OE2 GLU A 409 -8.853 12.814 9.319 1.00 0.00 O ATOM 0 H GLU A 409 -10.407 10.970 3.855 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.468 12.251 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.870 12.000 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.687 10.258 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.685 11.090 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.071 10.514 7.990 1.00 0.00 H new ATOM 859 N GLU A 410 -8.282 8.965 5.272 1.00 0.00 N ATOM 860 CA GLU A 410 -7.407 7.828 5.535 1.00 0.00 C ATOM 861 C GLU A 410 -6.119 7.914 4.721 1.00 0.00 C ATOM 862 O GLU A 410 -5.035 7.640 5.234 1.00 0.00 O ATOM 863 CB GLU A 410 -8.133 6.515 5.238 1.00 0.00 C ATOM 864 CG GLU A 410 -9.347 6.282 6.126 1.00 0.00 C ATOM 865 CD GLU A 410 -10.035 4.960 5.849 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.547 4.205 4.984 1.00 0.00 O ATOM 867 OE2 GLU A 410 -11.062 4.679 6.501 1.00 0.00 O ATOM 0 H GLU A 410 -9.138 8.732 4.768 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.139 7.854 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.449 6.511 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.436 5.686 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.038 6.313 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -10.059 7.094 5.980 1.00 0.00 H new ATOM 874 N ALA A 411 -6.243 8.286 3.450 1.00 0.00 N ATOM 875 CA ALA A 411 -5.082 8.398 2.572 1.00 0.00 C ATOM 876 C ALA A 411 -4.149 9.527 3.004 1.00 0.00 C ATOM 877 O ALA A 411 -2.931 9.363 3.014 1.00 0.00 O ATOM 878 CB ALA A 411 -5.527 8.601 1.132 1.00 0.00 C ATOM 0 H ALA A 411 -7.133 8.514 3.006 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.523 7.465 2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.651 8.683 0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.132 7.752 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.117 9.514 1.059 1.00 0.00 H new ATOM 884 N LYS A 412 -4.719 10.675 3.354 1.00 0.00 N ATOM 885 CA LYS A 412 -3.915 11.815 3.779 1.00 0.00 C ATOM 886 C LYS A 412 -3.141 11.480 5.050 1.00 0.00 C ATOM 887 O LYS A 412 -1.997 11.901 5.222 1.00 0.00 O ATOM 888 CB LYS A 412 -4.790 13.051 4.005 1.00 0.00 C ATOM 889 CG LYS A 412 -5.740 12.925 5.187 1.00 0.00 C ATOM 890 CD LYS A 412 -6.589 14.175 5.366 1.00 0.00 C ATOM 891 CE LYS A 412 -5.742 15.390 5.708 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.577 16.604 5.928 1.00 0.00 N ATOM 0 H LYS A 412 -5.726 10.840 3.352 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.205 12.039 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.146 13.917 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.371 13.243 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.390 12.062 5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.167 12.742 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.148 14.368 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.320 14.007 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.157 15.184 6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.034 15.578 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.963 17.411 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.116 16.816 5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.236 16.434 6.715 1.00 0.00 H new ATOM 906 N LYS A 413 -3.776 10.722 5.937 1.00 0.00 N ATOM 