USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 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 53 GLN : amide:sc= -1.6! C(o=-2!,f=-2.3!) USER MOD Set 1.2: B 97 GLN : amide:sc= -0.352 X(o=-2,f=-2.3) USER MOD Set 2.1: B 13 LYS NZ :NH3+ 141:sc= 0.664! (180deg=-3.14!) USER MOD Set 2.2: B 81 ASN : amide:sc= -1.63! C(o=1.6!,f=-9!) USER MOD Set 2.3: B 83 SER OG : rot -87:sc= 1.29 USER MOD Set 2.4: B 84 THR OG1 : rot 34:sc= 1.3 USER MOD Set 3.1: B 66 GLN : amide:sc= -2.53 K(o=-7.4,f=-12!) USER MOD Set 3.2: B 76 ASN : amide:sc= -4.91! C(o=-7.4!,f=-8!) USER MOD Set 4.1: B 56 SER OG : rot 120:sc= -0.215 USER MOD Set 4.2: B 62 LYS NZ :NH3+ -121:sc= -2.16! (180deg=-0.407!) USER MOD Set 4.3: B 64 GLN : amide:sc= -7.3! C(o=-9.7!,f=-16!) USER MOD Set 5.1: B 45 HIS : no HE2:sc= -2.63! C(o=-2.6!,f=-5.6!) USER MOD Set 5.2: B 75 THR OG1 : rot 170:sc= 0 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -161:sc= 1.66 (180deg=0.549!) USER MOD Single : B 17 GLN :FLIP amide:sc= -1.13 F(o=-2.3!,f=-1.1) USER MOD Single : B 18 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.08) USER MOD Single : B 19 LYS NZ :NH3+ 166:sc=-0.00626 (180deg=-0.125) USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -118:sc= -2.2 (180deg=-5.81!) USER MOD Single : B 38 LYS NZ :NH3+ 155:sc= 2.16 (180deg=0.257!) USER MOD Single : B 42 THR OG1 : rot 79:sc= -0.719 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -154:sc= -0.252 (180deg=-1.01) USER MOD Single : B 47 TYR OH : rot -46:sc= 1.16 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 81:sc= -3.69! USER MOD Single : B 54 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.111) USER MOD Single : B 60 LYS NZ :NH3+ 167:sc= 2.92 (180deg=1.68!) USER MOD Single : B 70 HIS : no HD1:sc= -6.06! C(o=-6.1!,f=-10!) USER MOD Single : B 74 THR OG1 : rot 48:sc= 0.00441 USER MOD Single : B 78 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-5.1!) USER MOD Single : B 80 SER OG : rot 48:sc= 2.03 USER MOD Single : B 87 LYS NZ :NH3+ -169:sc= 1.31 (180deg=1.1) USER MOD Single : B 93 LYS NZ :NH3+ 175:sc= 1.88 (180deg=1.58) USER MOD Single : B 98 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.86) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.598 12.569 12.151 1.00 0.00 N ATOM 102 CA GLU A 399 0.294 12.605 12.842 1.00 0.00 C ATOM 103 C GLU A 399 -0.594 11.493 12.329 1.00 0.00 C ATOM 104 O GLU A 399 -1.301 11.669 11.345 1.00 0.00 O ATOM 105 CB GLU A 399 -0.415 13.942 12.628 1.00 0.00 C ATOM 106 CG GLU A 399 -1.602 14.130 13.548 1.00 0.00 C ATOM 107 CD GLU A 399 -2.524 15.253 13.119 1.00 0.00 C ATOM 108 OE1 GLU A 399 -2.206 15.958 12.137 1.00 0.00 O ATOM 109 OE2 GLU A 399 -3.587 15.410 13.755 1.00 0.00 O ATOM 0 HA GLU A 399 0.483 12.475 13.908 1.00 0.00 H new ATOM 0 HB2 GLU A 399 0.295 14.754 12.787 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.749 14.009 11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -2.170 13.200 13.591 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -1.242 14.331 14.557 1.00 0.00 H new ATOM 116 N ASP A 400 -0.572 10.349 12.991 1.00 0.00 N ATOM 117 CA ASP A 400 -1.349 9.210 12.527 1.00 0.00 C ATOM 118 C ASP A 400 -1.889 8.393 13.689 1.00 0.00 C ATOM 119 O ASP A 400 -1.246 7.454 14.151 1.00 0.00 O ATOM 120 CB ASP A 400 -0.470 8.335 11.642 1.00 0.00 C ATOM 121 CG ASP A 400 0.076 9.079 10.435 1.00 0.00 C ATOM 122 OD1 ASP A 400 0.976 9.933 10.608 1.00 0.00 O ATOM 123 OD2 ASP A 400 -0.396 8.817 9.313 1.00 0.00 O ATOM 0 H ASP A 400 -0.032 10.184 13.841 1.00 0.00 H new ATOM 0 HA ASP A 400 -2.202 9.581 11.959 1.00 0.00 H new ATOM 0 HB2 ASP A 400 0.361 7.949 12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -1.047 7.475 11.302 1.00 0.00 H new ATOM 128 N ASP A 401 -3.075 8.750 14.151 1.00 0.00 N ATOM 129 CA ASP A 401 -3.685 8.060 15.293 1.00 0.00 C ATOM 130 C ASP A 401 -5.184 7.813 15.129 1.00 0.00 C ATOM 131 O ASP A 401 -5.647 6.695 15.347 1.00 0.00 O ATOM 132 CB ASP A 401 -3.425 8.852 16.578 1.00 0.00 C ATOM 133 CG ASP A 401 -3.268 10.339 16.316 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.235 10.967 15.830 1.00 0.00 O ATOM 135 OD2 ASP A 401 -2.169 10.877 16.566 1.00 0.00 O ATOM 0 H ASP A 401 -3.637 9.507 13.762 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.215 7.078 15.349 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -4.249 8.693 17.273 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.524 8.473 17.060 1.00 0.00 H new ATOM 140 N ASP A 402 -5.943 8.836 14.734 1.00 0.00 N ATOM 141 CA ASP A 402 -7.401 8.707 14.564 1.00 0.00 C ATOM 142 C ASP A 402 -7.741 7.925 13.301 1.00 0.00 C ATOM 143 O ASP A 402 -8.854 7.996 12.775 1.00 0.00 O ATOM 144 CB ASP A 402 -8.076 10.082 14.522 1.00 0.00 C ATOM 145 CG ASP A 402 -7.402 11.042 13.566 1.00 0.00 C ATOM 146 OD1 ASP A 402 -7.271 12.232 13.923 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.972 10.610 12.475 1.00 0.00 O ATOM 0 H ASP A 402 -5.578 9.765 14.524 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.780 8.158 15.426 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -9.119 9.960 14.230 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -8.073 10.513 15.523 1.00 0.00 H new ATOM 152 N PHE A 403 -6.765 7.168 12.846 1.00 0.00 N ATOM 153 CA PHE A 403 -6.871 6.343 11.679 1.00 0.00 C ATOM 154 C PHE A 403 -8.065 5.403 11.772 1.00 0.00 C ATOM 155 O PHE A 403 -8.264 4.733 12.782 1.00 0.00 O ATOM 156 CB PHE A 403 -5.600 5.546 11.570 1.00 0.00 C ATOM 157 CG PHE A 403 -4.708 5.972 10.467 1.00 0.00 C ATOM 158 CD1 PHE A 403 -5.115 5.836 9.159 1.00 0.00 C ATOM 159 CD2 PHE A 403 -3.455 6.476 10.730 1.00 0.00 C ATOM 160 CE1 PHE A 403 -4.287 6.189 8.128 1.00 0.00 C ATOM 161 CE2 PHE A 403 -2.625 6.838 9.701 1.00 0.00 C ATOM 162 CZ PHE A 403 -3.042 6.690 8.399 1.00 0.00 C ATOM 0 H PHE A 403 -5.852 7.114 13.297 1.00 0.00 H new ATOM 0 HA PHE A 403 -7.019 6.969 10.799 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -5.056 5.621 12.512 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -5.854 4.495 11.431 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -6.099 5.446 8.944 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -3.124 6.587 11.752 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -4.614 6.073 7.105 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -1.645 7.239 9.913 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.386 6.970 7.588 1.00 0.00 H new ATOM 172 N ASN A 404 -8.849 5.351 10.712 1.00 0.00 N ATOM 173 CA ASN A 404 -10.021 4.494 10.676 1.00 0.00 C ATOM 174 C ASN A 404 -9.642 3.120 10.158 1.00 0.00 C ATOM 175 O ASN A 404 -9.114 2.987 9.052 1.00 0.00 O ATOM 176 CB ASN A 404 -11.119 5.106 9.801 1.00 0.00 C ATOM 177 CG ASN A 404 -11.982 6.111 10.545 1.00 0.00 C ATOM 178 OD1 ASN A 404 -11.403 6.803 11.516 1.00 0.00 O flip ATOM 179 ND2 ASN A 404 -13.164 6.269 10.248 1.00 0.00 N flip ATOM 0 H ASN A 404 -8.696 5.893 9.862 1.00 0.00 H new ATOM 0 HA ASN A 404 -10.409 4.398 11.690 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.660 5.595 8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.753 4.309 9.413 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -13.578 5.720 9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -13.731 6.949 10.754 1.00 0.00 H new ATOM 361 N VAL B 8 -0.669 0.367 -13.644 1.00 0.00 N ATOM 362 CA VAL B 8 -1.095 1.283 -12.611 1.00 0.00 C ATOM 363 C VAL B 8 -2.571 1.583 -12.770 1.00 0.00 C ATOM 364 O VAL B 8 -2.986 2.254 -13.714 1.00 0.00 O ATOM 365 CB VAL B 8 -0.309 2.602 -12.648 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.934 3.602 -11.693 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.154 2.368 -12.306 1.00 0.00 C ATOM 0 HA VAL B 8 -0.904 0.802 -11.652 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.353 3.009 -13.658 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.372 4.535 -11.724 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.966 3.790 -11.988 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.914 3.200 -10.680 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.691 3.316 -12.338 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.230 1.942 -11.306 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.591 1.679 -13.028 1.00 0.00 H new ATOM 377 N LEU B 9 -3.357 1.058 -11.853 1.00 0.00 N ATOM 378 CA LEU B 9 -4.787 1.265 -11.878 1.00 0.00 C ATOM 379 C LEU B 9 -5.144 2.616 -11.273 1.00 0.00 C ATOM 380 O LEU B 9 -6.097 3.266 -11.700 1.00 0.00 O ATOM 381 CB LEU B 9 -5.509 0.147 -11.115 1.00 0.00 C ATOM 382 CG LEU B 9 -5.076 -1.282 -11.465 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.809 -2.286 -10.590 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.327 -1.575 -12.937 1.00 0.00 C ATOM 0 H LEU B 9 -3.026 0.483 -11.079 1.00 0.00 H new ATOM 0 HA LEU B 9 -5.112 1.248 -12.918 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.355 0.303 -10.047 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.579 0.238 -11.300 1.00 0.00 H new ATOM 0 HG LEU B 9 -4.006 -1.373 -11.277 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.491 -3.296 -10.850 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.579 -2.092 -9.542 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.883 -2.191 -10.749 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.013 -2.594 -13.164 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.390 -1.466 -13.154 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.758 -0.875 -13.549 1.00 0.00 H new ATOM 396 N LEU B 10 -4.378 3.037 -10.278 1.00 0.00 N ATOM 397 CA LEU B 10 -4.637 4.310 -9.624 1.00 0.00 C ATOM 398 C LEU B 10 -3.376 5.148 -9.478 1.00 0.00 C ATOM 399 O LEU B 10 -2.356 4.670 -8.980 