USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 838 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: B 13 LYS NZ :NH3+ -157:sc= 0.22 (180deg=-2.17!) USER MOD Set 1.2: B 81 ASN : amide:sc= -0.782! C(o=1.4!,f=-4.4!) USER MOD Set 1.3: B 83 SER OG : rot -48:sc= 0.802 USER MOD Set 1.4: B 84 THR OG1 : rot 36:sc= 1.15 USER MOD Set 2.1: B 45 HIS : no HE2:sc= -2.85! C(o=-2.9!,f=-5.5!) USER MOD Set 2.2: B 75 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 54 LYS NZ :NH3+ 150:sc= 1.2 (180deg=-0.522) USER MOD Set 3.2: B 66 GLN : amide:sc= -1.08 K(o=-2.4,f=-15!) USER MOD Set 3.3: B 76 ASN : amide:sc= -2.47 K(o=-2.4,f=-4!) USER MOD Single : A 404 ASN : amide:sc= 0.165 X(o=0.16,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -151:sc= 1.49 (180deg=-2.15!) USER MOD Single : B 17 GLN : amide:sc= 0.311 K(o=0.31,f=-2.2!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -149:sc= -0.327 (180deg=-1.44!) USER MOD Single : B 20 GLN : amide:sc= 0.116 X(o=0.12,f=-0.078) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -116:sc= -0.641 (180deg=-2.36) USER MOD Single : B 38 LYS NZ :NH3+ -120:sc= 0.963 (180deg=-1.93!) USER MOD Single : B 42 THR OG1 : rot 170:sc= -0.75 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -169:sc= -0.763 (180deg=-1.02) USER MOD Single : B 47 TYR OH : rot 141:sc= 1.23 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 180:sc= -3.06! USER MOD Single : B 53 GLN : amide:sc= -1.91 K(o=-1.9,f=-4.2!) USER MOD Single : B 56 SER OG : rot 170:sc= -0.802 USER MOD Single : B 60 LYS NZ :NH3+ 164:sc= 2.89 (180deg=1.58!) USER MOD Single : B 62 LYS NZ :NH3+ 159:sc= 1.27 (180deg=-0.226) USER MOD Single : B 64 GLN :FLIP amide:sc= 0.0693 F(o=-2.3!,f=0.069) USER MOD Single : B 70 HIS : no HD1:sc= -5.92! C(o=-5.9!,f=-11!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.1) USER MOD Single : B 80 SER OG : rot 166:sc= 1.31 USER MOD Single : B 87 LYS NZ :NH3+ 174:sc= 1.29 (180deg=1.24) USER MOD Single : B 93 LYS NZ :NH3+ 173:sc= 1.71 (180deg=1.32) USER MOD Single : B 97 GLN : amide:sc= -3.12 K(o=-3.1,f=-7.6!) USER MOD Single : B 98 GLN : amide:sc= -0.0876 K(o=-0.088,f=-0.72) USER MOD Single : B 102 LYS NZ :NH3+ -169:sc= 1.25 (180deg=0.993) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.259 13.157 11.880 1.00 0.00 N ATOM 102 CA GLU A 399 0.124 12.973 12.778 1.00 0.00 C ATOM 103 C GLU A 399 -0.746 11.827 12.304 1.00 0.00 C ATOM 104 O GLU A 399 -1.567 11.989 11.410 1.00 0.00 O ATOM 105 CB GLU A 399 -0.678 14.262 12.818 1.00 0.00 C ATOM 106 CG GLU A 399 -1.768 14.288 13.862 1.00 0.00 C ATOM 107 CD GLU A 399 -2.611 15.542 13.758 1.00 0.00 C ATOM 108 OE1 GLU A 399 -3.800 15.491 14.124 1.00 0.00 O ATOM 109 OE2 GLU A 399 -2.088 16.569 13.267 1.00 0.00 O ATOM 0 HA GLU A 399 0.484 12.731 13.778 1.00 0.00 H new ATOM 0 HB2 GLU A 399 0.003 15.093 13.001 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -1.126 14.427 11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -2.404 13.411 13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -1.323 14.230 14.855 1.00 0.00 H new ATOM 116 N ASP A 400 -0.576 10.676 12.916 1.00 0.00 N ATOM 117 CA ASP A 400 -1.318 9.496 12.522 1.00 0.00 C ATOM 118 C ASP A 400 -1.860 8.726 13.724 1.00 0.00 C ATOM 119 O ASP A 400 -1.182 7.877 14.298 1.00 0.00 O ATOM 120 CB ASP A 400 -0.413 8.602 11.679 1.00 0.00 C ATOM 121 CG ASP A 400 0.920 8.288 12.346 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.663 9.231 12.697 1.00 0.00 O ATOM 123 OD2 ASP A 400 1.240 7.096 12.508 1.00 0.00 O ATOM 0 H ASP A 400 0.071 10.530 13.691 1.00 0.00 H new ATOM 0 HA ASP A 400 -2.182 9.813 11.938 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -0.933 7.668 11.467 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.226 9.087 10.721 1.00 0.00 H new ATOM 128 N ASP A 401 -3.080 9.047 14.111 1.00 0.00 N ATOM 129 CA ASP A 401 -3.719 8.386 15.253 1.00 0.00 C ATOM 130 C ASP A 401 -5.199 8.083 15.013 1.00 0.00 C ATOM 131 O ASP A 401 -5.647 6.966 15.268 1.00 0.00 O ATOM 132 CB ASP A 401 -3.537 9.217 16.533 1.00 0.00 C ATOM 133 CG ASP A 401 -4.228 10.572 16.474 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.652 11.068 17.533 1.00 0.00 O ATOM 135 OD2 ASP A 401 -4.346 11.142 15.363 1.00 0.00 O ATOM 0 H ASP A 401 -3.654 9.758 13.658 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.219 7.426 15.378 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -3.927 8.655 17.382 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.472 9.367 16.712 1.00 0.00 H new ATOM 140 N ASP A 402 -5.952 9.062 14.509 1.00 0.00 N ATOM 141 CA ASP A 402 -7.385 8.882 14.231 1.00 0.00 C ATOM 142 C ASP A 402 -7.582 8.006 13.003 1.00 0.00 C ATOM 143 O ASP A 402 -8.682 7.885 12.462 1.00 0.00 O ATOM 144 CB ASP A 402 -8.085 10.232 14.023 1.00 0.00 C ATOM 145 CG ASP A 402 -7.409 11.110 12.983 1.00 0.00 C ATOM 146 OD1 ASP A 402 -7.506 12.347 13.109 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.760 10.576 12.055 1.00 0.00 O ATOM 0 H ASP A 402 -5.596 9.991 14.283 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.831 8.393 15.097 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -9.117 10.055 13.722 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -8.117 10.766 14.973 1.00 0.00 H new ATOM 152 N PHE A 403 -6.489 7.402 12.592 1.00 0.00 N ATOM 153 CA PHE A 403 -6.428 6.530 11.462 1.00 0.00 C ATOM 154 C PHE A 403 -7.439 5.386 11.584 1.00 0.00 C ATOM 155 O PHE A 403 -7.337 4.547 12.478 1.00 0.00 O ATOM 156 CB PHE A 403 -5.019 5.992 11.416 1.00 0.00 C ATOM 157 CG PHE A 403 -4.225 6.416 10.242 1.00 0.00 C ATOM 158 CD1 PHE A 403 -4.747 6.307 8.978 1.00 0.00 C ATOM 159 CD2 PHE A 403 -2.938 6.877 10.403 1.00 0.00 C ATOM 160 CE1 PHE A 403 -3.999 6.648 7.882 1.00 0.00 C ATOM 161 CE2 PHE A 403 -2.185 7.230 9.311 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.715 7.111 8.049 1.00 0.00 C ATOM 0 H PHE A 403 -5.590 7.515 13.060 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.679 7.067 10.547 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.497 6.305 12.321 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -5.061 4.903 11.433 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -5.757 5.949 8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -2.518 6.961 11.394 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -4.416 6.554 6.890 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -1.179 7.600 9.443 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.123 7.381 7.187 1.00 0.00 H new ATOM 172 N ASN A 404 -8.395 5.357 10.671 1.00 0.00 N ATOM 173 CA ASN A 404 -9.436 4.331 10.664 1.00 0.00 C ATOM 174 C ASN A 404 -9.099 3.278 9.635 1.00 0.00 C ATOM 175 O ASN A 404 -8.792 3.603 8.497 1.00 0.00 O ATOM 176 CB ASN A 404 -10.801 4.951 10.353 1.00 0.00 C ATOM 177 CG ASN A 404 -11.532 5.423 11.595 1.00 0.00 C ATOM 178 OD1 ASN A 404 -12.373 4.714 12.141 1.00 0.00 O ATOM 179 ND2 ASN A 404 -11.213 6.625 12.052 1.00 0.00 N ATOM 0 H ASN A 404 -8.476 6.038 9.916 1.00 0.00 H new ATOM 0 HA ASN A 404 -9.485 3.871 11.651 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.666 5.794 9.675 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.417 4.218 9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.672 6.992 12.886 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.509 7.184 11.570 1.00 0.00 H new ATOM 361 N VAL B 8 -0.960 -0.239 -13.698 1.00 0.00 N ATOM 362 CA VAL B 8 -1.332 0.879 -12.841 1.00 0.00 C ATOM 363 C VAL B 8 -2.821 1.155 -12.954 1.00 0.00 C ATOM 364 O VAL B 8 -3.320 1.516 -14.018 1.00 0.00 O ATOM 365 CB VAL B 8 -0.561 2.164 -13.205 1.00 0.00 C ATOM 366 CG1 VAL B 8 -1.044 3.332 -12.360 1.00 0.00 C ATOM 367 CG2 VAL B 8 0.937 1.963 -13.033 1.00 0.00 C ATOM 0 HA VAL B 8 -1.076 0.597 -11.820 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.755 2.392 -14.253 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.489 4.230 -12.630 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.107 3.495 -12.538 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.883 3.109 -11.305 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.460 2.883 -13.296 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.153 1.706 -11.996 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.273 1.156 -13.684 1.00 0.00 H new ATOM 377 N LEU B 9 -3.522 0.969 -11.851 1.00 0.00 N ATOM 378 CA LEU B 9 -4.954 1.194 -11.818 1.00 0.00 C ATOM 379 C LEU B 9 -5.273 2.575 -11.259 1.00 0.00 C ATOM 380 O LEU B 9 -6.280 3.182 -11.617 1.00 0.00 O ATOM 381 CB LEU B 9 -5.650 0.123 -10.967 1.00 0.00 C ATOM 382 CG LEU B 9 -5.226 -1.325 -11.238 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.945 -2.272 -10.292 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.501 -1.707 -12.686 1.00 0.00 C ATOM 0 H LEU B 9 -3.121 0.662 -10.965 1.00 0.00 H new ATOM 0 HA LEU B 9 -5.324 1.133 -12.842 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.466 0.345 -9.916 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.725 0.202 -11.126 1.00 0.00 H new ATOM 0 HG LEU B 9 -4.153 -1.406 -11.063 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.634 -3.296 -10.497 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.696 -2.016 -9.262 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -7.022 -2.184 -10.438 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.192 -2.739 -12.855 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.567 -1.609 -12.892 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.941 -1.047 -13.349 1.00 0.00 H new ATOM 396 N LEU B 10 -4.412 3.070 -10.379 1.00 0.00 N ATOM 397 CA LEU B 10 -4.629 4.369 -9.766 1.00 0.00 C ATOM 398 C LEU B 10 -3.345 5.173 -9.644 1.00 0.00 C ATOM 399 O LEU B 10 -2.284 4.631 -9.333 1.00 0.00 O ATOM 400 CB LEU B 10 -5.231 4.180 -8.380 1.00 0.00 C ATOM 401 CG LEU B 10 -5.695 5.469 -7.691 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.120 5.819 -8.064 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.573 5.343 -6.188 1.00 0.00 C ATOM 0 H LEU B 10 -3.563 2.593 -10.077 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.309 4.925 -10.412 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.081 3.503 -8.459 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.493 3.692 -7.744 1.00 0.00 H new ATOM 0 HG LEU B 10 -5.047 6.274 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.414 6.738 -7.557 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.189 5.962 -9.142 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.784 5.010 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.907 6.268 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.191 4.515 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.533 5.155 -5.922 1.00 0.00 H new ATOM 415 N ILE B 11 -3.457 6.469 -9.896 1.00 0.00 N ATOM 416 CA ILE B 11 -2.335 7.382 -9.773 1.00 0.00 C ATOM 417 C ILE B 11 -2.707 8.474 -8.789 1.00 0.00 C ATOM 418 O ILE B 11 -3.697 9.180 -8.980 1.00 0.00 O ATOM 419 CB ILE B 11 -1.936 8.041 -11.108 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.548 6.975 -12.138 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.786 9.020 -10.878 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.265 7.534 -13.515 1.00 0.00 C ATOM 0 H ILE B 11 -4.326 6.914 -10.190 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.480 6.798 -9.433 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.790 8.592 -11.502 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.665 6.444 -11.783 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.352 6.243 -12.211 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.508 9.483 -11.825 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -1.100 9.792 -10.175 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.071 8.485 -10.470 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.997 6.721 -14.190 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.154 8.040 -13.892 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.440 8.244 -13.457 1.00 0.00 H new ATOM 434 N VAL B 12 -1.923 8.603 -7.743 1.00 0.00 N ATOM 435 CA VAL B 12 -2.176 9.592 -6.724 1.00 0.00 C ATOM 436 C VAL B 12 -1.096 10.653 -6.755 1.00 0.00 C ATOM 437 O VAL B 12 0.054 10.374 -7.086 1.00 0.00 O ATOM 438 CB VAL B 12 -2.229 8.954 -5.330 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.896 9.882 -4.339 1.00 0.00 C ATOM 440 CG2 VAL B 12 -2.953 7.621 -5.384 1.00 0.00 C ATOM 0 H VAL B 12 -1.097 8.028 -7.576 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.145 10.047 -6.930 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.207 8.779 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.922 9.408 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.333 10.814 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.914 10.094 -4.667 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.982 7.182 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.971 7.774 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.427 6.948 -6.062 1.00 0.00 H new ATOM 450 N LYS B 13 -1.472 11.861 -6.410 1.00 0.00 N ATOM 451 CA LYS B 13 -0.542 12.972 -6.411 1.00 0.00 C ATOM 452 C LYS B 13 -0.229 13.386 -4.991 1.00 0.00 C ATOM 453 O LYS B 13 -0.842 12.877 -4.061 1.00 0.00 O ATOM 454 CB LYS B 13 -1.114 14.163 -7.185 1.00 0.00 C ATOM 455 CG LYS B 13 -1.080 13.996 -8.699 1.00 0.00 C ATOM 456 CD LYS B 13 -2.063 12.936 -9.180 1.00 0.00 C ATOM 457 CE LYS B 13 -3.472 13.488 -9.335 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.112 13.832 -8.029 1.00 0.00 N ATOM 0 H LYS B 13 -2.420 12.104 -6.123 1.00 0.00 H new ATOM 0 HA LYS B 13 0.375 12.649 -6.904 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.145 14.325 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.555 15.059 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -1.314 14.949 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.072 13.723 -9.011 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -1.724 12.535 -10.135 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.075 12.106 -8.473 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.440 14.378 -9.963 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.089 12.754 -9.