907 CA LYS A 413 -3.165 10.325 7.190 1.00 0.00 C ATOM 908 C LYS A 413 -2.099 9.253 6.974 1.00 0.00 C ATOM 909 O LYS A 413 -1.026 9.307 7.574 1.00 0.00 O ATOM 910 CB LYS A 413 -4.247 9.818 8.142 1.00 0.00 C ATOM 911 CG LYS A 413 -3.698 9.161 9.390 1.00 0.00 C ATOM 912 CD LYS A 413 -2.879 10.131 10.229 1.00 0.00 C ATOM 913 CE LYS A 413 -2.366 9.472 11.500 1.00 0.00 C ATOM 914 NZ LYS A 413 -3.480 8.992 12.364 1.00 0.00 N ATOM 0 H LYS A 413 -4.724 10.369 5.804 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.672 11.193 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.884 10.653 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.878 9.104 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.522 8.771 9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -3.077 8.310 9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -2.037 10.499 9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -3.490 10.996 10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -1.721 8.633 11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -1.755 10.183 12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -3.113 8.769 13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -4.205 9.734 12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -3.901 8.138 11.946 1.00 0.00 H new ATOM 928 N VAL A 414 -2.403 8.275 6.120 1.00 0.00 N ATOM 929 CA VAL A 414 -1.470 7.189 5.837 1.00 0.00 C ATOM 930 C VAL A 414 -0.146 7.734 5.311 1.00 0.00 C ATOM 931 O VAL A 414 0.925 7.216 5.628 1.00 0.00 O ATOM 932 CB VAL A 414 -2.055 6.176 4.833 1.00 0.00 C ATOM 933 CG1 VAL A 414 -1.943 6.693 3.418 1.00 0.00 C ATOM 934 CG2 VAL A 414 -1.373 4.823 4.973 1.00 0.00 C ATOM 0 H VAL A 414 -3.287 8.214 5.614 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.293 6.668 6.778 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.113 6.047 5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.363 5.960 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -2.491 7.631 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.894 6.862 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.801 4.124 4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.306 4.932 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.523 4.443 5.984 1.00 0.00 H new ATOM 944 N ALA A 415 -0.233 8.786 4.507 1.00 0.00 N ATOM 945 CA ALA A 415 0.950 9.413 3.934 1.00 0.00 C ATOM 946 C ALA A 415 1.600 10.367 4.931 1.00 0.00 C ATOM 947 O ALA A 415 2.824 10.450 5.021 1.00 0.00 O ATOM 948 CB ALA A 415 0.588 10.151 2.654 1.00 0.00 C ATOM 0 H ALA A 415 -1.114 9.224 4.237 1.00 0.00 H new ATOM 0 HA ALA A 415 1.669 8.629 3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.482 10.615 2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 415 0.174 9.447 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.151 10.921 2.875 1.00 0.00 H new ATOM 954 N ASP A 416 0.767 11.088 5.676 1.00 0.00 N ATOM 955 CA ASP A 416 1.246 12.047 6.668 1.00 0.00 C ATOM 956 C ASP A 416 1.674 11.337 7.950 1.00 0.00 C ATOM 957 O ASP A 416 1.425 11.818 9.056 1.00 0.00 O ATOM 958 CB ASP A 416 0.153 13.070 6.976 1.00 0.00 C ATOM 959 CG ASP A 416 0.647 14.223 7.832 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.856 14.258 8.145 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.176 15.095 8.184 1.00 0.00 O ATOM 0 H ASP A 416 -0.249 