1.00 0.00 O ATOM 400 CB LEU B 10 -5.234 4.068 -8.246 1.00 0.00 C ATOM 401 CG LEU B 10 -5.641 5.337 -7.494 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.072 5.724 -7.795 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.455 5.158 -6.006 1.00 0.00 C ATOM 0 H LEU B 10 -3.579 2.521 -9.909 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.337 4.860 -10.253 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.110 3.428 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.510 3.521 -7.642 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.992 6.143 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.328 6.629 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.183 5.906 -8.864 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.739 4.916 -7.494 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.750 6.072 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.073 4.330 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.408 4.943 -5.793 1.00 0.00 H new ATOM 415 N ILE B 11 -3.455 6.394 -9.918 1.00 0.00 N ATOM 416 CA ILE B 11 -2.342 7.316 -9.800 1.00 0.00 C ATOM 417 C ILE B 11 -2.696 8.403 -8.802 1.00 0.00 C ATOM 418 O ILE B 11 -3.690 9.111 -8.967 1.00 0.00 O ATOM 419 CB ILE B 11 -1.961 7.985 -11.135 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.643 6.931 -12.197 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.770 8.915 -10.923 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.358 7.511 -13.566 1.00 0.00 C ATOM 0 H ILE B 11 -4.284 6.789 -10.362 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.484 6.730 -9.470 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.808 8.572 -11.490 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.780 6.350 -11.872 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.483 6.240 -12.273 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.503 9.386 -11.869 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -1.033 9.684 -10.196 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.079 8.340 -10.552 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.141 6.704 -14.265 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.228 8.068 -13.913 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.499 8.180 -13.506 1.00 0.00 H new ATOM 434 N VAL B 12 -1.888 8.522 -7.775 1.00 0.00 N ATOM 435 CA VAL B 12 -2.100 9.507 -6.744 1.00 0.00 C ATOM 436 C VAL B 12 -0.976 10.522 -6.790 1.00 0.00 C ATOM 437 O VAL B 12 0.148 10.196 -7.168 1.00 0.00 O ATOM 438 CB VAL B 12 -2.157 8.858 -5.354 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.737 9.815 -4.337 1.00 0.00 C ATOM 440 CG2 VAL B 12 -2.967 7.576 -5.400 1.00 0.00 C ATOM 0 H VAL B 12 -1.065 7.937 -7.632 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.057 9.997 -6.924 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.139 8.614 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.767 9.333 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.115 10.708 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.747 10.094 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.997 7.129 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.982 7.799 -5.729 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.504 6.878 -6.098 1.00 0.00 H new ATOM 450 N LYS B 13 -1.273 11.739 -6.406 1.00 0.00 N ATOM 451 CA LYS B 13 -0.285 12.797 -6.442 1.00 0.00 C ATOM 452 C LYS B 13 0.016 13.326 -5.060 1.00 0.00 C ATOM 453 O LYS B 13 -0.615 12.916 -4.092 1.00 0.00 O ATOM 454 CB LYS B 13 -0.768 13.928 -7.339 1.00 0.00 C ATOM 455 CG LYS B 13 -0.900 13.515 -8.788 1.00 0.00 C ATOM 456 CD LYS B 13 -2.123 14.134 -9.434 1.00 0.00 C ATOM 457 CE LYS B 13 -3.406 13.403 -9.053 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.021 13.936 -7.803 1.00 0.00 N ATOM 0 H LYS B 13 -2.191 12.025 -6.064 1.00 0.00 H new ATOM 0 HA LYS B 13 0.637 12.379 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -1.733 14.284 -6.979 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.073 14.764 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -0.007 13.816 -9.336 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.963 12.429 -8.853 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.200 15.180 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.006 14.120 -10.518 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.123 13.486 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -3.191 12.342 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.056 13.953 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.762 13.326 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.674 14.901 -7.630 1.00 0.00 H new ATOM 472 N LYS B 14 0.933 14.296 -5.030 1.00 0.00 N ATOM 473 CA LYS B 14 1.421 14.955 -3.808 1.00 0.00 C ATOM 474 C LYS B 14 1.133 14.164 -2.533 1.00 0.00 C ATOM 475 O LYS B 14 0.345 14.580 -1.681 1.00 0.00 O ATOM 476 CB LYS B 14 0.806 16.349 -3.711 1.00 0.00 C ATOM 477 CG LYS B 14 1.498 17.376 -4.589 1.00 0.00 C ATOM 478 CD LYS B 14 2.203 18.434 -3.760 1.00 0.00 C ATOM 479 CE LYS B 14 3.457 18.934 -4.456 1.00 0.00 C ATOM 480 NZ LYS B 14 4.512 17.891 -4.500 1.00 0.00 N ATOM 0 H LYS B 14 1.371 14.658 -5.877 1.00 0.00 H new ATOM 0 HA LYS B 14 2.506 15.017 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.246 16.294 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.844 16.683 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.221 16.876 -5.234 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.765 17.852 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.526 19.269 -3.581 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.465 18.021 -2.786 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.210 19.246 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.836 19.814 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.434 18.338 -4.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.540 17.387 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.302 17.217 -5.263 1.00 0.00 H new ATOM 494 N VAL B 15 1.783 13.017 -2.423 1.00 0.00 N ATOM 495 CA VAL B 15 1.635 12.145 -1.276 1.00 0.00 C ATOM 496 C VAL B 15 2.955 12.061 -0.530 1.00 0.00 C ATOM 497 O VAL B 15 3.980 11.710 -1.108 1.00 0.00 O ATOM 498 CB VAL B 15 1.179 10.724 -1.688 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.453 9.712 -0.586 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.297 10.719 -2.038 1.00 0.00 C ATOM 0 H VAL B 15 2.429 12.666 -3.130 1.00 0.00 H new ATOM 0 HA VAL B 15 0.865 12.567 -0.631 1.00 0.00 H new ATOM 0 HB VAL B 15 1.755 10.436 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL B 15 1.121 8.725 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.522 9.684 -0.375 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.913 10.001 0.316 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.599 9.712 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.877 11.039 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.476 11.402 -2.868 1.00 0.00 H new ATOM 510 N ARG B 16 2.924 12.394 0.744 1.00 0.00 N ATOM 511 CA ARG B 16 4.111 12.355 1.568 1.00 0.00 C ATOM 512 C ARG B 16 4.161 11.059 2.355 1.00 0.00 C ATOM 513 O ARG B 16 3.244 10.746 3.094 1.00 0.00 O ATOM 514 CB ARG B 16 4.134 13.549 2.523 1.00 0.00 C ATOM 515 CG ARG B 16 4.442 14.865 1.837 1.00 0.00 C ATOM 516 CD ARG B 16 4.001 16.057 2.672 1.00 0.00 C ATOM 517 NE ARG B 16 4.663 17.290 2.244 1.00 0.00 N ATOM 518 CZ ARG B 16 4.413 17.904 1.085 1.00 0.00 C ATOM 519 NH1 ARG B 16 3.434 17.479 0.298 1.00 0.00 N ATOM 520 NH2 ARG B 16 5.128 18.965 0.727 1.00 0.00 N ATOM 0 H ARG B 16 2.082 12.697 1.233 1.00 0.00 H new ATOM 0 HA ARG B 16 4.986 12.408 0.920 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.167 13.625 3.020 1.00 0.00 H new ATOM 0 HB3 ARG B 16 4.878 13.370 3.299 1.00 0.00 H new ATOM 0 HG2 ARG B 16 5.513 14.932 1.645 1.00 0.00 H new ATOM 0 HG3 ARG B 16 3.942 14.895 0.869 1.00 0.00 H new ATOM 0 HD2 ARG B 16 2.921 16.177 2.593 1.00 0.00 H new ATOM 0 HD3 ARG B 16 4.225 15.869 3.722 1.00 0.00 H new ATOM 0 HE ARG B 16 5.356 17.704 2.867 1.00 0.00 H new ATOM 0 HH11 ARG B 16 2.867 16.679 0.577 1.00 0.00 H new ATOM 0 HH12 ARG B 16 3.248 17.953 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG B 16 5.868 19.311 1.338 1.00 0.00 H new ATOM 0 HH22 ARG B 16 4.937 19.434 -0.158 1.00 0.00 H new ATOM 534 N GLN B 17 5.220 10.300 2.186 1.00 0.00 N ATOM 535 CA GLN B 17 5.360 9.059 2.916 1.00 0.00 C ATOM 536 C GLN B 17 6.379 9.256 4.023 1.00 0.00 C ATOM 537 O GLN B 17 7.581 9.267 3.775 1.00 0.00 O ATOM 538 CB GLN B 17 5.793 7.932 1.973 1.00 0.00 C ATOM 539 CG GLN B 17 5.578 6.534 2.540 1.00 0.00 C ATOM 540 CD GLN B 17 6.781 6.006 3.302 1.00 0.00 C ATOM 541 OE1 GLN B 17 7.973 6.411 2.890 1.00 0.00 O flip ATOM 542 NE2 GLN B 17 6.640 5.234 4.248 1.00 0.00 N flip ATOM 0 H GLN B 17 5.992 10.517 1.555 1.00 0.00 H new ATOM 0 HA GLN B 17 4.402 8.777 3.353 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.241 8.023 1.037 1.00 0.00 H new ATOM 0 HB3 GLN B 17 6.849 8.058 1.734 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.713 6.547 3.203 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.344 5.850 1.724 1.00 0.00 H new ATOM 0 HE21 GLN B 17 5.705 4.945 4.536 1.00 0.00 H new ATOM 0 HE22 GLN B 17 7.458 4.882 4.746 1.00 0.00 H new ATOM 551 N LYS B 18 5.883 9.419 5.238 1.00 0.00 N ATOM 552 CA LYS B 18 6.724 9.622 6.408 1.00 0.00 C ATOM 553 C LYS B 18 7.738 10.755 6.190 1.00 0.00 C ATOM 554 O LYS B 18 8.952 10.537 6.185 1.00 0.00 O ATOM 555 CB LYS B 18 7.402 8.303 6.806 1.00 0.00 C ATOM 556 CG LYS B 18 6.389 7.190 7.048 1.00 0.00 C ATOM 557 CD LYS B 18 7.029 5.896 7.528 1.00 0.00 C ATOM 558 CE LYS B 18 6.037 4.744 7.436 1.00 0.00 C ATOM 559 NZ LYS B 18 6.180 3.773 8.558 1.00 0.00 N ATOM 0 H LYS B 18 4.884 9.414 5.442 1.00 0.00 H new ATOM 0 HA LYS B 18 6.091 9.937 7.238 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.093 7.999 6.020 1.00 0.00 H new ATOM 0 HB3 LYS B 18 7.993 8.457 7.709 1.00 0.00 H new ATOM 0 HG2 LYS B 18 5.660 7.524 7.787 1.00 0.00 H new ATOM 0 HG3 LYS B 18 5.842 6.997 6.125 1.00 0.00 H new ATOM 0 HD2 LYS B 18 7.910 5.674 6.926 1.00 0.00 H new ATOM 0 HD3 LYS B 18 7.367 6.011 8.558 1.00 0.00 H new ATOM 0 HE2 LYS B 18 5.022 5.143 7.432 1.00 0.00 H new ATOM 0 HE3 LYS B 18 6.178 4.223 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.356 3.139 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 7.045 3.212 8.