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.146 13.824 -8.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.833 13.133 -7.311 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.802 14.778 -7.729 1.00 0.00 H new ATOM 472 N LYS B 14 0.691 14.346 -4.877 1.00 0.00 N ATOM 473 CA LYS B 14 1.165 14.906 -3.602 1.00 0.00 C ATOM 474 C LYS B 14 0.856 14.024 -2.394 1.00 0.00 C ATOM 475 O LYS B 14 -0.117 14.238 -1.674 1.00 0.00 O ATOM 476 CB LYS B 14 0.561 16.294 -3.393 1.00 0.00 C ATOM 477 CG LYS B 14 1.349 17.410 -4.052 1.00 0.00 C ATOM 478 CD LYS B 14 2.158 18.191 -3.032 1.00 0.00 C ATOM 479 CE LYS B 14 3.495 18.629 -3.604 1.00 0.00 C ATOM 480 NZ LYS B 14 4.315 17.469 -4.031 1.00 0.00 N ATOM 0 H LYS B 14 1.141 14.769 -5.689 1.00 0.00 H new ATOM 0 HA LYS B 14 2.251 14.965 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.456 16.300 -3.784 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.492 16.493 -2.323 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.016 16.991 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.666 18.083 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.594 19.066 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.323 17.576 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.328 19.290 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.040 19.204 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.324 17.707 -3.947 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.101 16.651 -3.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.096 17.235 -5.020 1.00 0.00 H new ATOM 494 N VAL B 15 1.679 13.008 -2.224 1.00 0.00 N ATOM 495 CA VAL B 15 1.561 12.081 -1.110 1.00 0.00 C ATOM 496 C VAL B 15 2.922 11.923 -0.453 1.00 0.00 C ATOM 497 O VAL B 15 3.903 11.641 -1.131 1.00 0.00 O ATOM 498 CB VAL B 15 1.036 10.694 -1.557 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.277 9.644 -0.482 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.443 10.761 -1.891 1.00 0.00 C ATOM 0 H VAL B 15 2.452 12.799 -2.856 1.00 0.00 H new ATOM 0 HA VAL B 15 0.838 12.491 -0.405 1.00 0.00 H new ATOM 0 HB VAL B 15 1.587 10.406 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.898 8.680 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.346 9.564 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.759 9.934 0.432 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.791 9.776 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -1.001 11.081 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.601 11.474 -2.700 1.00 0.00 H new ATOM 510 N ARG B 16 2.991 12.125 0.852 1.00 0.00 N ATOM 511 CA ARG B 16 4.246 11.997 1.562 1.00 0.00 C ATOM 512 C ARG B 16 4.398 10.611 2.167 1.00 0.00 C ATOM 513 O ARG B 16 3.426 9.991 2.598 1.00 0.00 O ATOM 514 CB ARG B 16 4.375 13.032 2.680 1.00 0.00 C ATOM 515 CG ARG B 16 3.866 14.418 2.329 1.00 0.00 C ATOM 516 CD ARG B 16 4.161 15.401 3.452 1.00 0.00 C ATOM 517 NE ARG B 16 4.098 14.757 4.767 1.00 0.00 N ATOM 518 CZ ARG B 16 3.978 15.407 5.922 1.00 0.00 C ATOM 519 NH1 ARG B 16 3.913 16.730 5.953 1.00 0.00 N ATOM 520 NH2 ARG B 16 3.907 14.726 7.052 1.00 0.00 N ATOM 0 H ARG B 16 2.194 12.377 1.437 1.00 0.00 H new ATOM 0 HA ARG B 16 5.032 12.166 0.826 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.832 12.672 3.553 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.424 13.108 2.966 1.00 0.00 H new ATOM 0 HG2 ARG B 16 4.336 14.760 1.407 1.00 0.00 H new ATOM 0 HG3 ARG B 16 2.792 14.380 2.145 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.151 15.834 3.306 1.00 0.00 H new ATOM 0 HD3 ARG B 16 3.445 16.222 3.414 1.00 0.00 H new ATOM 0 HE ARG B 16 4.150 13.739 4.799 1.00 0.00 H new ATOM 0 HH11 ARG B 16 3.955 17.263 5.084 1.00 0.00 H new ATOM 0 HH12 ARG B 16 3.821 17.215 6.845 1.00 0.00 H new ATOM 0 HH21 ARG B 16 3.944 13.707 7.036 1.00 0.00 H new ATOM 0 HH22 ARG B 16 3.815 15.219 7.940 1.00 0.00 H new ATOM 534 N GLN B 17 5.627 10.139 2.175 1.00 0.00 N ATOM 535 CA GLN B 17 5.974 8.856 2.749 1.00 0.00 C ATOM 536 C GLN B 17 7.296 9.013 3.484 1.00 0.00 C ATOM 537 O GLN B 17 8.334 9.233 2.858 1.00 0.00 O ATOM 538 CB GLN B 17 6.090 7.784 1.662 1.00 0.00 C ATOM 539 CG GLN B 17 5.770 6.368 2.131 1.00 0.00 C ATOM 540 CD GLN B 17 6.539 5.957 3.372 1.00 0.00 C ATOM 541 OE1 GLN B 17 7.690 5.532 3.292 1.00 0.00 O ATOM 542 NE2 GLN B 17 5.896 6.062 4.523 1.00 0.00 N ATOM 0 H GLN B 17 6.422 10.641 1.779 1.00 0.00 H new ATOM 0 HA GLN B 17 5.193 8.536 3.439 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.419 8.042 0.843 1.00 0.00 H new ATOM 0 HB3 GLN B 17 7.103 7.800 1.261 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.702 6.293 2.333 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.992 5.667 1.326 1.00 0.00 H new ATOM 0 HE21 GLN B 17 4.941 6.420 4.543 1.00 0.00 H new ATOM 0 HE22 GLN B 17 6.355 5.785 5.391 1.00 0.00 H new ATOM 551 N LYS B 18 7.243 8.943 4.807 1.00 0.00 N ATOM 552 CA LYS B 18 8.427 9.087 5.643 1.00 0.00 C ATOM 553 C LYS B 18 8.955 10.523 5.561 1.00 0.00 C ATOM 554 O LYS B 18 10.126 10.765 5.262 1.00 0.00 O ATOM 555 CB LYS B 18 9.505 8.056 5.255 1.00 0.00 C ATOM 556 CG LYS B 18 10.724 8.033 6.173 1.00 0.00 C ATOM 557 CD LYS B 18 10.336 7.946 7.642 1.00 0.00 C ATOM 558 CE LYS B 18 9.680 6.618 7.978 1.00 0.00 C ATOM 559 NZ LYS B 18 9.001 6.663 9.295 1.00 0.00 N ATOM 0 H LYS B 18 6.381 8.785 5.330 1.00 0.00 H new ATOM 0 HA LYS B 18 8.155 8.887 6.679 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.054 7.064 5.248 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.837 8.263 4.238 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.355 7.183 5.915 1.00 0.00 H new ATOM 0 HG3 LYS B 18 11.318 8.932 6.008 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.224 8.079 8.260 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.653 8.760 7.886 1.00 0.00 H new ATOM 0 HE2 LYS B 18 8.957 6.362 7.204 1.00 0.00 H new ATOM 0 HE3 LYS B 18 10.433 5.830 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 8.564 5.740 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 9.696 6.883 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 8.265 7.398 9.281 1.00 0.00 H new ATOM 573 N LYS B 19 8.046 11.469 5.804 1.00 0.00 N ATOM 574 CA LYS B 19 8.352 12.905 5.816 1.00 0.00 C ATOM 575 C LYS B 19 8.833 13.425 4.451 1.00 0.00 C ATOM 576 O LYS B 19 9.526 14.440 4.389 1.00 0.00 O ATOM 577 CB LYS B 19 9.405 13.251 6.893 1.00 0.00 C ATOM 578 CG LYS B 19 9.371 12.376 8.148 1.00 0.00 C ATOM 579 CD LYS B 19 8.133 12.624 8.999 1.00 0.00 C ATOM 580 CE LYS B 19 8.427 13.469 10.225 1.00 0.00 C ATOM 581 NZ LYS B 19 9.588 12.949 10.993 1.00 0.00 N ATOM 0 H LYS B 19 7.067 11.260 6.000 1.00 0.00 H new ATOM 0 HA LYS B 19 7.412 13.403 6.054 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.396 13.177 6.445 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.267 14.290 7.191 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.403 11.326 7.856 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.263 12.568 8.745 1.00 0.00 H new ATOM 0 HD2 LYS B 19 7.374 13.120 8.394 1.00 0.00 H new ATOM 0 HD3 LYS B 19 7.715 11.668 9.313 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.625 14.496 9.919 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.548 13.493 10.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 9.459 13.161 12.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.658 11.920 10.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.460 13.402 10.652 1.00 0.00 H new ATOM 595 N GLN B 20 8.454 12.762 3.360 1.00 0.00 N ATOM 596 CA GLN B 20 8.874 13.207 2.028 1.00 0.00 C ATOM 597 C GLN B 20 7.710 13.101 1.043 1.00 0.00 C ATOM 598 O GLN B 20 7.035 12.081 0.980 1.00 0.00 O ATOM 599 CB GLN B 20 10.106 12.422 1.544 1.00 0.00 C ATOM 600 CG GLN B 20 9.796 11.083 0.903 1.00 0.00 C ATOM 601 CD GLN B 20 10.994 10.156 0.871 1.00 0.00 C ATOM 602 OE1 GLN B 20 11.806 10.197 -0.052 1.00 0.00 O ATOM 603 NE2 GLN B 20 11.100 9.297 1.871 1.00 0.00 N ATOM 0 H GLN B 20 7.867 11.928 3.367 1.00 0.00 H new ATOM 0 HA GLN B 20 9.168 14.255 2.088 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.651 13.035 0.826 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.771 12.258 2.392 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.985 10.602 1.450 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.441 11.246 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.405 9.295 2.618 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.877 8.636 1.896 1.00 0.00 H new ATOM 612 N ASP B 21 7.481 14.166 0.285 1.00 0.00 N ATOM 613 CA ASP B 21 6.367 14.227 -0.669 1.00 0.00 C ATOM 614 C ASP B 21 6.698 13.552 -2.004 1.00 0.00 C ATOM 615 O ASP B 21 7.864 13.458 -2.397 1.00 0.00 O ATOM 616 CB ASP B 21 5.972 15.687 -0.906 1.00 0.00 C ATOM 617 CG ASP B 21 4.490 15.858 -1.184 1.00 0.00 C ATOM 618 OD1 ASP B 21 3.769 16.362 -0.299 1.00 0.00 O ATOM 619 OD2 ASP B 21 4.049 15.507 -2.296 1.00 0.00 O ATOM 0 H ASP B 21 8.054 15.009 0.309 1.00 0.00 H new ATOM 0 HA ASP B 21 5.533 13.678 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.244 16.279 -0.032 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.543 16.081 -1.747 1.00 0.00 H new ATOM 624 N GLY B 22 5.657 13.079 -2.684 1.00 0.00 N ATOM 625 CA GLY B 22 5.809 12.419 -3.970 1.00 0.00 C ATOM 626 C GLY B 22 4.466 12.034 -4.573 1.00 0.00 C ATOM 627 O GLY B 22 3.446 12.642 -4.257 1.00 0.00 O ATOM 0 H GLY B 22 4.692 13.143 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.339 13.079 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.422 11.526 -3.849 1.00 0.00 H new ATOM 631 N ALA B 23 4.459 11.018 -5.431 1.00 0.00 N ATOM 632 CA ALA B 23 3.228 10.553 -6.069 1.00 0.00 C ATOM 633 C ALA B 23 3.084 9.048 -5.892 1.00 0.00 C ATOM 634 O ALA B 23 4.047 8.294 -6.046 1.00 0.00 O ATOM 635 CB ALA B 23 3.193 10.938 -7.544 1.00 0.00 C ATOM 0 H ALA B 23 5.294 10.499 -5.702 1.00 0.00 H new ATOM 0 HA ALA B 23 2.382 11.041 -5.585 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.266 10.579 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.245 12.023 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.042 10.488 -8.058 1.00 0.00 H new ATOM 641 N LEU B 24 1.874 8.624 -5.566 1.00 0.00 N ATOM 642 CA LEU B 24 1.575 7.219 -5.323 1.00 0.00 C ATOM 643 C LEU B 24 0.976 6.563 -6.571 1.00 0.00 C ATOM 644 O LEU B 24 0.204 7.180 -7.294 1.00 0.00 O ATOM 645 CB LEU B 24 0.604 7.126 -4.144 1.00 0.00 C ATOM 646 CG LEU B 24 0.183 5.713 -3.744 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.108 5.130 -2.705 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.243 5.713 -3.228 1.00 0.00 C ATOM 0 H LEU B 24 1.070 9.243 -5.462 1.00 0.00 H new ATOM 0 HA LEU B 24 2.496 6.686 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.063 7.607 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.292 7.697 -4.389 1.00 0.00 H new ATOM 0 HG LEU B 24 0.243 5.088 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.776 4.125 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.122 5.086 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.095 5.757 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.528 4.699 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.315 6.365 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.912 6.075 -4.008 1.00 0.00 H new ATOM 660 N TYR B 25 1.350 5.319 -6.826 1.00 0.00 N ATOM 661 CA TYR B 25 0.856 4.575 -7.981 1.00 0.00 C ATOM 662 C TYR B 25 0.422 3.181 -7.549 1.00 0.00 C ATOM 663 O TYR B 25 1.214 2.419 -7.001 1.00 0.00 O ATOM 664 CB TYR B 25 1.941 4.459 -9.060 1.00 0.00 C ATOM 665 CG TYR B 25 2.246 5.745 -9.799 1.00 0.00 C ATOM 666 CD1 TYR B 25 1.820 5.930 -11.106 1.00 0.00 C ATOM 667 CD2 TYR B 25 2.972 6.765 -9.196 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.106 7.095 -11.792 1.00 0.00 C ATOM 669 CE2 TYR B 25 3.260 7.934 -9.874 1.00 0.00 C ATOM 670 CZ TYR B 25 2.824 8.093 -11.172 1.00 0.00 C ATOM 671 OH TYR B 25 3.111 9.254 -11.852 1.00 0.00 O ATOM 0 H TYR B 25 2.002 4.795 -6.242 1.00 0.00 H new ATOM 0 HA TYR B 25 0.005 5.114 -8.397 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.858 4.098 -8.595 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.633 3.705 -9.784 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.255 5.150 -11.596 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.317 6.642 -8.180 1.00 0.00 H new ATOM 0 HE1 TYR B 25 1.768 7.222 -12.810 1.00 0.00 H new ATOM 0 HE2 TYR B 25 3.823 8.718 -9.390 1.00 0.00 H new ATOM 0 HH TYR B 25 3.623 9.855 -11.272 1.00 0.00 H new ATOM 681 N LEU B 26 -0.825 2.836 -7.801 1.00 0.00 N ATOM 682 