11.026 5.611 1.00 0.00 H new ATOM 0 HA ASP A 416 2.114 12.562 6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.244 13.463 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.671 12.571 7.487 1.00 0.00 H new ATOM 966 N GLU A 417 2.317 10.190 7.792 1.00 0.00 N ATOM 967 CA GLU A 417 2.781 9.412 8.937 1.00 0.00 C ATOM 968 C GLU A 417 3.960 8.513 8.566 1.00 0.00 C ATOM 969 O GLU A 417 4.871 8.315 9.371 1.00 0.00 O ATOM 970 CB GLU A 417 1.640 8.568 9.514 1.00 0.00 C ATOM 971 CG GLU A 417 1.116 7.508 8.558 1.00 0.00 C ATOM 972 CD GLU A 417 0.003 6.674 9.163 1.00 0.00 C ATOM 973 OE1 GLU A 417 -0.373 6.936 10.325 1.00 0.00 O ATOM 974 OE2 GLU A 417 -0.494 5.759 8.474 1.00 0.00 O ATOM 0 H GLU A 417 2.530 9.776 6.885 1.00 0.00 H new ATOM 0 HA GLU A 417 3.120 10.118 9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 417 1.986 8.082 10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 417 0.819 9.228 9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 417 0.751 7.991 7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.936 6.853 8.263 1.00 0.00 H new ATOM 981 N THR A 418 3.942 7.967 7.352 1.00 0.00 N ATOM 982 CA THR A 418 5.014 7.088 6.898 1.00 0.00 C ATOM 983 C THR A 418 4.993 6.912 5.380 1.00 0.00 C ATOM 984 O THR A 418 4.903 5.794 4.871 1.00 0.00 O ATOM 985 CB THR A 418 4.930 5.711 7.580 1.00 0.00 C ATOM 986 OG1 THR A 418 5.929 4.831 7.049 1.00 0.00 O ATOM 987 CG2 THR A 418 3.554 5.107 7.388 1.00 0.00 C ATOM 0 H THR A 418 3.200 8.118 6.669 1.00 0.00 H new ATOM 0 HA THR A 418 5.954 7.565 7.177 1.00 0.00 H new ATOM 0 HB THR A 418 5.108 5.845 8.647 1.00 0.00 H new ATOM 0 HG1 THR A 418 5.837 4.782 6.075 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.513 4.134 7.877 1.00 0.00 H new ATOM 0 HG22 THR A 418 2.803 5.765 7.826 1.00 0.00 H new ATOM 0 HG23 THR A 418 3.355 4.987 6.323 1.00 0.00 H new ATOM 995 N ALA A 419 5.084 8.026 4.656 1.00 0.00 N ATOM 996 CA ALA A 419 5.079 7.989 3.196 1.00 0.00 C ATOM 997 C ALA A 419 5.582 9.304 2.605 1.00 0.00 C ATOM 998 O ALA A 419 6.384 9.304 1.670 1.00 0.00 O ATOM 999 CB ALA A 419 3.683 7.676 2.678 1.00 0.00 C ATOM 0 H ALA A 419 5.162 8.961 5.055 1.00 0.00 H new ATOM 0 HA ALA A 419 5.759 7.198 2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 419 3.696 7.652 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 419 3.363 6.706 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 419 2.989 8.445 3.016 1.00 0.00 H new ATOM 1005 N LYS A 420 5.107 10.420 3.150 1.00 0.00 N ATOM 1006 CA LYS A 420 5.514 11.737 2.669 1.00 0.00 C ATOM 1007 C LYS A 420 7.012 11.951 2.860 1.00 0.00 C ATOM 1008 O LYS A 420 7.721 12.317 1.922 1.00 0.00 O ATOM 1009 CB LYS A 420 4.738 12.836 3.397 1.00 0.00 C ATOM 1010 CG LYS A 420 3.237 12.802 3.143 1.00 0.00 C ATOM 1011 CD LYS A 420 2.513 13.889 3.925 1.00 0.00 C ATOM 1012 CE LYS A 420 2.986 15.280 3.530 1.00 0.00 C ATOM 1013 NZ LYS A 420 2.725 15.569 2.093 1.00 0.00 N ATOM 0 H LYS A 420 4.442 10.439 3.923 1.00 0.00 H new ATOM 0 HA LYS A 420 5.289 11.787 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 420 4.918 12.746 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 420 5.127 13.807 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 420 3.044 12.929 2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 420 2.842 11.826 