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 6.239 4.290 9.459 1.00 0.00 H new ATOM 573 N LYS B 19 7.192 11.958 5.960 1.00 0.00 N ATOM 574 CA LYS B 19 7.965 13.202 5.776 1.00 0.00 C ATOM 575 C LYS B 19 8.595 13.385 4.380 1.00 0.00 C ATOM 576 O LYS B 19 9.425 14.277 4.206 1.00 0.00 O ATOM 577 CB LYS B 19 9.045 13.347 6.859 1.00 0.00 C ATOM 578 CG LYS B 19 8.751 14.440 7.881 1.00 0.00 C ATOM 579 CD LYS B 19 7.749 13.982 8.932 1.00 0.00 C ATOM 580 CE LYS B 19 8.423 13.244 10.072 1.00 0.00 C ATOM 581 NZ LYS B 19 9.221 14.132 10.949 1.00 0.00 N ATOM 0 H LYS B 19 6.184 12.100 5.895 1.00 0.00 H new ATOM 0 HA LYS B 19 7.224 13.996 5.871 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.154 12.396 7.380 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.001 13.559 6.379 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.678 14.739 8.370 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.363 15.320 7.369 1.00 0.00 H new ATOM 0 HD2 LYS B 19 7.214 14.847 9.325 1.00 0.00 H new ATOM 0 HD3 LYS B 19 7.007 13.333 8.468 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.664 12.740 10.670 1.00 0.00 H new ATOM 0 HE3 LYS B 19 9.072 12.470 9.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 9.458 13.630 11.828 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.097 14.407 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 8.669 14.984 11.175 1.00 0.00 H new ATOM 595 N GLN B 20 8.212 12.592 3.381 1.00 0.00 N ATOM 596 CA GLN B 20 8.779 12.772 2.033 1.00 0.00 C ATOM 597 C GLN B 20 7.674 12.827 0.976 1.00 0.00 C ATOM 598 O GLN B 20 6.848 11.929 0.887 1.00 0.00 O ATOM 599 CB GLN B 20 9.811 11.681 1.705 1.00 0.00 C ATOM 600 CG GLN B 20 9.241 10.279 1.632 1.00 0.00 C ATOM 601 CD GLN B 20 10.299 9.209 1.795 1.00 0.00 C ATOM 602 OE1 GLN B 20 10.876 8.730 0.819 1.00 0.00 O ATOM 603 NE2 GLN B 20 10.555 8.823 3.033 1.00 0.00 N ATOM 0 H GLN B 20 7.531 11.837 3.467 1.00 0.00 H new ATOM 0 HA GLN B 20 9.302 13.728 2.020 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.281 11.919 0.751 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.596 11.702 2.461 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.485 10.158 2.408 1.00 0.00 H new ATOM 0 HG3 GLN B 20 8.739 10.145 0.674 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.053 9.247 3.813 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.254 8.101 3.208 1.00 0.00 H new ATOM 612 N ASP B 21 7.677 13.889 0.175 1.00 0.00 N ATOM 613 CA ASP B 21 6.649 14.105 -0.856 1.00 0.00 C ATOM 614 C ASP B 21 6.909 13.292 -2.126 1.00 0.00 C ATOM 615 O ASP B 21 8.058 12.977 -2.451 1.00 0.00 O ATOM 616 CB ASP B 21 6.581 15.596 -1.206 1.00 0.00 C ATOM 617 CG ASP B 21 5.237 16.021 -1.773 1.00 0.00 C ATOM 618 OD1 ASP B 21 4.350 15.163 -1.942 1.00 0.00 O ATOM 619 OD2 ASP B 21 5.061 17.233 -2.038 1.00 0.00 O ATOM 0 H ASP B 21 8.384 14.623 0.216 1.00 0.00 H new ATOM 0 HA ASP B 21 5.699 13.765 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.791 16.182 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.362 15.828 -1.930 1.00 0.00 H new ATOM 624 N GLY B 22 5.833 12.972 -2.844 1.00 0.00 N ATOM 625 CA GLY B 22 5.942 12.205 -4.072 1.00 0.00 C ATOM 626 C GLY B 22 4.588 11.860 -4.679 1.00 0.00 C ATOM 627 O GLY B 22 3.583 12.502 -4.380 1.00 0.00 O ATOM 0 H GLY B 22 4.880 13.234 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.526 12.772 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.490 11.284 -3.872 1.00 0.00 H new ATOM 631 N ALA B 23 4.569 10.835 -5.524 1.00 0.00 N ATOM 632 CA ALA B 23 3.351 10.383 -6.191 1.00 0.00 C ATOM 633 C ALA B 23 3.162 8.888 -5.959 1.00 0.00 C ATOM 634 O ALA B 23 4.119 8.112 -6.034 1.00 0.00 O ATOM 635 CB ALA B 23 3.418 10.689 -7.681 1.00 0.00 C ATOM 0 H ALA B 23 5.398 10.293 -5.767 1.00 0.00 H new ATOM 0 HA ALA B 23 2.497 10.915 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.503 10.346 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.525 11.764 -7.827 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.274 10.176 -8.120 1.00 0.00 H new ATOM 641 N LEU B 24 1.933 8.489 -5.679 1.00 0.00 N ATOM 642 CA LEU B 24 1.609 7.095 -5.403 1.00 0.00 C ATOM 643 C LEU B 24 0.979 6.431 -6.632 1.00 0.00 C ATOM 644 O LEU B 24 0.191 7.045 -7.338 1.00 0.00 O ATOM 645 CB LEU B 24 0.659 7.033 -4.203 1.00 0.00 C ATOM 646 CG LEU B 24 0.198 5.633 -3.803 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.125 5.010 -2.785 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.218 5.677 -3.261 1.00 0.00 C ATOM 0 H LEU B 24 1.132 9.119 -5.636 1.00 0.00 H new ATOM 0 HA LEU B 24 2.523 6.550 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.152 7.493 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.221 7.637 -4.426 1.00 0.00 H new ATOM 0 HG LEU B 24 0.219 5.012 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.764 4.015 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.128 4.934 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.152 5.631 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.532 4.671 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.252 6.325 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.889 6.066 -4.027 1.00 0.00 H new ATOM 660 N TYR B 25 1.344 5.184 -6.893 1.00 0.00 N ATOM 661 CA TYR B 25 0.811 4.444 -8.035 1.00 0.00 C ATOM 662 C TYR B 25 0.419 3.034 -7.598 1.00 0.00 C ATOM 663 O TYR B 25 1.247 2.287 -7.083 1.00 0.00 O ATOM 664 CB TYR B 25 1.845 4.354 -9.167 1.00 0.00 C ATOM 665 CG TYR B 25 2.396 5.682 -9.639 1.00 0.00 C ATOM 666 CD1 TYR B 25 1.868 6.320 -10.754 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.456 6.289 -8.977 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.381 7.526 -11.193 1.00 0.00 C ATOM 669 CE2 TYR B 25 3.971 7.496 -9.409 1.00 0.00 C ATOM 670 CZ TYR B 25 3.431 8.109 -10.517 1.00 0.00 C ATOM 671 OH TYR B 25 3.943 9.310 -10.952 1.00 0.00 O ATOM 0 H TYR B 25 2.011 4.658 -6.328 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.065 4.977 -8.405 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.675 3.732 -8.832 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.388 3.845 -10.016 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.044 5.867 -11.286 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.885 5.809 -8.110 1.00 0.00 H new ATOM 0 HE1 TYR B 25 1.961 8.010 -12.062 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.793 7.956 -8.880 1.00 0.00 H new ATOM 0 HH TYR B 25 4.678 9.584 -10.365 1.00 0.00 H new ATOM 681 N LEU B 26 -0.833 2.664 -7.804 1.00 0.00 N ATOM 682 CA LEU B 26 -1.291 1.341 -7.399 1.00 0.00 C ATOM 683 C LEU B 26 -1.413 0.396 -8.588 1.00 0.00 C ATOM 684 O LEU B 26 -2.194 0.645 -9.508 1.00 0.00 O ATOM 685 CB LEU B 26 -2.639 1.429 -6.678 1.00 0.00 C ATOM 686 CG LEU B 26 -2.744 2.516 -5.608 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.037 2.385 -4.842 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.590 2.455 -4.640 1.00 0.00 C ATOM 0 H LEU B 26 -1.544 3.249 -8.243 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.541 0.940 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.418 1.599 -7.421 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.846 0.465 -6.213 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.718 3.476 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.093 3.168 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.878 2.483 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.076 1.409 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.699 3.242 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.582 1.484 -4.144 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.654 2.594 -5.181 1.00 0.00 H new ATOM 700 N MET B 27 -0.631 -0.679 -8.561 1.00 0.00 N ATOM 701 CA MET B 27 -0.657 -1.697 -9.607 1.00 0.00 C ATOM 702 C MET B 27 -1.615 -2.799 -9.197 1.00 0.00 C ATOM 703 O MET B 27 -1.937 -2.934 -8.019 1.00 0.00 O ATOM 704 CB MET B 27 0.727 -2.298 -9.844 1.00 0.00 C ATOM 705 CG MET B 27 1.779 -1.285 -10.239 1.00 0.00 C ATOM 706 SD MET B 27 2.545 -0.488 -8.820 1.00 0.00 S ATOM 707 CE MET B 27 3.385 0.859 -9.637 1.00 0.00 C ATOM 0 H MET B 27 0.038 -0.869 -7.815 1.00 0.00 H new ATOM 0 HA MET B 27 -0.983 -1.226 -10.534 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.051 -2.807 -8.936 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.654 -3.054 -10.625 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.549 -1.779 -10.832 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.325 -0.526 -10.876 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.460 0.765 -9.482 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.168 0.829 -10.705 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.041 1.807 -9.223 1.00 0.00 H new ATOM 717 N ALA B 28 -2.023 -3.612 -10.154 1.00 0.00 N ATOM 718 CA ALA B 28 -2.971 -4.692 -9.901 1.00 0.00 C ATOM 719 C ALA B 28 -2.480 -5.697 -8.856 1.00 0.00 C ATOM 720 O ALA B 28 -3.285 -6.396 -8.247 1.00 0.00 O ATOM 721 CB ALA B 28 -3.290 -5.412 -11.203 1.00 0.00 C ATOM 0 H ALA B 28 -1.712 -3.547 -11.123 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.870 -4.232 -9.492 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.998 -6.218 -11.009 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.727 -4.707 -11.911 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.374 -5.827 -11.623 1.00 0.00 H new ATOM 727 N GLU B 29 -1.172 -5.771 -8.638 1.00 0.00 N ATOM 728 CA GLU B 29 -0.624 -6.732 -7.685 1.00 0.00 C ATOM 729 C GLU B 29 0.046 -6.059 -6.488 1.00 0.00 C ATOM 730 O GLU B 29 0.277 -6.705 -5.457 1.00 0.00 O ATOM 731 CB GLU B 29 0.418 -7.622 -8.375 1.00 0.00 C ATOM 732 CG GLU B 29 0.176 -7.830 -9.861 1.00 0.00 C ATOM 733 CD GLU B 29 0.740 -6.692 -10.695 1.00 0.00 C ATOM 734 OE1 GLU B 29 1.146 -5.659 -10.104 1.00 0.00 O ATOM 735 OE2 GLU B 29 0.777 -6.820 -11.930 1.00 0.00 O ATOM 0 H GLU B 29 -0.477 -5.185 -9.101 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.467 -7.321 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.405 -7.180 -8.238 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.433 -8.594 -7.882 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.632 -8.769 -10.174 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.895 -7.918 -10.045 1.00 0.00 H new ATOM 742 N ARG B 30 0.338 -4.766 -6.586 1.00 0.00 N ATOM 743 CA ARG B 30 1.037 -4.097 -5.494 1.00 0.00 C ATOM 744 C ARG B 30 0.850 -2.593 -5.508 1.00 0.00 C ATOM 745 O ARG B 30 0.399 -2.015 -6.489 1.00 0.00 O ATOM 746 CB ARG B 30 2.537 -4.406 -5.557 1.00 0.00 C ATOM 747 CG ARG B 30 3.274 -3.702 -6.692 1.00 0.00 C ATOM 748 CD ARG B 30 3.382 -4.589 -7.919 1.00 0.00 C ATOM 749 NE ARG B 30 4.562 -4.274 -8.723 1.00 0.00 N ATOM 750 CZ ARG B 30 4.688 -4.601 -10.007 1.00 0.00 C ATOM 751 NH1 ARG B 30 3.688 -5.196 -10.637 1.00 0.00 N ATOM 752 NH2 ARG B 30 5.809 -4.316 -10.667 1.00 0.00 N ATOM 0 H ARG B 30 0.110 -4.175 -7.385 1.00 0.00 H new ATOM 0 HA ARG B 30 0.602 -4.481 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG B 30 2.995 -4.121 -4.610 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.670 -5.482 -5.665 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.751 -2.782 -6.952 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.272 -3.418 -6.358 1.00 0.00 H new ATOM 0 HD2 ARG B 30 3.423 -5.633 -7.609 1.00 0.00 H new ATOM 0 HD3 ARG B 30 2.486 -4.473 -8.529 1.00 0.00 H new ATOM 0 HE ARG B 30 5.331 -3.776 -8.275 1.00 0.00 H new ATOM 0 HH11 ARG B 30 2.823 -5.403 -10.139 1.00 0.00 H new ATOM 0 HH12 ARG B 30 3.783 -5.447 -11.621 1.00 0.00 H new ATOM 0 HH21 ARG B 30 6.577 -3.845 -10.189 1.00 0.00 H new ATOM 0 HH22 ARG B 30 5.900 -4.569 -11.651 1.00 0.00 H new ATOM 766 N ILE B 31 1.223 -1.977 -4.402 1.00 0.00 N ATOM 767 CA ILE B 31 1.142 -0.540 -4.250 1.00 0.00 C ATOM 768 C ILE B 31 2.554 0.035 -4.228 1.00 0.00 C ATOM 769 O ILE B 31 3.388 -0.369 -3.411 1.00 0.00 O ATOM 770 CB ILE B 31 0.376 -0.141 -2.963 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.814 1.242 -2.474 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.569 -1.183 -1.867 1.00 0.00 C ATOM 773 CD1 ILE B 31 -0.051 1.797 -1.366 1.00 0.00 C ATOM 0 H ILE B 31 1.591 -2.462 -3.583 1.00 0.00 H new ATOM 0 HA ILE B 31 0.586 -0.131 -5.094 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.686 -0.097 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.845 1.184 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.801 1.936 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.021 -0.879 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.195 -2.147 -2.211 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.629 -1.269 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.320 2.779 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.079 1.888 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -0.019 1.125 -0.508 1.00 0.00 H new ATOM 785 N ALA B 32 2.831 0.945 -5.146 1.00 0.00 N ATOM 786 CA ALA B 32 4.141 1.563 -5.227 1.00 0.00 C ATOM 787 C ALA B 32 4.026 3.075 -5.145 1.00 0.00 C ATOM 788 O ALA B 32 3.001 3.652 -5.493 1.00 0.00 O ATOM 789 CB ALA B 32 4.849 1.150 -6.507 1.00 0.00 C ATOM 0 H ALA B 32 2.165 1.272 -5.846 1.00 0.00 H new ATOM 0 HA ALA B 32 4.734 1.218 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.830 1.624 -6.549 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.968 0.067 -6.524 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.257 1.463 -7.367 1.00 0.00 H new ATOM 795 N TRP B 33 5.070 3.711 -4.661 1.00 0.00 N ATOM 796 CA TRP B 33 5.090 5.155 -4.535 1.00 0.00 C ATOM 797 C TRP B 33 6.509 5.667 -4.756 1.00 0.00 C ATOM 798 O TRP B 33 7.479 5.039 -4.316 1.00 0.00 O ATOM 799 CB TRP B 33 4.525 5.556 -3.162 1.00 0.00 C ATOM 800 CG TRP B 33 4.723 6.994 -2.784 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.808 7.993 -2.905 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.892 7.592 -2.209 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.330 9.174 -2.459 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.610 8.957 -2.025 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.150 7.110 -1.838 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.536 9.841 -1.486 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.068 7.991 -1.304 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.756 9.343 -1.133 1.00 0.00 C ATOM 0 H TRP B 33 5.923 3.249 -4.346 1.00 0.00 H new ATOM 0 HA TRP B 33 4.458 5.614 -5.295 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.457 5.337 -3.149 1.00 0.00 H new ATOM 0 HB3 TRP B 33 4.988 4.930 -2.400 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.810 7.870 -3.298 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.845 10.071 -2.451 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.399 6.067 -1.967 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.298 10.886 -1.351 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 9.044 7.630 -1.013 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.497 10.007 -0.713 1.00 0.00 H new ATOM 819 N ALA B 34 6.631 6.784 -5.455 1.00 0.00 N ATOM 820 CA ALA B 34 7.930 7.373 -5.739 1.00 0.00 C ATOM 821 C ALA B 34 7.944 8.844 -5.354 1.00 0.00 C ATOM 822 O ALA B 34 6.961 9.551 -5.568 1.00 0.00 O ATOM 823 CB ALA B 34 8.272 7.210 -7.213 1.00 0.00 C ATOM 0 H ALA B 34 5.841 7.304 -5.838 1.00 0.00 H new ATOM 0 HA ALA B 34 8.682 6.853 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA B 34 9.247 7.655 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.299 6.150 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.515 7.708 -7.819 1.00 0.00 H new ATOM 829 N PRO B 35 9.054 9.321 -4.771 1.00 0.00 N ATOM 830 CA PRO B 35 9.191 10.719 -4.360 1.00 0.00 C ATOM 831 C PRO B 35 9.148 11.668 -5.557 1.00 0.00 C ATOM 832 O PRO B 35 9.415 11.266 -6.694 1.00 0.00 O ATOM 833 CB PRO B 35 10.559 10.775 -3.668 1.00 0.00 C ATOM 834 CG PRO B 35 10.919 9.355 -3.387 1.00 0.00 C ATOM 835 CD PRO B 35 10.259 8.540 -4.462 1.00 0.00 C ATOM 0 HA PRO B 35 8.375 11.035 -3.710 1.00 0.00 H new ATOM 0 HB2 PRO B 35 11.303 11.250 -4.307 1.00 0.00 H new ATOM 0 HB3 PRO B 35 10.510 11.357 -2.748 1.00 0.00 H new ATOM 0 HG2 PRO B 35 12.000 9.217 -3.401 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.571 9.053 -2.399 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.902 8.426 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO B 35 10.012 7.537 -4.115 1.00 0.00 H new ATOM 843 N GLU B 36 8.822 12.926 -5.294 1.00 0.00 N ATOM 844 CA GLU B 36 8.719 13.934 -6.342 1.00 0.00 C ATOM 845 C GLU B 36 10.019 14.071 -7.133 1.00 0.00 C ATOM 846 O GLU B 36 11.090 14.337 -6.572 1.00 0.00 O ATOM 847 CB GLU B 36 8.327 15.283 -5.743 1.00 0.00 C ATOM 848 CG GLU B 36 7.883 16.298 -6.782 1.00 0.00 C ATOM 849 CD GLU B 36 6.597 16.996 -6.395 1.00 0.00 C ATOM 850 OE1 GLU B 36 6.657 18.159 -5.941 1.00 0.00 O ATOM 851 OE2 GLU B 36 5.517 16.379 -6.525 1.00 0.00 O ATOM 0 H GLU B 36 8.623 13.275 -4.357 1.00 0.00 H new ATOM 0 HA GLU B 36 7.944 13.606 -7.034 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.521 15.133 -5.025 1.00 0.00 H new ATOM 0 HB3 GLU B 36 9.175 15.687 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU B 36 8.669 17.041 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU B 36 7.747 15.797 -7.740 1.00 0.00 H new ATOM 858 N GLY B 37 9.917 13.863 -8.440 1.00 0.00 N ATOM 859 CA GLY B 37 11.067 13.980 -9.314 1.00 0.00 C ATOM 860 C GLY B 37 12.019 12.805 -9.213 1.00 0.00 C ATOM 861 O GLY B 37 13.230 12.974 -9.368 1.00 0.00 O ATOM 0 H GLY B 37 9.049 13.613 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY B 37 10.724 14.073 -10.344 1.00 0.00 H new ATOM 0 HA3 GLY B 37 11.606 14.897 -9.074 1.00 0.00 H new ATOM 865 N LYS B 38 11.495 11.631 -8.895 1.00 0.00 N ATOM 866 CA LYS B 38 12.321 10.434 -8.797 1.00 0.00 C ATOM 867 C LYS B 38 11.950 9.446 -9.892 1.00 0.00 C ATOM 868 O LYS B 38 10.791 9.364 -10.297 1.00 0.00 O ATOM 869 CB LYS B 38 12.192 9.780 -7.418 1.00 0.00 C ATOM 870 CG LYS B 38 13.225 10.273 -6.413 1.00 0.00 C ATOM 871 CD LYS B 38 12.918 11.686 -5.940 1.00 0.00 C ATOM 872 CE LYS B 38 14.131 12.594 -6.036 1.00 0.00 C ATOM 873 NZ LYS B 38 13.825 13.839 -6.789 1.00 0.00 N ATOM 0 H LYS B 38 10.505 11.480 -8.701 1.00 0.00 H new ATOM 0 HA LYS B 38 13.361 10.731 -8.928 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.194 9.973 -7.025 1.00 0.00 H new ATOM 0 HB3 LYS B 38 12.289 8.700 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS B 38 13.250 9.600 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS B 38 14.216 10.248 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.107 12.100 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS B 38 12.569 11.655 -4.908 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.475 12.850 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS B 38 14.946 12.062 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 14.478 14.593 -6.