CA LEU B 26 -1.328 1.534 -7.396 1.00 0.00 C ATOM 683 C LEU B 26 -1.448 0.584 -8.575 1.00 0.00 C ATOM 684 O LEU B 26 -2.161 0.863 -9.539 1.00 0.00 O ATOM 685 CB LEU B 26 -2.687 1.668 -6.712 1.00 0.00 C ATOM 686 CG LEU B 26 -2.760 2.730 -5.620 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.072 2.645 -4.880 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.626 2.586 -4.640 1.00 0.00 C ATOM 0 H LEU B 26 -1.503 3.429 -8.278 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.606 1.119 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.437 1.896 -7.470 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.955 0.704 -6.279 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.681 3.702 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.103 3.411 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.894 2.801 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.168 1.661 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.707 3.358 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.673 1.603 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.676 2.693 -5.164 1.00 0.00 H new ATOM 700 N MET B 27 -0.741 -0.531 -8.490 1.00 0.00 N ATOM 701 CA MET B 27 -0.788 -1.551 -9.522 1.00 0.00 C ATOM 702 C MET B 27 -1.694 -2.671 -9.059 1.00 0.00 C ATOM 703 O MET B 27 -1.941 -2.814 -7.866 1.00 0.00 O ATOM 704 CB MET B 27 0.597 -2.118 -9.834 1.00 0.00 C ATOM 705 CG MET B 27 1.580 -1.095 -10.367 1.00 0.00 C ATOM 706 SD MET B 27 2.393 -0.165 -9.059 1.00 0.00 S ATOM 707 CE MET B 27 3.279 1.038 -10.039 1.00 0.00 C ATOM 0 H MET B 27 -0.123 -0.753 -7.709 1.00 0.00 H new ATOM 0 HA MET B 27 -1.169 -1.092 -10.434 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.008 -2.563 -8.928 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.493 -2.921 -10.564 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.334 -1.601 -10.970 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.056 -0.404 -11.027 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.352 0.895 -9.908 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.022 0.911 -11.091 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.004 2.043 -9.717 1.00 0.00 H new ATOM 717 N ALA B 28 -2.149 -3.485 -9.989 1.00 0.00 N ATOM 718 CA ALA B 28 -3.050 -4.587 -9.674 1.00 0.00 C ATOM 719 C ALA B 28 -2.393 -5.613 -8.754 1.00 0.00 C ATOM 720 O ALA B 28 -3.076 -6.385 -8.086 1.00 0.00 O ATOM 721 CB ALA B 28 -3.520 -5.260 -10.955 1.00 0.00 C ATOM 0 H ALA B 28 -1.911 -3.407 -10.978 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.908 -4.171 -9.146 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -4.192 -6.082 -10.709 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -4.046 -4.534 -11.575 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.659 -5.647 -11.500 1.00 0.00 H new ATOM 727 N GLU B 29 -1.068 -5.612 -8.718 1.00 0.00 N ATOM 728 CA GLU B 29 -0.334 -6.568 -7.902 1.00 0.00 C ATOM 729 C GLU B 29 0.305 -5.920 -6.673 1.00 0.00 C ATOM 730 O GLU B 29 0.610 -6.607 -5.687 1.00 0.00 O ATOM 731 CB GLU B 29 0.781 -7.209 -8.737 1.00 0.00 C ATOM 732 CG GLU B 29 0.480 -7.287 -10.228 1.00 0.00 C ATOM 733 CD GLU B 29 1.001 -6.073 -10.979 1.00 0.00 C ATOM 734 OE1 GLU B 29 0.217 -5.130 -11.218 1.00 0.00 O ATOM 735 OE2 GLU B 29 2.205 -6.046 -11.306 1.00 0.00 O ATOM 0 H GLU B 29 -0.481 -4.963 -9.242 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.054 -7.313 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.700 -6.641 -8.593 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.967 -8.216 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.930 -8.190 -10.642 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.597 -7.370 -10.376 1.00 0.00 H new ATOM 742 N ARG B 30 0.487 -4.604 -6.696 1.00 0.00 N ATOM 743 CA ARG B 30 1.167 -3.948 -5.587 1.00 0.00 C ATOM 744 C ARG B 30 0.915 -2.452 -5.544 1.00 0.00 C ATOM 745 O ARG B 30 0.414 -1.862 -6.494 1.00 0.00 O ATOM 746 CB ARG B 30 2.678 -4.184 -5.713 1.00 0.00 C ATOM 747 CG ARG B 30 3.378 -3.171 -6.615 1.00 0.00 C ATOM 748 CD ARG B 30 4.587 -3.771 -7.308 1.00 0.00 C ATOM 749 NE ARG B 30 4.221 -4.459 -8.547 1.00 0.00 N ATOM 750 CZ ARG B 30 4.949 -4.411 -9.663 1.00 0.00 C ATOM 751 NH1 ARG B 30 6.076 -3.716 -9.701 1.00 0.00 N ATOM 752 NH2 ARG B 30 4.550 -5.047 -10.752 1.00 0.00 N ATOM 0 H ARG B 30 0.183 -3.986 -7.448 1.00 0.00 H new ATOM 0 HA ARG B 30 0.770 -4.379 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.128 -4.147 -4.721 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.850 -5.187 -6.104 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.675 -2.805 -7.363 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.689 -2.311 -6.022 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.307 -2.983 -7.529 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.080 -4.473 -6.635 1.00 0.00 H new ATOM 0 HE ARG B 30 3.360 -5.006 -8.557 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.393 -3.212 -8.872 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.627 -3.684 -10.559 1.00 0.00 H new ATOM 0 HH21 ARG B 30 3.680 -5.579 -10.742 1.00 0.00 H new ATOM 0 HH22 ARG B 30 5.113 -5.005 -11.602 1.00 0.00 H new ATOM 766 N ILE B 31 1.291 -1.855 -4.430 1.00 0.00 N ATOM 767 CA ILE B 31 1.170 -0.425 -4.234 1.00 0.00 C ATOM 768 C ILE B 31 2.573 0.179 -4.240 1.00 0.00 C ATOM 769 O ILE B 31 3.417 -0.177 -3.412 1.00 0.00 O ATOM 770 CB ILE B 31 0.432 -0.084 -2.914 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.779 1.334 -2.447 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.752 -1.108 -1.830 1.00 0.00 C ATOM 773 CD1 ILE B 31 -0.083 1.827 -1.306 1.00 0.00 C ATOM 0 H ILE B 31 1.690 -2.351 -3.633 1.00 0.00 H new ATOM 0 HA ILE B 31 0.573 -0.003 -5.042 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.640 -0.124 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.824 1.360 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.678 2.019 -3.289 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.222 -0.846 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.438 -2.098 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.825 -1.113 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.221 2.837 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.128 1.835 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.036 1.165 -0.448 1.00 0.00 H new ATOM 785 N ALA B 32 2.834 1.049 -5.201 1.00 0.00 N ATOM 786 CA ALA B 32 4.136 1.680 -5.322 1.00 0.00 C ATOM 787 C ALA B 32 4.018 3.188 -5.185 1.00 0.00 C ATOM 788 O ALA B 32 2.975 3.766 -5.462 1.00 0.00 O ATOM 789 CB ALA B 32 4.778 1.315 -6.652 1.00 0.00 C ATOM 0 H ALA B 32 2.159 1.335 -5.910 1.00 0.00 H new ATOM 0 HA ALA B 32 4.772 1.314 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.754 1.795 -6.729 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.900 0.234 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.141 1.655 -7.469 1.00 0.00 H new ATOM 795 N TRP B 33 5.075 3.821 -4.727 1.00 0.00 N ATOM 796 CA TRP B 33 5.078 5.261 -4.563 1.00 0.00 C ATOM 797 C TRP B 33 6.477 5.811 -4.818 1.00 0.00 C ATOM 798 O TRP B 33 7.475 5.191 -4.439 1.00 0.00 O ATOM 799 CB TRP B 33 4.551 5.616 -3.164 1.00 0.00 C ATOM 800 CG TRP B 33 4.722 7.051 -2.772 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.786 8.031 -2.882 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.879 7.665 -2.193 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.286 9.218 -2.428 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.570 9.021 -1.995 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.147 7.204 -1.828 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.480 9.920 -1.450 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.049 8.097 -1.286 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.711 9.442 -1.101 1.00 0.00 C ATOM 0 H TRP B 33 5.946 3.362 -4.461 1.00 0.00 H new ATOM 0 HA TRP B 33 4.415 5.726 -5.293 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.491 5.365 -3.116 1.00 0.00 H new ATOM 0 HB3 TRP B 33 5.060 4.991 -2.430 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.789 7.891 -3.273 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.785 10.106 -2.414 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.416 6.167 -1.968 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.223 10.959 -1.308 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 9.032 7.752 -1.000 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.438 10.116 -0.673 1.00 0.00 H new ATOM 819 N ALA B 34 6.551 6.958 -5.477 1.00 0.00 N ATOM 820 CA ALA B 34 7.830 7.579 -5.790 1.00 0.00 C ATOM 821 C ALA B 34 7.879 9.012 -5.278 1.00 0.00 C ATOM 822 O ALA B 34 6.900 9.749 -5.392 1.00 0.00 O ATOM 823 CB ALA B 34 8.078 7.550 -7.290 1.00 0.00 C ATOM 0 H ALA B 34 5.738 7.479 -5.806 1.00 0.00 H new ATOM 0 HA ALA B 34 8.614 7.010 -5.291 1.00 0.00 H new ATOM 0 HB1 ALA B 34 9.038 8.018 -7.509 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.090 6.517 -7.637 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.284 8.095 -7.801 1.00 0.00 H new ATOM 829 N PRO B 35 9.017 9.419 -4.698 1.00 0.00 N ATOM 830 CA PRO B 35 9.197 10.773 -4.180 1.00 0.00 C ATOM 831 C PRO B 35 9.238 11.797 -5.306 1.00 0.00 C ATOM 832 O PRO B 35 9.605 11.474 -6.440 1.00 0.00 O ATOM 833 CB PRO B 35 10.553 10.729 -3.456 1.00 0.00 C ATOM 834 CG PRO B 35 10.921 9.285 -3.369 1.00 0.00 C ATOM 835 CD PRO B 35 10.215 8.595 -4.500 1.00 0.00 C ATOM 0 HA PRO B 35 8.375 11.069 -3.528 1.00 0.00 H new ATOM 0 HB2 PRO B 35 11.308 11.292 -4.005 1.00 0.00 H new ATOM 0 HB3 PRO B 35 10.481 11.175 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO B 35 12.000 9.154 -3.448 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.619 8.865 -2.410 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.832 8.559 -5.398 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.959 7.566 -4.247 1.00 0.00 H new ATOM 843 N GLU B 36 8.860 13.025 -4.994 1.00 0.00 N ATOM 844 CA GLU B 36 8.855 14.088 -5.982 1.00 0.00 C ATOM 845 C GLU B 36 10.279 14.382 -6.437 1.00 0.00 C ATOM 846 O GLU B 36 11.124 14.796 -5.645 1.00 0.00 O ATOM 847 CB GLU B 36 8.207 15.344 -5.403 1.00 0.00 C ATOM 848 CG GLU B 36 7.695 16.310 -6.457 1.00 0.00 C ATOM 849 CD GLU B 36 6.470 17.066 -5.990 1.00 0.00 C ATOM 850 OE1 GLU B 36 6.616 17.996 -5.171 1.00 0.00 O ATOM 851 OE2 GLU B 36 5.348 16.715 -6.418 1.00 0.00 O ATOM 0 H GLU B 36 8.553 13.310 -4.064 1.00 0.00 H new ATOM 0 HA GLU B 36 8.272 13.767 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.378 15.050 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU B 36 8.933 15.859 -4.773 1.00 0.00 H new ATOM 0 HG2 GLU B 36 8.483 17.019 -6.711 1.00 0.00 H new ATOM 0 HG3 GLU B 36 7.456 15.760 -7.367 1.00 0.00 H new ATOM 858 N GLY B 37 10.541 14.138 -7.713 1.00 0.00 N ATOM 859 CA GLY B 37 11.863 14.372 -8.253 1.00 0.00 C ATOM 860 C GLY B 37 12.668 13.093 -8.388 1.00 0.00 C ATOM 861 O GLY B 37 13.842 13.126 -8.754 1.00 0.00 O ATOM 0 H GLY B 37 9.860 13.782 -8.384 1.00 0.00 H new ATOM 0 HA2 GLY B 37 11.774 14.847 -9.230 1.00 0.00 H new ATOM 0 HA3 GLY B 37 12.398 15.068 -7.607 1.00 0.00 H new ATOM 865 N LYS B 38 12.043 11.961 -8.085 1.00 0.00 N ATOM 866 CA LYS B 38 12.724 10.679 -8.186 1.00 0.00 C ATOM 867 C LYS B 38 12.405 9.988 -9.501 1.00 0.00 C ATOM 868 O LYS B 38 11.287 10.052 -10.007 1.00 0.00 O ATOM 869 CB LYS B 38 12.370 9.768 -7.012 1.00 0.00 C ATOM 870 CG LYS B 38 13.557 9.448 -6.109 1.00 0.00 C ATOM 871 CD LYS B 38 14.653 8.698 -6.856 1.00 0.00 C ATOM 872 CE LYS B 38 15.838 9.603 -7.180 1.00 0.00 C ATOM 873 NZ LYS B 38 16.868 8.910 -8.007 1.00 0.00 N ATOM 0 H LYS B 38 11.074 11.906 -7.770 1.00 0.00 H new ATOM 0 HA LYS B 38 13.795 10.879 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.589 10.242 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS B 38 11.956 8.836 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS B 38 13.963 10.374 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS B 38 13.219 8.849 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS B 38 14.993 7.856 -6.253 1.00 0.00 H new ATOM 0 HD3 LYS B 38 14.247 8.286 -7.780 1.00 0.00 H new ATOM 0 HE2 LYS B 38 15.483 10.487 -7.710 1.00 0.00 H new ATOM 0 HE3 LYS B 38 16.293 9.949 -6.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 17.773 8.895 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 16.562 7.934 -8.