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 420 1.440 13.807 3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 420 2.676 13.739 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 420 2.482 16.024 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 420 4.054 15.371 3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 2.903 16.576 1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 3.354 14.989 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 1.735 15.344 1.868 1.00 0.00 H new ATOM 1027 N ASP A 421 7.483 11.724 4.078 1.00 0.00 N ATOM 1028 CA ASP A 421 8.897 11.895 4.396 1.00 0.00 C ATOM 1029 C ASP A 421 9.734 10.768 3.794 1.00 0.00 C ATOM 1030 O ASP A 421 9.472 9.589 4.038 1.00 0.00 O ATOM 1031 CB ASP A 421 9.097 11.941 5.913 1.00 0.00 C ATOM 1032 CG ASP A 421 8.364 13.101 6.558 1.00 0.00 C ATOM 1033 OD1 ASP A 421 7.122 13.160 6.437 1.00 0.00 O ATOM 1034 OD2 ASP A 421 9.033 13.951 7.183 1.00 0.00 O ATOM 0 H ASP A 421 6.908 11.421 4.864 1.00 0.00 H new ATOM 0 HA ASP A 421 9.229 12.838 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 421 8.748 11.006 6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 421 10.161 12.019 6.134 1.00 0.00 H new ATOM 1039 N GLY A 422 10.744 11.138 3.012 1.00 0.00 N ATOM 1040 CA GLY A 422 11.606 10.145 2.394 1.00 0.00 C ATOM 1041 C GLY A 422 12.187 10.614 1.076 1.00 0.00 C ATOM 1042 O GLY A 422 12.599 11.767 0.943 1.00 0.00 O ATOM 0 H GLY A 422 10.981 12.106 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 422 12.419 9.899 3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 422 11.039 9.229 2.231 1.00 0.00 H new ATOM 1046 N LYS A 423 12.214 9.714 0.098 1.00 0.00 N ATOM 1047 CA LYS A 423 12.740 10.027 -1.226 1.00 0.00 C ATOM 1048 C LYS A 423 11.883 11.088 -1.910 1.00 0.00 C ATOM 1049 O LYS A 423 12.370 11.844 -2.750 1.00 0.00 O ATOM 1050 CB LYS A 423 12.795 8.760 -2.086 1.00 0.00 C ATOM 1051 CG LYS A 423 13.617 7.637 -1.471 1.00 0.00 C ATOM 1052 CD LYS A 423 15.064 8.052 -1.251 1.00 0.00 C ATOM 1053 CE LYS A 423 15.868 6.944 -0.589 1.00 0.00 C ATOM 1054 NZ LYS A 423 15.901 5.709 -1.421 1.00 0.00 N ATOM 0 H LYS A 423 11.876 8.757 0.199 1.00 0.00 H new ATOM 0 HA LYS A 423 13.750 10.421 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 423 11.779 8.403 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 423 13.212 9.011 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 423 13.175 7.342 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 423 13.584 6.764 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 423 15.519 8.311 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 423 15.096 8.947 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 423 16.886 7.290 -0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 423 15.436 6.714 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 16.615 5.055 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 14.967 5.252 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 16.144 5.957 -2.401 1.00 0.00 H new ATOM 1068 N THR A 424 10.601 11.124 -1.547 1.00 0.00 N ATOM 1069 CA THR A 424 9.651 12.078 -2.115 1.00 0.00 C ATOM 1070 C THR A 424 9.621 11.989 -3.638 1.00 0.00 C ATOM 1071 O THR A 424 9.553 13.005 -4.331 1.00 0.00 O ATOM 1072 CB THR A 424 9.967 13.530 -1.691 1.00 0.00 C ATOM 1073 OG1 THR A 424 11.209 13.958 -2.258 1.00 0.00 O