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 13.936 13.664 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 12.847 14.132 -6.592 1.00 0.00 H new ATOM 887 N ASP B 39 12.941 8.711 -10.368 1.00 0.00 N ATOM 888 CA ASP B 39 12.744 7.728 -11.427 1.00 0.00 C ATOM 889 C ASP B 39 12.470 6.347 -10.844 1.00 0.00 C ATOM 890 O ASP B 39 11.907 5.478 -11.507 1.00 0.00 O ATOM 891 CB ASP B 39 13.989 7.672 -12.321 1.00 0.00 C ATOM 892 CG ASP B 39 15.215 7.145 -11.590 1.00 0.00 C ATOM 893 OD1 ASP B 39 15.371 7.439 -10.380 1.00 0.00 O ATOM 894 OD2 ASP B 39 16.029 6.435 -12.215 1.00 0.00 O ATOM 0 H ASP B 39 13.903 8.776 -10.034 1.00 0.00 H new ATOM 0 HA ASP B 39 11.880 8.031 -12.019 1.00 0.00 H new ATOM 0 HB2 ASP B 39 13.784 7.037 -13.183 1.00 0.00 H new ATOM 0 HB3 ASP B 39 14.201 8.670 -12.704 1.00 0.00 H new ATOM 899 N ARG B 40 12.863 6.155 -9.595 1.00 0.00 N ATOM 900 CA ARG B 40 12.683 4.877 -8.929 1.00 0.00 C ATOM 901 C ARG B 40 11.684 4.980 -7.787 1.00 0.00 C ATOM 902 O ARG B 40 11.615 5.997 -7.091 1.00 0.00 O ATOM 903 CB ARG B 40 14.028 4.364 -8.409 1.00 0.00 C ATOM 904 CG ARG B 40 14.762 5.360 -7.521 1.00 0.00 C ATOM 905 CD ARG B 40 16.267 5.256 -7.703 1.00 0.00 C ATOM 906 NE ARG B 40 16.660 5.492 -9.091 1.00 0.00 N ATOM 907 CZ ARG B 40 17.679 4.887 -9.697 1.00 0.00 C ATOM 908 NH1 ARG B 40 18.472 4.064 -9.016 1.00 0.00 N ATOM 909 NH2 ARG B 40 17.903 5.111 -10.985 1.00 0.00 N ATOM 0 H ARG B 40 13.310 6.871 -9.022 1.00 0.00 H new ATOM 0 HA ARG B 40 12.284 4.171 -9.658 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.864 3.444 -7.849 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.663 4.111 -9.258 1.00 0.00 H new ATOM 0 HG2 ARG B 40 14.434 6.372 -7.757 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.506 5.178 -6.477 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.763 5.980 -7.056 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.604 4.267 -7.392 1.00 0.00 H new ATOM 0 HE ARG B 40 16.117 6.165 -9.631 1.00 0.00 H new ATOM 0 HH11 ARG B 40 18.300 3.894 -8.025 1.00 0.00 H new ATOM 0 HH12 ARG B 40 19.252 3.603 -9.485 1.00 0.00 H new ATOM 0 HH21 ARG B 40 17.296 5.744 -11.506 1.00 0.00 H new ATOM 0 HH22 ARG B 40 18.682 4.650 -11.455 1.00 0.00 H new ATOM 923 N PHE B 41 10.914 3.919 -7.604 1.00 0.00 N ATOM 924 CA PHE B 41 9.921 3.862 -6.545 1.00 0.00 C ATOM 925 C PHE B 41 10.572 3.385 -5.256 1.00 0.00 C ATOM 926 O PHE B 41 11.166 2.307 -5.219 1.00 0.00 O ATOM 927 CB PHE B 41 8.779 2.911 -6.926 1.00 0.00 C ATOM 928 CG PHE B 41 8.060 3.289 -8.190 1.00 0.00 C ATOM 929 CD1 PHE B 41 8.503 2.828 -9.420 1.00 0.00 C ATOM 930 CD2 PHE B 41 6.938 4.099 -8.147 1.00 0.00 C ATOM 931 CE1 PHE B 41 7.839 3.171 -10.583 1.00 0.00 C ATOM 932 CE2 PHE B 41 6.272 4.445 -9.306 1.00 0.00 C ATOM 933 CZ PHE B 41 6.723 3.981 -10.525 1.00 0.00 C ATOM 0 H PHE B 41 10.959 3.079 -8.181 1.00 0.00 H new ATOM 0 HA PHE B 41 9.511 4.861 -6.400 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.181 1.904 -7.037 1.00 0.00 H new ATOM 0 HB3 PHE B 41 8.060 2.878 -6.108 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.376 2.194 -9.470 1.00 0.00 H new ATOM 0 HD2 PHE B 41 6.580 4.464 -7.196 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.193 2.806 -11.536 1.00 0.00 H new ATOM 0 HE2 PHE B 41 5.399 5.078 -9.259 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.203 4.251 -11.432 1.00 0.00 H new ATOM 943 N THR B 42 10.477 4.186 -4.209 1.00 0.00 N ATOM 944 CA THR B 42 11.057 3.821 -2.927 1.00 0.00 C ATOM 945 C THR B 42 10.070 2.987 -2.119 1.00 0.00 C ATOM 946 O THR B 42 10.439 2.308 -1.162 1.00 0.00 O ATOM 947 CB THR B 42 11.461 5.072 -2.129 1.00 0.00 C ATOM 948 OG1 THR B 42 10.549 6.141 -2.410 1.00 0.00 O ATOM 949 CG2 THR B 42 12.878 5.503 -2.482 1.00 0.00 C ATOM 0 H THR B 42 10.006 5.090 -4.220 1.00 0.00 H new ATOM 0 HA THR B 42 11.953 3.230 -3.118 1.00 0.00 H new ATOM 0 HB THR B 42 11.426 4.830 -1.067 1.00 0.00 H new ATOM 0 HG1 THR B 42 9.721 6.006 -1.903 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.143 6.390 -1.906 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.573 4.697 -2.247 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.934 5.732 -3.546 1.00 0.00 H new ATOM 957 N ILE B 43 8.809 3.051 -2.521 1.00 0.00 N ATOM 958 CA ILE B 43 7.752 2.306 -1.863 1.00 0.00 C ATOM 959 C ILE B 43 7.212 1.230 -2.793 1.00 0.00 C ATOM 960 O ILE B 43 6.745 1.531 -3.888 1.00 0.00 O ATOM 961 CB ILE B 43 6.597 3.239 -1.427 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.031 4.106 -0.243 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.348 2.441 -1.078 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.415 3.313 0.987 1.00 0.00 C ATOM 0 H ILE B 43 8.494 3.618 -3.308 1.00 0.00 H new ATOM 0 HA ILE B 43 8.176 1.841 -0.973 1.00 0.00 H new ATOM 0 HB ILE B 43 6.353 3.891 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.878 4.721 -0.546 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.219 4.786 0.014 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.553 3.123 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.025 1.871 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.570 1.757 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.711 3.997 1.783 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.563 2.718 1.317 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.248 2.652 0.748 1.00 0.00 H new ATOM 976 N SER B 44 7.318 -0.018 -2.369 1.00 0.00 N ATOM 977 CA SER B 44 6.821 -1.139 -3.147 1.00 0.00 C ATOM 978 C SER B 44 6.346 -2.241 -2.208 1.00 0.00 C ATOM 979 O SER B 44 7.156 -2.983 -1.652 1.00 0.00 O ATOM 980 CB SER B 44 7.910 -1.667 -4.088 1.00 0.00 C ATOM 981 OG SER B 44 7.412 -2.696 -4.930 1.00 0.00 O ATOM 0 H SER B 44 7.748 -0.281 -1.482 1.00 0.00 H new ATOM 0 HA SER B 44 5.982 -0.804 -3.757 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.294 -0.849 -4.698 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.747 -2.047 -3.502 1.00 0.00 H new ATOM 0 HG SER B 44 8.128 -3.012 -5.520 1.00 0.00 H new ATOM 987 N HIS B 45 5.040 -2.337 -2.019 1.00 0.00 N ATOM 988 CA HIS B 45 4.477 -3.350 -1.135 1.00 0.00 C ATOM 989 C HIS B 45 3.420 -4.156 -1.865 1.00 0.00 C ATOM 990 O HIS B 45 2.537 -3.593 -2.513 1.00 0.00 O ATOM 991 CB HIS B 45 3.857 -2.707 0.113 1.00 0.00 C ATOM 992 CG HIS B 45 4.750 -1.718 0.794 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.730 -2.056 1.702 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.810 -0.371 0.663 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.343 -0.929 2.083 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.824 0.122 1.479 1.00 0.00 N ATOM 0 H HIS B 45 4.351 -1.730 -2.463 1.00 0.00 H new ATOM 0 HA HIS B 45 5.287 -4.010 -0.824 1.00 0.00 H new ATOM 0 HB2 HIS B 45 2.929 -2.209 -0.170 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.594 -3.492 0.822 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.949 -2.998 2.026 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.173 0.225 0.027 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.156 -0.886 2.792 1.00 0.00 H new ATOM 1004 N MET B 46 3.511 -5.470 -1.775 1.00 0.00 N ATOM 1005 CA MET B 46 2.544 -6.333 -2.424 1.00 0.00 C ATOM 1006 C MET B 46 1.321 -6.473 -1.532 1.00 0.00 C ATOM 1007 O MET B 46 1.445 -6.527 -0.311 1.00 0.00 O ATOM 1008 CB MET B 46 3.142 -7.714 -2.709 1.00 0.00 C ATOM 1009 CG MET B 46 4.468 -7.677 -3.456 1.00 0.00 C ATOM 1010 SD MET B 46 4.283 -7.245 -5.200 1.00 0.00 S ATOM 1011 CE MET B 46 3.272 -8.603 -5.785 1.00 0.00 C ATOM 0 H MET B 46 4.242 -5.961 -1.260 1.00 0.00 H new ATOM 0 HA MET B 46 2.260 -5.886 -3.377 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.285 -8.238 -1.764 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.426 -8.295 -3.291 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.129 -6.955 -2.977 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.950 -8.651 -3.378 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.444 -8.752 -6.851 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.536 -9.512 -5.245 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.220 -8.373 -5.616 1.00 0.00 H new ATOM 1021 N TYR B 47 0.143 -6.529 -2.141 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.114 -6.671 -1.398 1.00 0.00 C ATOM 1023 C TYR B 47 -1.092 -7.938 -0.542 1.00 0.00 C ATOM 1024 O TYR B 47 -1.767 -8.023 0.480 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.282 -6.719 -2.384 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.384 -5.481 -3.246 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.834 -5.556 -4.556 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.023 -4.235 -2.747 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.921 -4.425 -5.341 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.109 -3.103 -3.528 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.558 -3.201 -4.823 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.643 -2.072 -5.601 1.00 0.00 O ATOM 0 H TYR B 47 0.026 -6.478 -3.153 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.235 -5.815 -0.734 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.172 -7.593 -3.026 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.212 -6.846 -1.830 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -3.120 -6.513 -4.967 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.669 -4.153 -1.730 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.273 -4.499 -6.359 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.825 -2.143 -3.124 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.262 -2.255 -6.485 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.271 -8.901 -0.950 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.145 -10.168 -0.242 1.00 0.00 C ATOM 1044 C ALA B 48 0.663 -10.023 1.049 1.00 0.00 C ATOM 1045 O ALA B 48 0.739 -10.961 1.843 1.00 0.00 O ATOM 1046 CB ALA B 48 0.495 -11.208 -1.147 1.00 0.00 C ATOM 0 H ALA B 48 0.322 -8.825 -1.776 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.148 -10.494 0.034 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.585 -12.152 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.126 -11.352 -2.031 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.485 -10.867 -1.450 1.00 0.00 H new ATOM 1052 N ASP B 49 1.275 -8.858 1.242 1.00 0.00 N ATOM 1053 CA ASP B 49 2.071 -8.578 2.429 1.00 0.00 C ATOM 1054 C ASP B 49 1.361 -7.564 3.303 1.00 0.00 C ATOM 1055 O ASP B 49 1.767 -7.303 4.439 1.00 0.00 O ATOM 1056 CB ASP B 49 3.431 -8.019 2.062 1.00 0.00 C ATOM 1057 CG ASP B 49 4.182 -8.875 1.065 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.502 -8.368 -0.028 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.446 -10.057 1.375 1.00 0.00 O ATOM 0 H ASP B 49 1.232 -8.083 0.580 1.00 0.00 H new ATOM 0 HA ASP B 49 2.202 -9.519 2.963 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.305 -7.018 1.649 1.00 0.00 H new ATOM 0 HB3 ASP B 49 4.030 -7.917 2.967 1.00 0.00 H new ATOM 1064 N ILE B 50 0.293 -6.998 2.775 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.483 -6.030 3.515 1.00 0.00 C ATOM 1066 C ILE B 50 -1.535 -6.786 4.318 1.00 0.00 C ATOM 1067 O ILE B 50 -2.236 -7.634 3.769 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.204 -5.026 2.583 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.360 -4.712 1.339 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.550 -3.752 3.335 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.642 -3.592 1.518 1.00 0.00 C ATOM 0 H ILE B 50 -0.055 -7.194 1.836 1.00 0.00 H new ATOM 0 HA ILE B 50 0.193 -5.465 4.157 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.131 -5.490 2.245 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.174 -5.615 1.042 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -1.030 -4.454 0.519 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.056 -3.059 2.663 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.206 -3.990 4.172 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.636 -3.291 3.710 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.191 -3.443 0.588 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.118 -2.673 1.782 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.340 -3.852 2.313 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.636 -6.515 5.604 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.616 -7.196 6.431 1.00 0.00 C ATOM 1085 C LYS B 51 -3.934 -6.456 6.341 1.00 0.00 C ATOM 1086 O LYS B 51 -5.002 -7.057 6.305 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.153 -7.261 7.884 1.00 0.00 C ATOM 1088 CG LYS B 51 -3.245 -7.679 8.857 1.00 0.00 C ATOM 1089 CD LYS B 51 -2.776 -7.545 10.289 1.00 0.00 C ATOM 1090 CE LYS B 51 -3.937 -7.251 11.224 1.00 0.00 C ATOM 1091 NZ LYS B 51 -4.797 -8.439 11.421 1.00 0.00 N ATOM 0 H LYS B 51 -1.058 -5.835 6.097 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.736 -8.218 6.071 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.323 -7.963 7.960 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -1.771 -6.283 8.178 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.131 -7.063 8.702 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.536 -8.711 8.661 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -2.280 -8.465 10.599 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -2.038 -6.746 10.359 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.552 -6.917 12.188 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -4.533 -6.434 10.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -5.578 -8.199 12.065 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.184 -8.743 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -4.234 -9.211 11.832 1.00 0.00 H new ATOM 1105 N CYS B 52 -3.830 -5.141 6.311 1.00 0.00 N ATOM 1106 CA CYS B 52 -4.980 -4.278 6.226 1.00 0.00 C ATOM 1107 C CYS B 52 -4.532 -2.869 5.896 1.00 0.00 C ATOM 1108 O CYS B 52 -3.335 -2.607 5.766 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.723 -4.288 7.550 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.679 -4.015 9.001 1.00 0.00 S ATOM 0 H CYS B 52 -2.939 -4.645 6.345 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.646 -4.635 5.441 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.495 -3.519 7.524 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.231 -5.246 7.659 1.00 0.00 H new ATOM 0 HG CYS B 52 -4.455 -2.742 9.141 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.476 -1.962 5.760 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.144 -0.588 5.470 1.00 0.00 C ATOM 1118 C GLN B 53 -6.080 0.353 6.215 1.00 0.00 C ATOM 1119 O GLN B 53 -7.288 0.124 6.275 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.190 -0.304 3.968 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.540 -0.575 3.325 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.269 0.697 2.943 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -6.660 1.684 2.537 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -8.582 0.685 3.083 1.00 0.00 N ATOM 0 H GLN B 53 -6.474 -2.152 5.846 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.123 -0.415 5.810 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.922 0.739 3.798 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.434 -0.912 3.471 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.398 -1.189 2.436 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.158 -1.150 4.014 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.051 -0.154 3.423 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -9.127 1.515 2.851 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.515 1.390 6.804 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.310 2.372 7.527 1.00 0.00 C ATOM 1135 C LYS B 54 -6.414 3.652 6.719 1.00 0.00 C ATOM 1136 O LYS B 54 -5.552 3.940 5.891 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.674 2.760 8.861 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.610 1.696 9.930 1.00 0.00 C ATOM 1139 CD LYS B 54 -5.295 2.360 11.261 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.700 1.407 12.288 1.00 0.00 C ATOM 1141 NZ LYS B 54 -5.351 0.066 12.280 1.00 0.00 N ATOM 0 H LYS B 54 -4.512 1.576 6.798 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.283 1.911 7.697 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.658 3.102 8.664 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -6.225 3.610 9.263 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.559 1.162 9.989 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.845 0.960 9.685 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.599 3.181 11.093 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -6.209 2.795 11.667 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -3.634 1.289 12.092 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.795 1.846 13.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -5.054 -0.469 13.121 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -6.384 0.182 12.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -5.069 -0.452 11.423 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.458 4.421 6.966 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.619 5.704 6.308 1.00 0.00 C ATOM 1157 C ILE B 55 -7.865 6.749 7.391 1.00 0.00 C ATOM 1158 O ILE B 55 -8.673 6.534 8.292 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.751 5.715 5.236 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -10.108 6.126 5.811 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.873 4.347 4.581 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.915 6.981 4.853 1.00 0.00 C ATOM 0 H ILE B 55 -8.206 4.180 7.616 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.710 5.929 5.750 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.469 6.462 4.494 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.678 5.231 6.061 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.953 6.675 6.740 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.667 4.370 3.835 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.930 4.089 4.099 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -9.109 3.600 5.339 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.868 7.243 5.313 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.361 7.891 4.622 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.097 6.424 3.934 1.00 0.00 H new ATOM 1174 N SER B 56 -7.130 7.845 7.361 1.00 0.00 N ATOM 1175 CA SER B 56 -7.301 8.864 8.374 1.00 0.00 C ATOM 1176 C SER B 56 -8.285 9.908 7.886 1.00 0.00 C ATOM 1177 O SER B 56 -8.083 10.539 6.826 1.00 0.00 O ATOM 1178 CB SER B 56 -5.970 9.496 8.770 1.00 0.00 C ATOM 1179 OG SER B 56 -5.680 10.629 7.985 1.00 0.00 O ATOM 0 H SER B 56 -6.420 8.049 6.657 1.00 0.00 H new ATOM 0 HA SER B 56 -7.703 8.394 9.272 1.00 0.00 H new ATOM 0 HB2 SER B 56 -6.000 9.780 9.822 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.171 8.762 8.660 1.00 0.00 H new ATOM 0 HG SER B 56 -5.597 11.415 8.564 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.352 10.075 8.685 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.480 