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 16.989 9.416 -8.907 1.00 0.00 H new ATOM 887 N ASP B 39 13.417 9.324 -10.028 1.00 0.00 N ATOM 888 CA ASP B 39 13.335 8.598 -11.288 1.00 0.00 C ATOM 889 C ASP B 39 12.754 7.204 -11.092 1.00 0.00 C ATOM 890 O ASP B 39 12.363 6.543 -12.052 1.00 0.00 O ATOM 891 CB ASP B 39 14.741 8.475 -11.879 1.00 0.00 C ATOM 892 CG ASP B 39 15.791 8.318 -10.793 1.00 0.00 C ATOM 893 OD1 ASP B 39 15.794 7.281 -10.093 1.00 0.00 O ATOM 894 OD2 ASP B 39 16.585 9.257 -10.583 1.00 0.00 O ATOM 0 H ASP B 39 14.335 9.271 -9.588 1.00 0.00 H new ATOM 0 HA ASP B 39 12.678 9.149 -11.961 1.00 0.00 H new ATOM 0 HB2 ASP B 39 14.780 7.618 -12.551 1.00 0.00 H new ATOM 0 HB3 ASP B 39 14.964 9.359 -12.477 1.00 0.00 H new ATOM 899 N ARG B 40 12.695 6.759 -9.846 1.00 0.00 N ATOM 900 CA ARG B 40 12.184 5.435 -9.551 1.00 0.00 C ATOM 901 C ARG B 40 11.370 5.426 -8.265 1.00 0.00 C ATOM 902 O ARG B 40 11.545 6.285 -7.398 1.00 0.00 O ATOM 903 CB ARG B 40 13.346 4.440 -9.450 1.00 0.00 C ATOM 904 CG ARG B 40 14.249 4.662 -8.245 1.00 0.00 C ATOM 905 CD ARG B 40 14.092 3.550 -7.217 1.00 0.00 C ATOM 906 NE ARG B 40 14.678 2.287 -7.674 1.00 0.00 N ATOM 907 CZ ARG B 40 14.223 1.081 -7.321 1.00 0.00 C ATOM 908 NH1 ARG B 40 13.139 0.966 -6.561 1.00 0.00 N ATOM 909 NH2 ARG B 40 14.846 -0.014 -7.749 1.00 0.00 N ATOM 0 H ARG B 40 12.993 7.293 -9.030 1.00 0.00 H new ATOM 0 HA ARG B 40 11.522 5.138 -10.364 1.00 0.00 H new ATOM 0 HB2 ARG B 40 12.942 3.429 -9.407 1.00 0.00 H new ATOM 0 HB3 ARG B 40 13.946 4.505 -10.358 1.00 0.00 H new ATOM 0 HG2 ARG B 40 15.288 4.713 -8.572 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.013 5.621 -7.784 1.00 0.00 H new ATOM 0 HD2 ARG B 40 14.566 3.852 -6.283 1.00 0.00 H new ATOM 0 HD3 ARG B 40 13.033 3.401 -7.004 1.00 0.00 H new ATOM 0 HE ARG B 40 15.482 2.331 -8.300 1.00 0.00 H new ATOM 0 HH11 ARG B 40 12.648 1.802 -6.243 1.00 0.00 H new ATOM 0 HH12 ARG B 40 12.798 0.042 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG B 40 15.669 0.068 -8.345 1.00 0.00 H new ATOM 0 HH22 ARG B 40 14.500 -0.935 -7.481 1.00 0.00 H new ATOM 923 N PHE B 41 10.488 4.442 -8.151 1.00 0.00 N ATOM 924 CA PHE B 41 9.641 4.296 -6.977 1.00 0.00 C ATOM 925 C PHE B 41 10.448 3.735 -5.813 1.00 0.00 C ATOM 926 O PHE B 41 11.182 2.757 -5.971 1.00 0.00 O ATOM 927 CB PHE B 41 8.463 3.358 -7.275 1.00 0.00 C ATOM 928 CG PHE B 41 7.683 3.715 -8.510 1.00 0.00 C ATOM 929 CD1 PHE B 41 8.014 3.166 -9.739 1.00 0.00 C ATOM 930 CD2 PHE B 41 6.615 4.594 -8.440 1.00 0.00 C ATOM 931 CE1 PHE B 41 7.294 3.488 -10.875 1.00 0.00 C ATOM 932 CE2 PHE B 41 5.895 4.920 -9.571 1.00 0.00 C ATOM 933 CZ PHE B 41 6.233 4.368 -10.790 1.00 0.00 C ATOM 0 H PHE B 41 10.341 3.728 -8.864 1.00 0.00 H new ATOM 0 HA PHE B 41 9.255 5.280 -6.712 1.00 0.00 H new ATOM 0 HB2 PHE B 41 8.841 2.341 -7.380 1.00 0.00 H new ATOM 0 HB3 PHE B 41 7.787 3.360 -6.420 1.00 0.00 H new ATOM 0 HD1 PHE B 41 8.844 2.479 -9.810 1.00 0.00 H new ATOM 0 HD2 PHE B 41 6.343 5.029 -7.490 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.561 3.052 -11.826 1.00 0.00 H new ATOM 0 HE2 PHE B 41 5.066 5.608 -9.502 1.00 0.00 H new ATOM 0 HZ PHE B 41 5.669 4.624 -11.675 1.00 0.00 H new ATOM 943 N THR B 42 10.330 4.363 -4.657 1.00 0.00 N ATOM 944 CA THR B 42 11.034 3.906 -3.471 1.00 0.00 C ATOM 945 C THR B 42 10.145 2.960 -2.678 1.00 0.00 C ATOM 946 O THR B 42 10.620 2.057 -1.993 1.00 0.00 O ATOM 947 CB THR B 42 11.441 5.091 -2.581 1.00 0.00 C ATOM 948 OG1 THR B 42 10.400 6.076 -2.588 1.00 0.00 O ATOM 949 CG2 THR B 42 12.739 5.716 -3.072 1.00 0.00 C ATOM 0 H THR B 42 9.753 5.192 -4.513 1.00 0.00 H new ATOM 0 HA THR B 42 11.937 3.385 -3.790 1.00 0.00 H new ATOM 0 HB THR B 42 11.596 4.725 -1.566 1.00 0.00 H new ATOM 0 HG1 THR B 42 10.584 6.751 -1.901 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.007 6.553 -2.427 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.534 4.970 -3.048 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.607 6.073 -4.093 1.00 0.00 H new ATOM 957 N ILE B 43 8.846 3.178 -2.801 1.00 0.00 N ATOM 958 CA ILE B 43 7.859 2.369 -2.113 1.00 0.00 C ATOM 959 C ILE B 43 7.316 1.291 -3.041 1.00 0.00 C ATOM 960 O ILE B 43 6.846 1.590 -4.137 1.00 0.00 O ATOM 961 CB ILE B 43 6.693 3.246 -1.600 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.148 4.087 -0.404 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.484 2.399 -1.231 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.684 3.268 0.750 1.00 0.00 C ATOM 0 H ILE B 43 8.449 3.919 -3.379 1.00 0.00 H new ATOM 0 HA ILE B 43 8.346 1.896 -1.260 1.00 0.00 H new ATOM 0 HB ILE B 43 6.394 3.916 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.920 4.782 -0.733 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.308 4.686 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.682 3.045 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.144 1.849 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.759 1.695 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.986 3.933 1.559 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.908 2.591 1.107 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.545 2.689 0.416 1.00 0.00 H new ATOM 976 N SER B 44 7.427 0.046 -2.614 1.00 0.00 N ATOM 977 CA SER B 44 6.928 -1.080 -3.383 1.00 0.00 C ATOM 978 C SER B 44 6.464 -2.174 -2.430 1.00 0.00 C ATOM 979 O SER B 44 7.280 -2.906 -1.871 1.00 0.00 O ATOM 980 CB SER B 44 8.015 -1.613 -4.321 1.00 0.00 C ATOM 981 OG SER B 44 7.516 -2.645 -5.158 1.00 0.00 O ATOM 0 H SER B 44 7.863 -0.212 -1.729 1.00 0.00 H new ATOM 0 HA SER B 44 6.086 -0.753 -3.993 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.399 -0.798 -4.935 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.851 -1.991 -3.733 1.00 0.00 H new ATOM 0 HG SER B 44 8.232 -2.964 -5.746 1.00 0.00 H new ATOM 987 N HIS B 45 5.160 -2.273 -2.228 1.00 0.00 N ATOM 988 CA HIS B 45 4.614 -3.279 -1.327 1.00 0.00 C ATOM 989 C HIS B 45 3.586 -4.140 -2.039 1.00 0.00 C ATOM 990 O HIS B 45 2.662 -3.624 -2.668 1.00 0.00 O ATOM 991 CB HIS B 45 3.960 -2.625 -0.107 1.00 0.00 C ATOM 992 CG HIS B 45 4.836 -1.656 0.623 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.836 -2.023 1.497 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.846 -0.302 0.590 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.410 -0.904 1.955 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.847 0.168 1.433 1.00 0.00 N ATOM 0 H HIS B 45 4.463 -1.675 -2.671 1.00 0.00 H new ATOM 0 HA HIS B 45 5.443 -3.905 -0.997 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.057 -2.107 -0.429 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.649 -3.407 0.586 1.00 0.00 H new ATOM 0 HD1 HIS B 45 6.093 -2.977 1.750 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.182 0.315 0.002 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.228 -0.882 2.660 1.00 0.00 H new ATOM 1004 N MET B 46 3.747 -5.450 -1.945 1.00 0.00 N ATOM 1005 CA MET B 46 2.813 -6.374 -2.564 1.00 0.00 C ATOM 1006 C MET B 46 1.574 -6.496 -1.702 1.00 0.00 C ATOM 1007 O MET B 46 1.673 -6.541 -0.480 1.00 0.00 O ATOM 1008 CB MET B 46 3.445 -7.756 -2.758 1.00 0.00 C ATOM 1009 CG MET B 46 4.130 -7.948 -4.100 1.00 0.00 C ATOM 1010 SD MET B 46 5.207 -6.580 -4.562 1.00 0.00 S ATOM 1011 CE MET B 46 5.521 -6.994 -6.274 1.00 0.00 C ATOM 0 H MET B 46 4.516 -5.897 -1.446 1.00 0.00 H new ATOM 0 HA MET B 46 2.545 -5.983 -3.545 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.173 -7.924 -1.964 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.671 -8.515 -2.647 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.716 -8.867 -4.071 1.00 0.00 H new ATOM 0 HG3 MET B 46 3.370 -8.078 -4.871 1.00 0.00 H new ATOM 0 HE1 MET B 46 6.322 -6.364 -6.660 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.815 -8.041 -6.347 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.617 -6.830 -6.860 1.00 0.00 H new ATOM 1021 N TYR B 47 0.413 -6.547 -2.338 1.00 0.00 N ATOM 1022 CA TYR B 47 -0.856 -6.674 -1.617 1.00 0.00 C ATOM 1023 C TYR B 47 -0.867 -7.945 -0.772 1.00 0.00 C ATOM 1024 O TYR B 47 -1.568 -8.029 0.231 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.009 -6.701 -2.617 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.163 -5.413 -3.389 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -1.776 -4.201 -2.834 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.703 -5.407 -4.665 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -1.925 -3.020 -3.527 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.852 -4.229 -5.366 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.463 -3.037 -4.791 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.612 -1.861 -5.484 1.00 0.00 O ATOM 0 H TYR B 47 0.318 -6.503 -3.353 1.00 0.00 H new ATOM 0 HA TYR B 47 -0.972 -5.818 -0.952 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.852 -7.520 -3.319 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -2.937 -6.910 -2.085 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.351 -4.184 -1.841 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -3.012 -6.338 -5.117 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.621 -2.086 -3.079 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -3.272 -4.240 -6.361 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.394 -2.008 -6.428 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.058 -8.917 -1.175 1.00 0.00 N ATOM 1043 CA ALA B 48 0.039 -10.188 -0.470 1.00 0.00 C ATOM 1044 C ALA B 48 0.802 -10.044 0.844 1.00 0.00 C ATOM 1045 O ALA B 48 0.845 -10.976 1.638 1.00 0.00 O ATOM 1046 CB ALA B 48 0.711 -11.227 -1.356 1.00 0.00 C ATOM 0 H ALA B 48 0.545 -8.847 -1.994 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.973 -10.517 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.779 -12.174 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.124 -11.366 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.712 -10.887 -1.620 1.00 0.00 H new ATOM 1052 N ASP B 49 1.401 -8.873 1.053 1.00 0.00 N ATOM 1053 CA ASP B 49 2.167 -8.575 2.256 1.00 0.00 C ATOM 1054 C ASP B 49 1.450 -7.531 3.091 1.00 0.00 C ATOM 1055 O ASP B 49 1.818 -7.265 4.239 1.00 0.00 O ATOM 1056 CB ASP B 49 3.541 -8.057 1.889 1.00 0.00 C ATOM 1057 CG ASP B 49 4.559 -9.165 1.727 1.00 0.00 C ATOM 1058 OD1 ASP B 49 5.309 -9.431 2.690 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.592 -9.799 0.649 1.00 0.00 O ATOM 0 H ASP B 49 1.367 -8.101 0.387 1.00 0.00 H new ATOM 0 HA ASP B 49 2.268 -9.495 2.832 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.475 -7.491 0.960 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.882 -7.366 2.660 1.00 0.00 H new ATOM 1064 N ILE B 50 0.420 -6.941 2.514 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.365 -5.949 3.216 1.00 0.00 C ATOM 1066 C ILE B 50 -1.515 -6.677 3.892 1.00 0.00 C ATOM 1067 O ILE B 50 -2.204 -7.470 3.255 1.00 0.00 O ATOM 1068 CB ILE B 50 -0.955 -4.877 2.273 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.039 -4.619 1.070 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.216 -3.589 3.033 1.00 0.00 C ATOM 1071 CD1 ILE B 50 1.125 -3.701 1.358 1.00 0.00 C ATOM 0 H ILE B 50 0.109 -7.133 1.562 1.00 0.00 H new ATOM 0 HA ILE B 50 0.285 -5.436 3.925 1.00 0.00 H new ATOM 0 HB ILE B 50 -1.902 -5.256 1.889 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.347 -5.573 0.711 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.632 -4.191 0.262 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.631 -2.844 2.354 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.924 -3.780 3.840 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.281 -3.217 3.451 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.720 -3.573 0.454 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.751 -2.731 1.686 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.745 -4.135 2.142 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.726 -6.434 5.168 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.795 -7.107 5.877 1.00 0.00 C ATOM 1085 C LYS B 51 -4.074 -6.299 5.779 1.00 0.00 C ATOM 1086 O LYS B 51 -5.140 -6.824 5.483 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.423 -7.313 7.339 1.00 0.00 C ATOM 1088 CG LYS B 51 -3.506 -8.010 8.134 1.00 0.00 C ATOM 1089 CD LYS B 51 -3.549 -7.493 9.552 1.00 0.00 C ATOM 1090 CE LYS B 51 -4.933 -7.655 10.160 1.00 0.00 C ATOM 1091 NZ LYS B 51 -5.235 -9.081 10.461 1.00 0.00 N ATOM 0 H LYS B 51 -1.179 -5.783 5.731 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.952 -8.083 5.417 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.505 -7.898 7.395 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.212 -6.345 7.794 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.473 -7.853 7.656 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.324 -9.085 8.140 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -2.819 -8.029 10.158 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.265 -6.441 9.566 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.000 -7.067 11.075 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.682 -7.261 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -6.186 -9.155 10.874 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.195 -9.637 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -4.535 -9.449 11.136 1.00 0.00 H new ATOM 1105 N CYS B 52 -3.943 -5.012 6.013 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.055 -4.103 5.973 1.00 0.00 C ATOM 1107 C CYS B 52 -4.532 -2.708 5.690 1.00 0.00 C ATOM 1108 O CYS B 52 -3.333 -2.523 5.482 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.807 -4.149 7.301 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.747 -4.246 8.760 1.00 0.00 S ATOM 0 H CYS B 52 -3.052 -4.568 6.238 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.750 -4.388 5.184 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.433 -3.260 7.381 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.476 -5.010 7.296 1.00 0.00 H new ATOM 0 HG CYS B 52 -5.484 -4.278 9.830 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.408 -1.730 5.659 1.00 0.00 N ATOM 1117 CA GLN B 53 -4.989 -0.373 5.394 1.00 0.00 C ATOM 1118 C GLN B 53 -5.854 0.618 6.163 1.00 0.00 C ATOM 1119 O GLN B 53 -7.048 0.392 6.333 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.049 -0.097 