ATOM 1074 CG2 THR A 424 10.031 13.648 -0.176 1.00 0.00 C ATOM 0 H THR A 424 10.194 10.496 -0.854 1.00 0.00 H new ATOM 0 HA THR A 424 8.671 11.810 -1.722 1.00 0.00 H new ATOM 0 HB THR A 424 9.165 14.169 -2.061 1.00 0.00 H new ATOM 0 HG1 THR A 424 11.534 13.278 -2.885 1.00 0.00 H new ATOM 0 HG21 THR A 424 10.255 14.679 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 424 9.072 13.358 0.252 1.00 0.00 H new ATOM 0 HG23 THR A 424 10.813 12.992 0.207 1.00 0.00 H new ATOM 1082 N GLY A 425 9.667 10.762 -4.150 1.00 0.00 N ATOM 1083 CA GLY A 425 9.637 10.549 -5.586 1.00 0.00 C ATOM 1084 C GLY A 425 8.229 10.588 -6.150 1.00 0.00 C ATOM 1085 O GLY A 425 7.842 9.713 -6.924 1.00 0.00 O ATOM 0 H GLY A 425 9.725 9.909 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 425 10.242 11.312 -6.076 1.00 0.00 H new ATOM 0 HA3 GLY A 425 10.091 9.585 -5.817 1.00 0.00 H new ATOM 1089 N ASN A 426 7.462 11.602 -5.758 1.00 0.00 N ATOM 1090 CA ASN A 426 6.087 11.751 -6.223 1.00 0.00 C ATOM 1091 C ASN A 426 6.031 11.799 -7.748 1.00 0.00 C ATOM 1092 O ASN A 426 6.828 12.484 -8.388 1.00 0.00 O ATOM 1093 CB ASN A 426 5.465 13.020 -5.635 1.00 0.00 C ATOM 1094 CG ASN A 426 3.997 13.168 -5.990 1.00 0.00 C ATOM 1095 OD1 ASN A 426 3.634 13.252 -7.163 1.00 0.00 O ATOM 1096 ND2 ASN A 426 3.145 13.203 -4.973 1.00 0.00 N ATOM 0 H ASN A 426 7.771 12.334 -5.118 1.00 0.00 H new ATOM 0 HA ASN A 426 5.517 10.885 -5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 426 5.573 13.004 -4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 426 6.012 13.890 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 426 2.145 13.303 -5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 426 3.490 13.130 -4.016 1.00 0.00 H new ATOM 1103 N THR A 427 5.085 11.060 -8.321 1.00 0.00 N ATOM 1104 CA THR A 427 4.924 11.009 -9.771 1.00 0.00 C ATOM 1105 C THR A 427 4.629 12.389 -10.348 1.00 0.00 C ATOM 1106 O THR A 427 3.813 13.136 -9.809 1.00 0.00 O ATOM 1107 CB THR A 427 3.791 10.049 -10.175 1.00 0.00 C ATOM 1108 OG1 THR A 427 2.551 10.482 -9.602 1.00 0.00 O ATOM 1109 CG2 THR A 427 4.096 8.630 -9.721 1.00 0.00 C ATOM 0 H THR A 427 4.418 10.488 -7.803 1.00 0.00 H new ATOM 0 HA THR A 427 5.868 10.645 -10.177 1.00 0.00 H new ATOM 0 HB THR A 427 3.710 10.057 -11.262 1.00 0.00 H new ATOM 0 HG1 THR A 427 1.836 9.866 -9.866 1.00 0.00 H new ATOM 0 HG21 THR A 427 3.281 7.970 -10.018 1.00 0.00 H new ATOM 0 HG22 THR A 427 5.024 8.292 -10.183 1.00 0.00 H new ATOM 0 HG23 THR A 427 4.202 8.610 -8.636 1.00 0.00 H new ATOM 1117 N ASN A 428 5.298 12.714 -11.451 1.00 0.00 N ATOM 1118 CA ASN A 428 5.115 13.997 -12.115 1.00 0.00 C ATOM 1119 C ASN A 428 5.956 14.073 -13.386 1.00 0.00 C ATOM 1120 O ASN A 428 5.463 14.453 -14.447 1.00 0.00 O ATOM 1121 CB ASN A 428 5.482 15.147 -11.172 1.00 0.00 C ATOM 1122 CG ASN A 428 5.303 16.510 -11.815 1.00 0.00 C ATOM 1123 OD1 ASN A 428 5.958 16.834 -12.805 1.00 0.00 O ATOM 1124 ND2 ASN A 428 4.413 17.317 -11.252 1.00 0.00 N ATOM 0 H ASN A 428 5.975 12.101 -11.904 1.00 0.00 H new ATOM 0 HA ASN A 428 4.064 14.089 -12.389 1.00 0.00 H new ATOM 0 HB2 ASN A 428 4.864 15.088 -10.276 1.00 0.00 H new ATOM 0 HB3 ASN A 428 6.518 15.033 -10.853 1.00 0.00 H new ATOM 0 HD21 ASN A 428 4.250 18.246 -11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 428 3.891 17.008 -10.432 1.00 