10.984 8.425 1.00 0.00 C ATOM 1187 C PRO B 57 -10.138 12.463 8.520 1.00 0.00 C ATOM 1188 O PRO B 57 -9.029 12.851 8.900 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.467 10.622 9.540 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.598 10.147 10.648 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.517 9.370 9.972 1.00 0.00 C ATOM 0 HA PRO B 57 -10.846 10.859 7.406 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.063 11.484 9.841 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.165 9.848 9.220 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.189 10.982 11.217 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.154 9.525 11.349 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.595 9.372 10.554 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.800 8.327 9.827 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.116 13.277 8.141 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.000 14.721 8.188 1.00 0.00 C ATOM 1201 C GLU B 58 -10.870 15.183 9.637 1.00 0.00 C ATOM 1202 O GLU B 58 -11.240 14.465 10.566 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.220 15.380 7.529 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.284 15.203 6.014 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.341 13.747 5.588 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -11.636 13.379 4.628 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -13.065 12.964 6.233 1.00 0.00 O ATOM 0 H GLU B 58 -12.015 12.947 7.791 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.108 15.020 7.637 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.126 14.965 7.971 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.212 16.445 7.759 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.162 15.723 5.630 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.411 15.674 5.562 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.365 16.387 9.818 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.161 16.918 11.150 1.00 0.00 C ATOM 1216 C GLY B 59 -8.687 17.076 11.416 1.00 0.00 C ATOM 1217 O GLY B 59 -8.265 17.947 12.175 1.00 0.00 O ATOM 0 H GLY B 59 -10.089 17.014 9.062 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.663 17.881 11.248 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.604 16.251 11.889 1.00 0.00 H new ATOM 1221 N LYS B 60 -7.907 16.224 10.768 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.463 16.274 10.863 1.00 0.00 C ATOM 1223 C LYS B 60 -5.951 17.262 9.843 1.00 0.00 C ATOM 1224 O LYS B 60 -6.665 17.623 8.903 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.847 14.897 10.603 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.674 14.055 11.852 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.879 12.789 11.565 1.00 0.00 C ATOM 1228 CE LYS B 60 -4.189 12.251 12.812 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.727 12.862 14.057 1.00 0.00 N ATOM 0 H LYS B 60 -8.260 15.482 10.164 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.181 16.583 11.869 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.476 14.356 9.896 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.875 15.029 10.128 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.165 14.639 12.619 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.653 13.789 12.251 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.546 12.026 11.162 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.132 12.996 10.799 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.314 11.169 12.856 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -3.119 12.446 12.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.396 12.320 14.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.396 13.845 14.133 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.767 12.848 14.029 1.00 0.00 H new ATOM 1243 N ALA B 61 -4.725 17.700 10.022 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.129 18.646 9.103 1.00 0.00 C ATOM 1245 C ALA B 61 -3.742 17.956 7.818 1.00 0.00 C ATOM 1246 O ALA B 61 -3.523 18.599 6.792 1.00 0.00 O ATOM 1247 CB ALA B 61 -2.917 19.288 9.731 1.00 0.00 C ATOM 0 H ALA B 61 -4.121 17.417 10.794 1.00 0.00 H new ATOM 0 HA ALA B 61 -4.862 19.421 8.877 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -2.477 19.998 9.030 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.213 19.811 10.640 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.184 18.519 9.977 1.00 0.00 H new ATOM 1253 N LYS B 62 -3.658 16.643 7.877 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.300 15.881 6.716 1.00 0.00 C ATOM 1255 C LYS B 62 -4.204 14.666 6.556 1.00 0.00 C ATOM 1256 O LYS B 62 -4.499 13.968 7.523 1.00 0.00 O ATOM 1257 CB LYS B 62 -1.829 15.451 6.787 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.446 14.695 8.053 1.00 0.00 C ATOM 1259 CD LYS B 62 0.022 14.290 8.028 1.00 0.00 C ATOM 1260 CE LYS B 62 0.389 13.389 9.198 1.00 0.00 C ATOM 1261 NZ LYS B 62 0.229 11.945 8.873 1.00 0.00 N ATOM 0 H LYS B 62 -3.833 16.090 8.716 1.00 0.00 H new ATOM 0 HA LYS B 62 -3.435 16.518 5.842 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -1.606 14.823 5.924 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.201 16.338 6.706 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -1.639 15.319 8.925 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -2.070 13.807 8.152 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.239 13.775 7.092 1.00 0.00 H new ATOM 0 HD3 LYS B 62 0.644 15.184 8.051 1.00 0.00 H new ATOM 0 HE2 LYS B 62 1.421 13.581 9.491 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.237 13.637 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -0.450 11.514 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.123 11.845 7.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 1.148 11.466 8.959 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.683 14.449 5.343 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.508 13.290 5.049 1.00 0.00 C ATOM 1277 C ILE B 63 -4.559 12.113 4.883 1.00 0.00 C ATOM 1278 O ILE B 63 -3.585 12.218 4.144 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.356 13.514 3.778 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.521 14.458 4.088 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -6.872 12.200 3.222 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.288 15.892 3.654 1.00 0.00 C ATOM 0 H ILE B 63 -4.514 15.061 4.545 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.218 13.103 5.855 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.720 13.969 3.018 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.419 14.083 3.598 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -7.713 14.441 5.161 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.465 12.391 2.328 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.030 11.557 2.968 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.492 11.707 3.970 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.159 16.495 3.909 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.410 16.288 4.164 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.127 15.924 2.576 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.806 10.995 5.552 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.836 9.900 5.478 1.00 0.00 C ATOM 1296 C GLN B 64 -4.429 8.540 5.216 1.00 0.00 C ATOM 1297 O GLN B 64 -5.630 8.314 5.312 1.00 0.00 O ATOM 1298 CB GLN B 64 -3.018 9.788 6.762 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.511 11.099 7.312 1.00 0.00 C ATOM 1300 CD GLN B 64 -2.840 11.255 8.781 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -2.985 12.363 9.275 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -2.949 10.139 9.493 1.00 0.00 N ATOM 0 H GLN B 64 -5.629 10.820 6.129 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.217 10.172 4.623 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.630 9.304 7.523 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.165 9.135 6.576 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.432 11.159 7.173 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -2.951 11.923 6.751 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.821 9.233 9.043 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -3.161 10.188 10.490 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.538 7.660 4.822 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.832 6.272 4.585 1.00 0.00 C ATOM 1313 C LEU B 65 -2.659 5.483 5.142 1.00 0.00 C ATOM 1314 O LEU B 65 -1.565 6.026 5.227 1.00 0.00 O ATOM 1315 CB LEU B 65 -3.961 5.991 3.096 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.845 4.807 2.741 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.273 5.264 2.522 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.303 4.091 1.525 1.00 0.00 C ATOM 0 H LEU B 65 -2.561 7.901 4.654 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.774 5.996 5.058 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.357 6.881 2.606 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.966 5.818 2.686 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.842 4.102 3.572 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.895 4.406 2.268 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.650 5.729 3.433 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.303 5.987 1.707 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.947 3.245 1.283 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.275 4.779 0.680 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.295 3.732 1.734 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.849 4.246 5.555 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.723 