3.894 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.251 -0.720 3.195 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.432 0.221 3.072 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -7.269 1.435 2.944 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -8.632 -0.335 3.108 1.00 0.00 N ATOM 0 H GLN B 53 -6.409 -1.847 5.813 1.00 0.00 H new ATOM 0 HA GLN B 53 -3.960 -0.249 5.732 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.068 0.981 3.734 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.137 -0.472 3.429 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -5.953 -1.048 2.199 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -6.560 -1.609 3.744 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.723 -1.345 3.215 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -9.466 0.247 3.028 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.253 1.697 6.651 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.005 2.706 7.382 1.00 0.00 C ATOM 1135 C LYS B 54 -6.132 3.966 6.550 1.00 0.00 C ATOM 1136 O LYS B 54 -5.320 4.224 5.665 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.324 3.134 8.684 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.227 2.112 9.794 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.786 2.823 11.067 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.523 1.895 12.242 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.666 0.738 11.868 1.00 0.00 N ATOM 0 H LYS B 54 -4.257 1.893 6.555 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.969 2.247 7.602 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.314 3.463 8.442 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.857 4.002 9.072 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.190 1.625 9.946 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.514 1.332 9.529 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.879 3.390 10.857 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.553 3.543 11.352 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -4.043 2.455 13.044 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.473 1.529 12.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -3.108 0.438 12.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.266 -0.050 11.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -3.024 1.016 11.099 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.146 4.748 6.853 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.359 6.022 6.207 1.00 0.00 C ATOM 1157 C ILE B 55 -7.625 7.043 7.308 1.00 0.00 C ATOM 1158 O ILE B 55 -8.406 6.782 8.227 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.523 5.999 5.167 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -9.874 6.370 5.783 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.626 4.628 4.519 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.843 6.955 4.775 1.00 0.00 C ATOM 0 H ILE B 55 -7.847 4.516 7.557 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.472 6.283 5.629 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.284 6.752 4.417 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.318 5.482 6.233 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.716 7.089 6.587 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.442 4.628 3.796 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.691 4.395 4.010 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.819 3.877 5.285 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.782 7.198 5.272 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.416 7.860 4.343 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.028 6.228 3.984 1.00 0.00 H new ATOM 1174 N SER B 56 -6.929 8.163 7.279 1.00 0.00 N ATOM 1175 CA SER B 56 -7.132 9.167 8.297 1.00 0.00 C ATOM 1176 C SER B 56 -8.230 10.101 7.831 1.00 0.00 C ATOM 1177 O SER B 56 -8.105 10.765 6.779 1.00 0.00 O ATOM 1178 CB SER B 56 -5.838 9.915 8.625 1.00 0.00 C ATOM 1179 OG SER B 56 -5.674 11.069 7.834 1.00 0.00 O ATOM 0 H SER B 56 -6.230 8.396 6.573 1.00 0.00 H new ATOM 0 HA SER B 56 -7.437 8.689 9.228 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.840 10.196 9.678 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.988 9.250 8.474 1.00 0.00 H new ATOM 0 HG SER B 56 -4.927 11.600 8.181 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.319 10.113 8.618 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.542 10.886 8.365 1.00 0.00 C ATOM 1187 C PRO B 57 -10.391 12.386 8.554 1.00 0.00 C ATOM 1188 O PRO B 57 -9.343 12.879 8.977 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.514 10.337 9.411 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.635 9.934 10.538 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.415 9.363 9.887 1.00 0.00 C ATOM 0 HA PRO B 57 -10.856 10.778 7.327 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.238 11.092 9.719 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.081 9.490 9.024 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.384 10.787 11.168 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.123 9.198 11.177 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.528 9.503 10.504 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.517 8.292 9.714 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.455 13.096 8.194 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.514 14.540 8.328 1.00 0.00 C ATOM 1201 C GLU B 58 -11.310 14.940 9.787 1.00 0.00 C ATOM 1202 O GLU B 58 -11.512 14.141 10.702 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.858 15.077 7.822 1.00 0.00 C ATOM 1204 CG GLU B 58 -13.372 14.391 6.561 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.295 14.191 5.512 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -11.983 13.020 5.200 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -11.756 15.195 5.011 1.00 0.00 O ATOM 0 H GLU B 58 -12.300 12.682 7.801 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.718 14.974 7.723 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.601 14.965 8.611 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.759 16.145 7.626 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.795 13.423 6.828 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -14.180 14.985 6.135 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.947 16.189 9.994 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.679 16.683 11.329 1.00 0.00 C ATOM 1216 C GLY B 59 -9.219 17.031 11.454 1.00 0.00 C ATOM 1217 O GLY B 59 -8.837 17.923 12.210 1.00 0.00 O ATOM 0 H GLY B 59 -10.831 16.881 9.254 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -11.292 17.561 11.533 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.948 15.928 12.068 1.00 0.00 H new ATOM 1221 N LYS B 60 -8.407 16.322 10.688 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.986 16.581 10.634 1.00 0.00 C ATOM 1223 C LYS B 60 -6.743 17.565 9.514 1.00 0.00 C ATOM 1224 O LYS B 60 -7.496 17.602 8.541 1.00 0.00 O ATOM 1225 CB LYS B 60 -6.184 15.296 10.381 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.761 14.568 11.647 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.879 13.358 11.342 1.00 0.00 C ATOM 1228 CE LYS B 60 -4.310 12.738 12.611 1.00 0.00 C ATOM 1229 NZ LYS B 60 -5.094 13.110 13.820 1.00 0.00 N ATOM 0 H LYS B 60 -8.716 15.555 10.090 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.655 16.983 11.592 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.783 14.621 9.770 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -5.294 15.544 9.803 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.221 15.256 12.298 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.647 14.243 12.192 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.461 12.611 10.802 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.062 13.660 10.687 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.297 11.653 12.509 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -3.276 13.059 12.738 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.851 12.469 14.602 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.870 14.089 14.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -6.110 13.033 13.612 1.00 0.00 H new ATOM 1243 N ALA B 61 -5.709 18.369 9.648 1.00 0.00 N ATOM 1244 CA ALA B 61 -5.378 19.348 8.626 1.00 0.00 C ATOM 1245 C ALA B 61 -4.853 18.667 7.382 1.00 0.00 C ATOM 1246 O ALA B 61 -4.580 19.311 6.373 1.00 0.00 O ATOM 1247 CB ALA B 61 -4.341 20.309 9.146 1.00 0.00 C ATOM 0 H ALA B 61 -5.082 18.366 10.453 1.00 0.00 H new ATOM 0 HA ALA B 61 -6.286 19.894 8.372 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -4.100 21.038 8.372 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -4.731 20.826 10.023 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -3.440 19.759 9.419 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.707 17.363 7.468 1.00 0.00 N ATOM 1254 CA LYS B 62 -4.206 16.598 6.365 1.00 0.00 C ATOM 1255 C LYS B 62 -4.930 15.264 6.261 1.00 0.00 C ATOM 1256 O LYS B 62 -5.283 14.658 7.274 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.709 16.359 6.527 1.00 0.00 C ATOM 1258 CG LYS B 62 -2.332 15.748 7.867 1.00 0.00 C ATOM 1259 CD LYS B 62 -1.713 16.779 8.792 1.00 0.00 C ATOM 1260 CE LYS B 62 -1.432 16.193 10.162 1.00 0.00 C ATOM 1261 NZ LYS B 62 -0.776 17.176 11.062 1.00 0.00 N ATOM 0 H LYS B 62 -4.932 16.815 8.298 1.00 0.00 H new ATOM 0 HA LYS B 62 -4.383 17.164 5.450 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -2.366 15.702 5.728 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -2.183 17.306 6.408 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -3.219 15.322 8.336 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -1.630 14.929 7.710 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.786 17.151 8.356 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -2.384 17.632 8.890 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -2.366 15.857 10.611 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.795 15.315 10.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -0.918 16.889 12.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 0.242 17.211 10.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.193 18.117 10.911 1.00 0.00 H new ATOM 1275 N ILE B 63 -5.149 14.822 5.040 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.802 13.551 4.785 1.00 0.00 C ATOM 1277 C ILE B 63 -4.722 12.478 4.698 1.00 0.00 C ATOM 1278 O ILE B 63 -3.684 12.710 4.090 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.618 13.617 3.475 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.859 14.491 3.674 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -7.017 12.232 3.003 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.696 15.916 3.189 1.00 0.00 C ATOM 0 H ILE B 63 -4.881 15.331 4.197 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.497 13.314 5.590 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.988 14.062 2.705 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.699 14.034 3.151 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -8.113 14.506 4.734 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.590 12.313 2.079 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.122 11.637 2.824 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.627 11.749 3.767 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.619 16.468 3.366 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.878 16.393 3.729 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.473 15.914 2.122 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.926 11.315 5.309 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.867 10.297 5.281 1.00 0.00 C ATOM 1296 C GLN B 64 -4.375 8.889 5.044 1.00 0.00 C ATOM 1297 O GLN B 64 -5.563 8.606 5.139 1.00 0.00 O ATOM 1298 CB GLN B 64 -3.065 10.287 6.581 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.491 11.626 6.991 1.00 0.00 C ATOM 1300 CD GLN B 64 -1.913 11.580 8.387 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -2.453 10.694 9.223 1.00 0.00 O flip ATOM 1302 NE2 GLN B 64 -0.987 12.324 8.711 1.00 0.00 N flip ATOM 0 H GLN B 64 -5.775 11.055 5.811 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.239 10.584 4.437 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.707 9.923 7.383 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.247 9.574 6.480 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.715 11.921 6.285 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -3.271 12.386 6.944 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -0.606 12.987 8.036 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -0.601 12.277 9.654 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.441 8.032 4.675 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.693 6.624 4.453 1.00 0.00 C ATOM 1313 C LEU B 65 -2.500 5.842 4.992 1.00 0.00 C ATOM 1314 O LEU B 65 -1.423 6.401 5.106 1.00 0.00 O ATOM 1315 CB LEU B 65 -3.827 6.329 2.970 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.617 5.074 2.635 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.081 5.409 2.430 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.031 4.386 1.424 1.00 0.00 C ATOM 0 H LEU B 65 -2.470 8.302 4.519 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.619 6.341 4.954 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.305 7.181 2.487 