0.00 H new ATOM 1131 N THR A 429 7.229 13.706 -13.269 1.00 0.00 N ATOM 1132 CA THR A 429 8.137 13.730 -14.409 1.00 0.00 C ATOM 1133 C THR A 429 7.742 12.685 -15.446 1.00 0.00 C ATOM 1134 O THR A 429 7.404 11.553 -15.097 1.00 0.00 O ATOM 1135 CB THR A 429 9.595 13.483 -13.974 1.00 0.00 C ATOM 1136 OG1 THR A 429 9.991 14.462 -13.006 1.00 0.00 O ATOM 1137 CG2 THR A 429 10.534 13.542 -15.171 1.00 0.00 C ATOM 0 H THR A 429 7.654 13.389 -12.397 1.00 0.00 H new ATOM 0 HA THR A 429 8.063 14.723 -14.851 1.00 0.00 H new ATOM 0 HB THR A 429 9.654 12.489 -13.531 1.00 0.00 H new ATOM 0 HG1 THR A 429 10.918 14.297 -12.734 1.00 0.00 H new ATOM 0 HG21 THR A 429 11.557 13.365 -14.840 1.00 0.00 H new ATOM 0 HG22 THR A 429 10.249 12.778 -15.895 1.00 0.00 H new ATOM 0 HG23 THR A 429 10.469 14.525 -15.637 1.00 0.00 H new ATOM 1145 N THR A 430 7.793 13.078 -16.721 1.00 0.00 N ATOM 1146 CA THR A 430 7.446 12.190 -17.833 1.00 0.00 C ATOM 1147 C THR A 430 5.936 11.973 -17.934 1.00 0.00 C ATOM 1148 O THR A 430 5.381 11.947 -19.033 1.00 0.00 O ATOM 1149 CB THR A 430 8.149 10.821 -17.715 1.00 0.00 C ATOM 1150 OG1 THR A 430 9.569 11.004 -17.659 1.00 0.00 O ATOM 1151 CG2 THR A 430 7.798 9.926 -18.894 1.00 0.00 C ATOM 0 H THR A 430 8.074 14.015 -17.010 1.00 0.00 H new ATOM 0 HA THR A 430 7.793 12.687 -18.739 1.00 0.00 H new ATOM 0 HB THR A 430 7.805 10.340 -16.799 1.00 0.00 H new ATOM 0 HG1 THR A 430 10.009 10.131 -17.582 1.00 0.00 H new ATOM 0 HG21 THR A 430 8.306 8.968 -18.787 1.00 0.00 H new ATOM 0 HG22 THR A 430 6.720 9.765 -18.920 1.00 0.00 H new ATOM 0 HG23 THR A 430 8.116 10.404 -19.821 1.00 0.00 H new ATOM 1159 N GLY A 431 5.277 11.816 -16.789 1.00 0.00 N ATOM 1160 CA GLY A 431 3.842 11.603 -16.780 1.00 0.00 C ATOM 1161 C GLY A 431 3.452 10.239 -17.320 1.00 0.00 C ATOM 1162 O GLY A 431 3.978 9.794 -18.341 1.00 0.00 O ATOM 0 H GLY A 431 5.713 11.833 -15.867 1.00 0.00 H new ATOM 0 HA2 GLY A 431 3.469 11.707 -15.761 1.00 0.00 H new ATOM 0 HA3 GLY A 431 3.359 12.377 -17.376 1.00 0.00 H new ATOM 1166 N SER A 432 2.532 9.575 -16.627 1.00 0.00 N ATOM 1167 CA SER A 432 2.066 8.251 -17.029 1.00 0.00 C ATOM 1168 C SER A 432 1.084 8.338 -18.197 1.00 0.00 C ATOM 1169 O SER A 432 -0.091 7.997 -18.056 1.00 0.00 O ATOM 1170 CB SER A 432 1.408 7.542 -15.844 1.00 0.00 C ATOM 1171 OG SER A 432 2.324 7.380 -14.774 1.00 0.00 O ATOM 0 H SER A 432 2.092 9.934 -15.780 1.00 0.00 H new ATOM 0 HA SER A 432 2.932 7.676 -17.357 1.00 0.00 H new ATOM 0 HB2 SER A 432 0.546 8.117 -15.505 1.00 0.00 H new ATOM 0 HB3 SER A 432 1.037 6.567 -16.160 1.00 0.00 H new ATOM 0 HG SER A 432 1.879 6.926 -14.028 1.00 0.00 H new ATOM 1177 N SER A 433 1.571 8.793 -19.349 1.00 0.00 N ATOM 1178 CA SER A 433 0.734 8.922 -20.538 1.00 0.00 C ATOM 1179 C SER A 433 0.083 7.587 -20.894 1.00 0.00 C ATOM 1180 O SER A 433 0.822 6.592 -21.049 1.00 0.00 O ATOM 1181 CB SER A 433 1.562 9.426 -21.721 1.00 0.00 C ATOM 1182 OG SER A 433 2.125 10.697 -21.444 1.00 0.00 O ATOM 1183 OXT SER A 433 -1.159 7.550 -21.015 1.00 0.00 O ATOM 0 H SER A 433 2.541 9.078 -19.484 1.00 0.00 H new ATOM 0 HA SER A 433 -0.052 9.645 -20.319 1.00 0.00 H new ATOM 0 HB2 SER A 433 2.356 8.713 -21.943 1.00 0.00 H new ATOM 0 HB3 SER A 433 0.933 9.489 -22.609 1.00 0.00 H new ATOM 0 HG SER A 433 2.651 10.997 -22.215 1.00 0.00 H new TER 1189 SER A 433