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.829 6.238 2.541 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.549 4.382 3.474 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.632 4.500 2.191 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.485 5.849 3.342 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.180 6.120 1.610 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.609 3.490 1.199 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.063 5.063 0.570 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.997 4.109 1.628 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.679 4.592 5.384 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.547 3.811 5.870 1.00 0.00 C ATOM 1332 C GLN B 66 -1.696 2.339 5.506 1.00 0.00 C ATOM 1333 O GLN B 66 -2.797 1.796 5.496 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.356 3.971 7.384 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.109 2.952 8.217 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.688 2.941 9.673 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.722 1.900 10.326 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.320 4.094 10.203 1.00 0.00 N ATOM 0 H GLN B 66 -3.574 4.102 5.378 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.656 4.199 5.377 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.293 3.898 7.614 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.677 4.971 7.676 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.177 3.161 8.156 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.953 1.960 7.793 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.304 4.937 9.629 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.052 4.141 11.186 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.579 1.713 5.195 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.547 0.305 4.843 1.00 0.00 C ATOM 1349 C LEU B 67 -0.197 -0.529 6.059 1.00 0.00 C ATOM 1350 O LEU B 67 0.931 -0.494 6.531 1.00 0.00 O ATOM 1351 CB LEU B 67 0.499 0.050 3.763 1.00 0.00 C ATOM 1352 CG LEU B 67 0.179 0.596 2.378 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.339 0.316 1.439 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.106 -0.017 1.844 1.00 0.00 C ATOM 0 H LEU B 67 0.335 2.166 5.179 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.533 0.027 4.472 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.444 0.482 4.092 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.652 -1.026 3.681 1.00 0.00 H new ATOM 0 HG LEU B 67 0.032 1.674 2.446 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.108 0.708 0.448 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.239 0.799 1.819 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.504 -0.760 1.375 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.317 0.386 0.854 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -0.993 -1.099 1.779 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -1.930 0.222 2.516 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.152 -1.273 6.568 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.907 -2.113 7.725 1.00 0.00 C ATOM 1368 C VAL B 68 -0.573 -3.517 7.255 1.00 0.00 C ATOM 1369 O VAL B 68 -1.428 -4.236 6.753 1.00 0.00 O ATOM 1370 CB VAL B 68 -2.116 -2.134 8.669 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.727 -2.698 10.021 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.680 -0.734 8.818 1.00 0.00 C ATOM 0 H VAL B 68 -2.103 -1.316 6.203 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.067 -1.703 8.286 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.884 -2.778 8.241 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.598 -2.705 10.677 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.358 -3.716 9.898 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.945 -2.079 10.462 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.538 -0.757 9.490 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.915 -0.075 9.229 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.993 -0.362 7.842 1.00 0.00 H new ATOM 1382 N LEU B 69 0.677 -3.897 7.403 1.00 0.00 N ATOM 1383 CA LEU B 69 1.134 -5.195 6.940 1.00 0.00 C ATOM 1384 C LEU B 69 1.042 -6.249 8.024 1.00 0.00 C ATOM 1385 O LEU B 69 1.065 -5.939 9.213 1.00 0.00 O ATOM 1386 CB LEU B 69 2.577 -5.087 6.463 1.00 0.00 C ATOM 1387 CG LEU B 69 2.934 -3.748 5.834 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.404 -3.688 5.508 1.00 0.00 C ATOM 1389 CD2 LEU B 69 2.116 -3.512 4.585 1.00 0.00 C ATOM 0 H LEU B 69 1.399 -3.326 7.841 1.00 0.00 H new ATOM 0 HA LEU B 69 0.484 -5.501 6.120 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.241 -5.265 7.309 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.767 -5.878 5.737 1.00 0.00 H new ATOM 0 HG LEU B 69 2.705 -2.964 6.556 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.638 -2.723 5.059 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.985 -3.814 6.422 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.654 -4.484 4.807 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.386 -2.550 4.150 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.316 -4.305 3.864 1.00 0.00 H new ATOM 0 HD23 LEU B 69 1.056 -3.511 4.839 1.00 0.00 H new ATOM 1401 N HIS B 70 0.956 -7.507 7.604 1.00 0.00 N ATOM 1402 CA HIS B 70 0.898 -8.616 8.548 1.00 0.00 C ATOM 1403 C HIS B 70 2.305 -8.923 9.035 1.00 0.00 C ATOM 1404 O HIS B 70 2.528 -9.837 9.821 1.00 0.00 O ATOM 1405 CB HIS B 70 0.258 -9.872 7.934 1.00 0.00 C ATOM 1406 CG HIS B 70 0.374 -9.970 6.443 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.628 -9.601 5.579 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.397 -10.403 5.659 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.192 -9.814 4.336 1.00 0.00 C ATOM 1410 NE2 HIS B 70 1.023 -10.308 4.339 1.00 0.00 N ATOM 0 H HIS B 70 0.925 -7.782 6.622 1.00 0.00 H new ATOM 0 HA HIS B 70 0.266 -8.319 9.385 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.720 -10.753 8.379 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.798 -9.894 8.205 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.350 -10.764 6.016 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.765 -9.607 3.444 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.579 -10.569 3.525 1.00 0.00 H new ATOM 1418 N ALA B 71 3.246 -8.132 8.536 1.00 0.00 N ATOM 1419 CA ALA B 71 4.646 -8.253 8.892 1.00 0.00 C ATOM 1420 C ALA B 71 4.920 -7.533 10.206 1.00 0.00 C ATOM 1421 O ALA B 71 6.011 -7.627 10.764 1.00 0.00 O ATOM 1422 CB ALA B 71 5.504 -7.671 7.776 1.00 0.00 C ATOM 0 H ALA B 71 3.054 -7.385 7.869 1.00 0.00 H new ATOM 0 HA ALA B 71 4.896 -9.306 9.022 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.557 -7.761 8.042 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.316 -8.215 6.851 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.254 -6.619 7.636 1.00 0.00 H new ATOM 1428 N GLY B 72 3.913 -6.814 10.692 1.00 0.00 N ATOM 1429 CA GLY B 72 4.051 -6.076 11.931 1.00 0.00 C ATOM 1430 C GLY B 72 4.511 -4.656 11.689 1.00 0.00 C ATOM 1431 O GLY B 72 4.978 -3.980 12.604 1.00 0.00 O ATOM 0 H GLY B 72 3.000 -6.730 10.246 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.096 -6.064 12.456 1.00 0.00 H new ATOM 0 HA3 GLY B 72 4.765 -6.584 12.579 1.00 0.00 H new ATOM 1435 N ASP B 73 4.365 -4.205 10.451 1.00 0.00 N ATOM 1436 CA ASP B 73 4.779 -2.858 10.069 1.00 0.00 C ATOM 1437 C ASP B 73 3.629 -2.108 9.407 1.00 0.00 C ATOM 1438 O ASP B 73 2.674 -2.720 8.923 1.00 0.00 O ATOM 1439 CB ASP B 73 5.984 -2.923 9.122 1.00 0.00 C ATOM 1440 CG ASP B 73 6.415 -1.555 8.626 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.585 -0.645 9.466 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.566 -1.389 7.399 1.00 0.00 O ATOM 0 H ASP B 73 3.962 -4.752 9.690 1.00 0.00 H new ATOM 0 HA ASP B 73 5.067 -2.318 10.971 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.819 -3.398 9.636 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.736 -3.553 8.268 1.00 0.00 H new ATOM 1447 N THR B 74 3.721 -0.787 9.399 1.00 0.00 N ATOM 1448 CA THR B 74 2.705 0.053 8.792 1.00 0.00 C ATOM 1449 C THR B 74 3.367 1.147 7.955 1.00 0.00 C ATOM 1450 O THR B 74 4.267 1.841 8.426 1.00 0.00 O ATOM 1451 CB THR B 74 1.807 0.711 9.859 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.613 1.307 10.884 1.00 0.00 O ATOM 1453 CG2 THR B 74 0.863 -0.303 10.485 1.00 0.00 C ATOM 0 H THR B 74 4.498 -0.271 9.811 1.00 0.00 H new ATOM 0 HA THR B 74 2.085 -0.582 8.159 1.00 0.00 H new ATOM 0 HB THR B 74 1.213 1.480 9.366 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.033 1.723 11.555 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.243 0.191 11.233 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.226 -0.733 9.712 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.442 -1.095 10.959 1.00 0.00 H new ATOM 1461 N THR B 75 2.907 1.306 6.727 1.00 0.00 N ATOM 1462 CA THR B 75 3.446 2.308 5.823 1.00 0.00 C ATOM 1463 C THR B 75 2.446 3.446 5.634 1.00 0.00 C ATOM 1464 O THR B 75 1.474 3.308 4.895 1.00 0.00 O ATOM 1465 CB THR B 75 3.770 1.671 4.459 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.342 0.370 4.658 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.732 2.542 3.666 1.00 0.00 C ATOM 0 H THR B 75 2.152 0.747 6.329 1.00 0.00 H new ATOM 0 HA THR B 75 4.361 2.710 6.258 1.00 0.00 H new ATOM 0 HB THR B 75 2.844 1.581 3.891 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.546 -0.034 3.789 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.944 2.069 2.707 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.282 3.520 3.497 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.660 2.661 4.225 1.00 0.00 H new ATOM 1475 N ASN B 76 2.678 4.568 6.297 1.00 0.00 N ATOM 1476 CA ASN B 76 1.760 5.701 6.207 1.00 0.00 C ATOM 1477 C ASN B 76 2.015 6.536 4.959 1.00 0.00 C ATOM 1478 O ASN B 76 3.155 6.729 4.537 1.00 0.00 O ATOM 1479 CB ASN B 76 1.853 6.602 7.446 1.00 0.00 C ATOM 1480 CG ASN B 76 1.362 5.931 8.718 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.419 4.711 8.859 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.872 6.729 9.655 1.00 0.00 N ATOM 0 H ASN B 76 3.486 4.722 6.900 1.00 0.00 H new ATOM 0 HA ASN B 76 0.757 5.279 6.149 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.889 6.912 7.584 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.270 7.507 7.273 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.526 6.336 10.530 1.00 0.00 H new ATOM 0 HD22 ASN B 76 0.841 7.737 9.502 1.00 0.00 H new ATOM 1489 N PHE B 77 0.927 7.017 4.383 1.00 0.00 N ATOM 1490 CA PHE B 77 0.946 7.849 3.197 1.00 0.00 C ATOM 1491 C PHE B 77 0.159 9.124 3.467 1.00 0.00 C ATOM 1492 O PHE B 77 -1.050 9.086 3.705 1.00 0.00 O ATOM 1493 CB PHE B 77 0.340 7.101 2.009 1.00 0.00 C ATOM 1494 CG PHE B 77 1.255 6.070 1.420 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.319 6.452 0.622 1.00 0.00 C ATOM 1496 CD2 PHE B 77 1.052 4.722 1.663 1.00 0.00 C ATOM 1497 CE1 PHE B 77 3.164 5.509 0.076 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.896 3.774 1.118 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.953 4.169 0.323 1.00 0.00 C ATOM 0 H PHE B 77 -0.013 6.835 4.736 1.00 0.00 H new ATOM 0 HA PHE B 77 1.978 8.101 2.953 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.583 6.616 2.328 1.00 0.00 H new ATOM 0 HB3 PHE B 77 0.071 7.821 1.236 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.489 7.500 0.425 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.226 4.409 2.284 1.00 0.00 H new ATOM 0 HE1 PHE B 77 3.991 5.820 -0.545 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.729 2.725 1.314 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.614 3.430 -0.105 1.00 0.00 H new ATOM 1509 N HIS B 78 0.856 10.239 3.448 1.00 0.00 N ATOM 1510 CA HIS B 78 0.257 11.536 3.708 1.00 0.00 C ATOM 1511 C HIS B 78 -0.306 12.140 2.428 1.00 0.00 C ATOM 1512 O HIS B 78 0.444 12.525 1.542 1.00 0.00 O ATOM 1513 CB HIS B 78 1.325 12.454 4.298 1.00 0.00 C ATOM 1514 CG HIS B 78 0.836 13.776 4.803 1.00 0.00 C ATOM 1515 ND1 HIS B 78 0.999 14.194 6.101 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.248 14.809 4.148 1.00 0.00 C ATOM 1517 CE1 HIS B 78 0.525 15.438 6.195 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.057 15.861 5.037 1.00 0.00 N ATOM 0 H HIS B 78 1.856 10.275 3.252 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.568 11.420 4.411 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.815 11.931 5.119 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.084 12.634 3.537 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -0.027 14.813 3.104 1.00 0.00 H new ATOM 0 HE1 HIS B 78 0.525 16.023 7.103 1.00 0.00 H new ATOM 0 HE2 HIS B 78 -0.359 16.770 4.835 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.620 12.223 2.337 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.268 12.792 1.166 1.00 0.00 C ATOM 1528 C PHE B 79 -2.268 14.318 1.270 1.00 0.00 C ATOM 1529 O PHE B 79 -3.167 14.909 1.872 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.700 12.272 1.049 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.812 10.932 0.382 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.507 9.763 1.064 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -4.232 10.843 -0.929 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.622 8.531 0.441 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.346 9.619 -1.552 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.044 8.462 -0.873 1.00 0.00 C ATOM 0 H PHE B 79 -2.263 11.903 3.061 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.717 12.494 0.274 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.134 12.207 2.047 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.293 12.995 0.490 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.177 9.814 2.091 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -4.474 11.743 -1.474 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -3.382 7.627 0.981 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.674 9.568 -2.580 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.136 7.505 -1.364 1.00 0.00 H new ATOM 1546 N SER B 80 -1.256 14.945 0.692 1.00 0.00 N ATOM 1547 CA SER B 80 -1.117 16.394 0.742 1.00 0.00 C ATOM 1548 C SER B 80 -1.681 17.085 -0.504 1.00 0.00 C ATOM 1549 O SER B 80 -1.573 18.304 -0.642 1.00 0.00 O ATOM 1550 CB SER B 80 0.360 16.751 0.938 1.00 0.00 C ATOM 1551 OG SER B 80 1.204 15.761 0.367 1.00 0.00 O ATOM 0 H SER B 80 -0.513 14.470 0.179 1.00 0.00 H new ATOM 0 HA SER B 80 -1.704 16.758 1.585 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.568 17.718 0.481 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.576 16.848 2.002 1.00 0.00 H new ATOM 0 HG SER B 80 2.119 16.106 0.307 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.284 16.320 -1.411 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.858 16.906 -2.623 1.00 0.00 C ATOM 1559 C ASN B 81 -4.241 17.482 -2.330 1.00 0.00 C ATOM 1560 O ASN B 81 -5.251 16.801 -2.453 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.939 15.871 -3.753 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.318 16.482 -5.098 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.777 15.783 -6.005 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -3.126 17.784 -5.249 1.00 0.00 N ATOM 0 H ASN B 81 -2.388 15.308 -1.334 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.203 17.713 -2.951 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -1.976 15.369 -3.847 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.672 15.109 -3.488 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -3.359 18.235 -6.134 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.745 18.336 -4.481 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.257 18.756 -1.973 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.481 19.490 -1.630 1.00 0.00 C ATOM 1573 C GLU B 82 -6.638 19.235 -2.604 1.00 0.00 C ATOM 1574 O GLU B 82 -7.791 19.096 -2.187 1.00 0.00 O ATOM 1575 CB GLU B 82 -5.194 21.002 -1.574 1.00 0.00 C ATOM 1576 CG GLU B 82 -3.879 21.437 -2.225 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.732 20.975 -3.666 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -4.571 21.354 -4.510 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -2.790 20.201 -3.944 1.00 0.00 O ATOM 0 H GLU B 82 -3.412 19.324 -1.910 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.793 19.120 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -6.014 21.530 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -5.186 21.316 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -3.809 22.524 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -3.047 21.046 -1.640 1.00 0.00 H new ATOM 1586 N SER B 83 -6.323 19.162 -3.886 1.00 0.00 N ATOM 1587 CA SER B 83 -7.321 18.963 -4.925 1.00 0.00 C ATOM 1588 C SER B 83 -8.149 17.689 -4.749 1.00 0.00 C ATOM 1589 O SER B 83 -9.380 17.753 -4.627 1.00 0.00 O ATOM 1590 CB SER B 83 -6.636 18.956 -6.294 1.00 0.00 C ATOM 1591 OG SER B 83 -5.276 19.352 -6.192 1.00 0.00 O ATOM 0 H SER B 83 -5.368 19.239 -4.237 1.00 0.00 H new ATOM 0 HA SER B 83 -8.023 19.793 -4.848 1.00 0.00 H new ATOM 0 HB2 SER B 83 -6.695 17.958 -6.727 1.00 0.00 H new ATOM 0 HB3 SER B 83 -7.163 19.629 -6.970 1.00 0.00 H new ATOM 0 HG SER B 83 -5.213 20.172 -5.659 1.00 0.00 H new ATOM 1597 N THR B 84 -7.508 16.532 -4.735 1.00 0.00 N ATOM 1598 CA THR B 84 -8.259 15.292 -4.653 1.00 0.00 C ATOM 1599 C THR B 84 -7.826 14.335 -3.539 1.00 0.00 C ATOM 1600 O THR B 84 -8.321 13.219 -3.498 1.00 0.00 O ATOM 1601 CB THR B 84 -8.198 14.592 -6.020 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.847 14.568 -6.504 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.067 15.346 -7.016 1.00 0.00 C ATOM 0 H THR B 84 -6.494 16.426 -4.778 1.00 0.00 H new ATOM 0 HA THR B 84 -9.280 15.567 -4.388 1.00 0.00 H new ATOM 0 HB THR B 84 -8.560 13.570 -5.908 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.232 14.438 -5.752 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.024 14.850 -7.985 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.098 15.361 -6.662 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.703 16.369 -7.115 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.969 14.780 -2.619 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.463 13.924 -1.525 1.00 0.00 C ATOM 1613 C ALA B 85 -7.546 13.084 -0.852 1.00 0.00 C ATOM 1614 O ALA B 85 -7.349 11.898 -0.626 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.756 14.761 -0.470 1.00 0.00 C ATOM 0 H ALA B 85 -6.604 15.732 -2.603 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.763 13.233 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.392 14.111 0.326 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.915 15.285 -0.925 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.454 15.488 -0.054 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.673 13.697 -0.516 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.768 12.973 0.133 1.00 0.00 C ATOM 1623 C VAL B 86 -10.267 11.829 -0.758 1.00 0.00 C ATOM 1624 O VAL B 86 -10.290 10.672 -0.344 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.932 13.936 0.483 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.283 13.231 0.463 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.702 14.577 1.838 1.00 0.00 C ATOM 0 H VAL B 86 -8.857 14.687 -0.679 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.387 12.544 1.060 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.951 14.710 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -13.069 13.943 0.714 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.466 12.824 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.281 12.421 1.192 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.529 15.250 2.067 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.642 13.802 2.602 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.769 15.141 1.820 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.618 12.164 -1.995 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.118 11.186 -2.962 1.00 0.00 C ATOM 1639 C LYS B 87 -10.023 10.186 -3.307 1.00 0.00 C ATOM 1640 O LYS B 87 -10.287 9.008 -3.526 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.589 11.917 -4.226 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.437 13.151 -3.943 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.814 14.406 -4.540 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.511 15.669 -4.052 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.979 16.899 -4.710 1.00 0.00 N ATOM 0 H LYS B 87 -10.565 13.116 -2.357 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.957 10.643 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.717 12.213 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.165 11.225 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.436 13.009 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.550 13.277 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.757 14.449 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.869 14.357 -5.628 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.581 15.589 -4.246 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.388 15.755 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.549 17.720 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.991 17.047 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -12.026 16.788 -5.743 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.795 10.676 -3.362 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.644 9.845 -3.645 1.00 0.00 C ATOM 1661 C GLU B 88 -7.458 8.851 -2.507 1.00 0.00 C ATOM 1662 O GLU B 88 -7.300 7.658 -2.741 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.408 10.723 -3.848 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.209 11.130 -5.300 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.153 12.201 -5.479 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -5.302 13.289 -4.895 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -4.188 11.974 -6.240 1.00 0.00 O ATOM 0 H GLU B 88 -8.572 11.660 -3.211 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.798 9.282 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.499 11.618 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.525 10.186 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.929 10.252 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.155 11.491 -5.703 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.518 9.356 -1.273 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.408 8.523 -0.078 1.00 0.00 C ATOM 1676 C ARG B 89 -8.442 7.426 -0.159 1.00 0.00 C ATOM 1677 O ARG B 89 -8.161 6.249 0.054 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.686 9.356 1.177 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.605 8.575 2.475 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.472 9.216 3.550 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.804 9.569 3.045 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.556 10.558 3.535 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.127 11.292 4.554 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.749 10.808 3.009 1.00 0.00 N ATOM 0 H ARG B 89 -7.644 10.349 -1.076 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.401 8.109 -0.022 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -6.973 10.180 1.217 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.679 9.797 1.093 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.928 7.548 2.307 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.570 8.532 2.814 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.573 8.530 4.391 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.978 10.112 3.927 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.180 9.024 2.269 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.215 11.103 4.970 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.709 12.045 4.921 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.091 10.245 2.231 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.323 11.563 3.383 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.643 7.855 -0.486 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.775 6.977 -0.618 1.00 0.00 C ATOM 1700 C ASP B 90 -10.584 5.948 -1.724 1.00 0.00 C ATOM 1701 O ASP B 90 -10.821 4.771 -1.499 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.037 7.815 -0.807 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.687 8.105 0.530 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -12.625 9.264 0.993 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -13.216 7.152 1.145 1.00 0.00 O ATOM 0 H ASP B 90 -9.858 8.835 -0.669 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.878 6.394 0.297 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.788 8.751 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.739 7.286 -1.452 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.114 6.370 -2.890 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.896 5.445 -4.003 1.00 0.00 C ATOM 1712 C ALA B 91 -8.783 4.450 -3.678 1.00 0.00 C ATOM 1713 O ALA B 91 -8.897 3.273 -4.007 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.580 6.208 -5.280 1.00 0.00 C ATOM 0 H ALA B 91 -9.876 7.341 -3.093 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.816 4.881 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.421 5.502 -6.096 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.413 6.866 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.679 6.803 -5.135 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.707 4.920 -3.043 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.615 4.026 -2.651 1.00 0.00 C ATOM 1722 C VAL B 92 -7.176 3.022 -1.651 1.00 0.00 C ATOM 1723 O VAL B 92 -6.917 1.826 -1.738 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.431 4.780 -2.009 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.285 3.824 -1.728 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.950 5.903 -2.906 1.00 0.00 C ATOM 0 H VAL B 92 -7.569 5.899 -2.792 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.230 3.537 -3.545 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.779 5.210 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.458 4.371 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.621 3.044 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.952 3.370 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.116 6.417 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.625 5.492 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.764 6.609 -3.073 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.977 3.544 -0.721 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.639 2.732 0.295 1.00 0.00 C ATOM 1738 C LYS B 93 -9.517 1.690 -0.378 1.00 0.00 C ATOM 1739 O LYS B 93 -9.378 0.495 -0.141 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.511 3.625 1.187 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.439 2.854 2.119 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.604 3.714 2.596 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.817 3.591 1.679 1.00 0.00 C ATOM 1744 NZ LYS B 93 -12.790 4.578 0.568 1.00 0.00 N ATOM 0 H LYS B 93 -8.183 4.541 -0.653 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.882 2.237 0.904 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.864 4.266 1.785 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.110 4.279 0.554 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.824 1.974 1.603 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.874 2.497 2.980 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -11.883 3.419 3.608 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.290 4.757 2.644 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.856 2.583 1.265 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -13.726 3.731 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.569 4.379 -0.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -12.900 5.538 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -11.883 4.509 0.064 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.410 2.180 -1.226 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.337 1.349 -1.978 1.00 0.00 C ATOM 1760 C ASP B 94 -10.610 0.268 -2.752 1.00 0.00 C ATOM 1761 O ASP B 94 -10.904 -0.911 -2.610 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.147 2.228 -2.944 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.451 2.723 -2.348 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -13.465 3.833 -1.774 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -14.462 2.006 -2.458 1.00 0.00 O ATOM 0 H ASP B 94 -10.512 3.178 -1.413 1.00 0.00 H new ATOM 0 HA ASP B 94 -12.007 0.861 -1.271 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.542 3.085 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.361 1.660 -3.850 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.637 0.678 -3.543 1.00 0.00 N ATOM 1771 CA LEU B 95 -8.865 -0.245 -4.355 1.00 0.00 C ATOM 1772 C LEU B 95 -8.120 -1.253 -3.489 1.00 0.00 C ATOM 1773 O LEU B 95 -8.081 -2.424 -3.819 1.00 0.00 O ATOM 1774 CB LEU B 95 -7.883 0.533 -5.236 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.436 -0.180 -6.511 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.625 -0.444 -7.421 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.382 0.641 -7.237 1.00 0.00 C ATOM 0 H LEU B 95 -9.360 1.655 -3.641 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.554 -0.800 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.343 1.481 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.999 0.769 -4.644 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.997 -1.138 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.286 -0.952 -8.324 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.349 -1.071 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.093 0.502 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.074 0.119 -8.143 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.797 1.613 -7.502 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.518 0.780 -6.587 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.556 -0.809 -2.375 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.823 -1.709 -1.487 1.00 0.00 C ATOM 1791 C LEU B 96 -7.773 -2.655 -0.764 1.00 0.00 C ATOM 1792 O LEU B 96 -7.541 -3.850 -0.738 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.009 -0.921 -0.461 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.703 -0.325 -0.980 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.190 0.740 -0.026 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.659 -1.411 -1.163 1.00 0.00 C ATOM 0 H LEU B 96 -7.589 0.162 -2.063 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.143 -2.295 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.629 -0.113 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.781 -1.578 0.378 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.897 0.137 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.258 1.155 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.931 1.534 0.065 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.012 0.296 0.953 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.734 -0.968 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.470 -1.899 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.022 -2.147 -1.880 1.00 0.00 H new ATOM 1808 N GLN B 97 -8.852 -2.128 -0.193 1.00 0.00 N ATOM 1809 CA GLN B 97 -9.823 -2.970 0.513 1.00 0.00 C ATOM 1810 C GLN B 97 -10.469 -3.947 -0.468 1.00 0.00 C ATOM 1811 O GLN B 97 -11.077 -4.943 -0.083 1.00 0.00 O ATOM 1812 CB GLN B 97 -10.874 -2.118 1.239 1.00 0.00 C ATOM 1813 CG GLN B 97 -11.887 -1.431 0.343 1.00 0.00 C ATOM 1814 CD GLN B 97 -12.774 -0.477 1.124 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -13.208 0.548 0.610 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -13.041 -0.808 2.380 1.00 0.00 N ATOM 0 H GLN B 97 -9.078 -1.133 -0.202 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.300 -3.545 1.277 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.410 -2.755 1.943 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.358 -1.358 1.826 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -11.366 -0.883 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -12.505 -2.182 -0.149 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -12.661 -1.670 2.772 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.626 -0.201 2.954 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.337 -3.621 -1.740 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.833 -4.435 -2.832 1.00 0.00 C ATOM 1827 C GLN B 98 -9.792 -5.459 -3.261 1.00 0.00 C ATOM 1828 O GLN B 98 -10.072 -6.648 -3.420 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.141 -3.519 -4.019 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.570 -3.017 -4.054 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.372 -3.630 -5.182 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -13.109 -4.758 -5.609 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.351 -2.889 -5.675 1.00 0.00 N ATOM 0 H GLN B 98 -9.873 -2.767 -2.048 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.728 -4.963 -2.502 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.467 -2.663 -3.989 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.933 -4.057 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -13.054 -3.242 -3.104 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.568 -1.932 -4.161 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.532 -1.962 -5.290 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -14.925 -3.245 -6.440 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.594 -4.959 -3.446 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.455 -5.727 -3.915 1.00 0.00 C ATOM 1844 C LEU B 99 -6.778 -6.579 -2.841 1.00 0.00 C ATOM 1845 O LEU B 99 -6.526 -7.760 -3.065 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.466 -4.733 -4.510 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.667 -4.469 -6.002 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.932 -3.207 -6.424 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.206 -5.661 -6.827 1.00 0.00 C ATOM 0 H LEU B 99 -8.373 -3.979 -3.271 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.811 -6.449 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.547 -3.789 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.454 -5.105 -4.351 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.732 -4.323 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -6.086 -3.035 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.315 -2.357 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.866 -3.323 -6.226 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.358 -5.451 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.148 -5.844 -6.642 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.781 -6.543 -6.545 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.511 -5.990 -1.685 1.00 0.00 N ATOM 1862 CA LEU B 100 -5.812 -6.678 -0.596 1.00 0.00 C ATOM 1863 C LEU B 100 -6.397 -8.054 -0.254 1.00 0.00 C ATOM 1864 O LEU B 100 -5.661 -9.035 -0.262 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.728 -5.794 0.649 1.00 0.00 C ATOM 1866 CG LEU B 100 -4.701 -4.676 0.518 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.547 -3.893 1.811 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.368 -5.242 0.096 1.00 0.00 C ATOM 0 H LEU B 100 -6.769 -5.027 -1.470 1.00 0.00 H new ATOM 0 HA LEU B 100 -4.804 -6.867 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.708 -5.359 0.845 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.476 -6.412 1.510 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.062 -3.987 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -3.806 -3.106 1.674 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.504 -3.447 2.082 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.221 -4.564 2.606 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.642 -4.434 0.006 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.024 -5.957 0.843 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.474 -5.744 -0.866 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.714 -8.171 0.031 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.334 -9.463 0.378 1.00 0.00 C ATOM 1882 C PRO B 101 -8.150 -10.534 -0.699 1.00 0.00 C ATOM 1883 O PRO B 101 -8.296 -11.723 -0.427 1.00 0.00 O ATOM 1884 CB PRO B 101 -9.822 -9.129 0.541 1.00 0.00 C ATOM 1885 CG PRO B 101 -10.002 -7.809 -0.121 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.703 -7.082 0.060 1.00 0.00 C ATOM 0 HA PRO B 101 -7.874 -9.885 1.271 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.449 -9.890 0.077 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.102 -9.083 1.593 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.238 -7.930 -1.178 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -10.826 -7.255 0.328 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.531 -6.358 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.674 -6.534 1.002 1.00 0.00 H new ATOM 1894 N LYS B 102 -7.825 -10.113 -1.916 1.00 0.00 N ATOM 1895 CA LYS B 102 -7.628 -11.047 -3.016 1.00 0.00 C ATOM 1896 C LYS B 102 -6.187 -11.550 -3.065 1.00 0.00 C ATOM 1897 O LYS B 102 -5.864 -12.457 -3.830 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.005 -10.393 -4.351 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.495 -10.117 -4.497 1.00 0.00 C ATOM 1900 CD LYS B 102 -9.885 -9.885 -5.950 1.00 0.00 C ATOM 1901 CE LYS B 102 -9.708 -8.431 -6.363 1.00 0.00 C ATOM 1902 NZ LYS B 102 -10.774 -7.556 -5.798 1.00 0.00 N ATOM 0 H LYS B 102 -7.693 -9.133 -2.165 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.280 -11.903 -2.845 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.459 -9.455 -4.453 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.683 -11.040 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.062 -10.958 -4.098 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.763 -9.242 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.278 -10.521 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.924 -10.180 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.733 -8.076 -6.030 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.719 -8.359 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -10.729 -6.619 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -11.705 -7.982 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -10.633 -7.455 -4.773 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.321 -10.953 -2.251 1.00 0.00 N ATOM 1917 CA PHE B 103 -3.916 -11.345 -2.210 1.00 0.00 C ATOM 1918 C PHE B 103 -3.480 -11.704 -0.789 1.00 0.00 C ATOM 1919 O PHE B 103 -2.355 -12.157 -0.577 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.025 -10.214 -2.740 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.217 -9.901 -4.198 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -4.138 -8.947 -4.596 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -2.470 -10.550 -5.169 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -4.314 -8.647 -5.931 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -2.642 -10.254 -6.509 1.00 0.00 C ATOM 1926 CZ PHE B 103 -3.565 -9.300 -6.889 1.00 0.00 C ATOM 0 H PHE B 103 -5.567 -10.197 -1.612 1.00 0.00 H new ATOM 0 HA PHE B 103 -3.805 -12.225 -2.844 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.220 -9.312 -2.159 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -1.982 -10.482 -2.573 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.726 -8.431 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.745 -11.295 -4.876 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -5.038 -7.902 -6.226 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -2.056 -10.768 -7.256 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.701 -9.065 -7.934 1.00 0.00 H new