3.487 6.076 1.00 0.00 C ATOM 1332 C GLN B 66 -1.840 2.011 5.736 1.00 0.00 C ATOM 1333 O GLN B 66 -2.908 1.412 5.848 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.564 3.696 7.592 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.317 2.709 8.464 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.957 2.827 9.935 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -2.028 1.858 10.683 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.570 4.016 10.363 1.00 0.00 N ATOM 0 H GLN B 66 -3.742 3.754 5.543 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.823 3.865 5.591 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.504 3.641 7.841 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.898 4.704 7.840 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.388 2.869 8.343 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.105 1.695 8.123 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.522 4.801 9.714 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.319 4.149 11.343 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.732 1.444 5.297 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.669 0.043 4.942 1.00 0.00 C ATOM 1349 C LEU B 67 -0.193 -0.758 6.133 1.00 0.00 C ATOM 1350 O LEU B 67 0.999 -0.813 6.415 1.00 0.00 O ATOM 1351 CB LEU B 67 0.299 -0.181 3.784 1.00 0.00 C ATOM 1352 CG LEU B 67 -0.008 0.578 2.499 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.122 0.379 1.504 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.329 0.116 1.908 1.00 0.00 C ATOM 0 H LEU B 67 0.149 1.944 5.177 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.666 -0.278 4.640 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.300 0.095 4.115 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.321 -1.247 3.556 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.094 1.640 2.728 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.899 0.923 0.586 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.053 0.753 1.931 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.227 -0.683 1.280 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.531 0.670 0.991 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.275 -0.949 1.684 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.131 0.296 2.624 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.121 -1.361 6.837 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.782 -2.161 7.992 1.00 0.00 C ATOM 1368 C VAL B 68 -0.432 -3.560 7.530 1.00 0.00 C ATOM 1369 O VAL B 68 -1.302 -4.336 7.154 1.00 0.00 O ATOM 1370 CB VAL B 68 -1.940 -2.201 8.996 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.462 -2.704 10.343 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.556 -0.823 9.133 1.00 0.00 C ATOM 0 H VAL B 68 -2.119 -1.313 6.631 1.00 0.00 H new ATOM 0 HA VAL B 68 0.073 -1.714 8.499 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.699 -2.890 8.625 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.299 -2.725 11.041 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.056 -3.710 10.233 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.687 -2.040 10.725 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.378 -0.861 9.848 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.801 -0.120 9.485 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.933 -0.495 8.164 1.00 0.00 H new ATOM 1382 N LEU B 69 0.848 -3.871 7.536 1.00 0.00 N ATOM 1383 CA LEU B 69 1.318 -5.161 7.066 1.00 0.00 C ATOM 1384 C LEU B 69 1.367 -6.189 8.178 1.00 0.00 C ATOM 1385 O LEU B 69 1.491 -5.849 9.354 1.00 0.00 O ATOM 1386 CB LEU B 69 2.708 -5.015 6.462 1.00 0.00 C ATOM 1387 CG LEU B 69 2.960 -3.687 5.763 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.396 -3.591 5.317 1.00 0.00 C ATOM 1389 CD2 LEU B 69 2.037 -3.526 4.578 1.00 0.00 C ATOM 0 H LEU B 69 1.585 -3.246 7.862 1.00 0.00 H new ATOM 0 HA LEU B 69 0.611 -5.510 6.314 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.448 -5.140 7.252 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.865 -5.822 5.747 1.00 0.00 H new ATOM 0 HG LEU B 69 2.758 -2.885 6.473 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.559 -2.635 4.819 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.052 -3.665 6.184 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.617 -4.403 4.625 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.233 -2.570 4.092 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.210 -4.336 3.869 1.00 0.00 H new ATOM 0 HD23 LEU B 69 1.001 -3.555 4.917 1.00 0.00 H new ATOM 1401 N HIS B 70 1.289 -7.456 7.793 1.00 0.00 N ATOM 1402 CA HIS B 70 1.368 -8.547 8.755 1.00 0.00 C ATOM 1403 C HIS B 70 2.829 -8.814 9.082 1.00 0.00 C ATOM 1404 O HIS B 70 3.168 -9.743 9.807 1.00 0.00 O ATOM 1405 CB HIS B 70 0.690 -9.826 8.232 1.00 0.00 C ATOM 1406 CG HIS B 70 0.679 -9.965 6.739 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.415 -9.680 5.956 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.652 -10.370 5.878 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.080 -9.911 4.686 1.00 0.00 C ATOM 1410 NE2 HIS B 70 1.159 -10.341 4.592 1.00 0.00 N ATOM 0 H HIS B 70 1.171 -7.753 6.824 1.00 0.00 H new ATOM 0 HA HIS B 70 0.833 -8.251 9.657 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.197 -10.691 8.660 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.338 -9.849 8.593 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.652 -10.667 6.158 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.740 -9.764 3.844 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.655 -10.601 3.739 1.00 0.00 H new ATOM 1418 N ALA B 71 3.685 -7.971 8.518 1.00 0.00 N ATOM 1419 CA ALA B 71 5.119 -8.053 8.720 1.00 0.00 C ATOM 1420 C ALA B 71 5.518 -7.290 9.978 1.00 0.00 C ATOM 1421 O ALA B 71 6.672 -7.319 10.397 1.00 0.00 O ATOM 1422 CB ALA B 71 5.837 -7.489 7.502 1.00 0.00 C ATOM 0 H ALA B 71 3.398 -7.208 7.905 1.00 0.00 H new ATOM 0 HA ALA B 71 5.406 -9.097 8.848 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.915 -7.551 7.654 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.562 -8.065 6.618 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.550 -6.447 7.360 1.00 0.00 H new ATOM 1428 N GLY B 72 4.543 -6.608 10.574 1.00 0.00 N ATOM 1429 CA GLY B 72 4.796 -5.837 11.774 1.00 0.00 C ATOM 1430 C GLY B 72 5.142 -4.397 11.463 1.00 0.00 C ATOM 1431 O GLY B 72 5.626 -3.667 12.326 1.00 0.00 O ATOM 0 H GLY B 72 3.579 -6.577 10.243 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.916 -5.867 12.416 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.614 -6.293 12.332 1.00 0.00 H new ATOM 1435 N ASP B 73 4.886 -3.991 10.227 1.00 0.00 N ATOM 1436 CA ASP B 73 5.182 -2.629 9.788 1.00 0.00 C ATOM 1437 C ASP B 73 3.948 -1.974 9.186 1.00 0.00 C ATOM 1438 O ASP B 73 3.036 -2.658 8.719 1.00 0.00 O ATOM 1439 CB ASP B 73 6.333 -2.627 8.770 1.00 0.00 C ATOM 1440 CG ASP B 73 6.557 -1.265 8.130 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.990 -0.334 8.841 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.293 -1.126 6.916 1.00 0.00 O ATOM 0 H ASP B 73 4.473 -4.585 9.507 1.00 0.00 H new ATOM 0 HA ASP B 73 5.487 -2.053 10.661 1.00 0.00 H new ATOM 0 HB2 ASP B 73 7.250 -2.945 9.266 1.00 0.00 H new ATOM 0 HB3 ASP B 73 6.122 -3.359 7.990 1.00 0.00 H new ATOM 1447 N THR B 74 3.918 -0.654 9.224 1.00 0.00 N ATOM 1448 CA THR B 74 2.817 0.108 8.673 1.00 0.00 C ATOM 1449 C THR B 74 3.358 1.161 7.706 1.00 0.00 C ATOM 1450 O THR B 74 4.298 1.888 8.026 1.00 0.00 O ATOM 1451 CB THR B 74 2.017 0.804 9.793 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.913 1.403 10.742 1.00 0.00 O ATOM 1453 CG2 THR B 74 1.120 -0.189 10.511 1.00 0.00 C ATOM 0 H THR B 74 4.655 -0.083 9.637 1.00 0.00 H new ATOM 0 HA THR B 74 2.153 -0.576 8.145 1.00 0.00 H new ATOM 0 HB THR B 74 1.398 1.576 9.336 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.598 1.917 10.266 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.565 0.324 11.297 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.420 -0.627 9.800 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.730 -0.977 10.953 1.00 0.00 H new ATOM 1461 N THR B 75 2.779 1.236 6.524 1.00 0.00 N ATOM 1462 CA THR B 75 3.208 2.211 5.537 1.00 0.00 C ATOM 1463 C THR B 75 2.175 3.324 5.415 1.00 0.00 C ATOM 1464 O THR B 75 1.165 3.173 4.730 1.00 0.00 O ATOM 1465 CB THR B 75 3.416 1.546 4.164 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.072 0.281 4.330 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.239 2.442 3.251 1.00 0.00 C ATOM 0 H THR B 75 2.012 0.635 6.223 1.00 0.00 H new ATOM 0 HA THR B 75 4.157 2.633 5.868 1.00 0.00 H new ATOM 0 HB THR B 75 2.441 1.389 3.704 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.058 -0.209 3.481 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.374 1.953 2.286 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.720 3.390 3.108 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.213 2.626 3.704 1.00 0.00 H new ATOM 1475 N ASN B 76 2.427 4.439 6.078 1.00 0.00 N ATOM 1476 CA ASN B 76 1.496 5.559 6.058 1.00 0.00 C ATOM 1477 C ASN B 76 1.743 6.464 4.861 1.00 0.00 C ATOM 1478 O ASN B 76 2.872 6.598 4.387 1.00 0.00 O ATOM 1479 CB ASN B 76 1.585 6.364 7.358 1.00 0.00 C ATOM 1480 CG ASN B 76 1.099 5.580 8.565 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.282 4.367 8.654 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.449 6.260 9.493 1.00 0.00 N ATOM 0 H ASN B 76 3.266 4.595 6.637 1.00 0.00 H new ATOM 0 HA ASN B 76 0.490 5.148 5.970 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.618 6.671 7.521 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.994 7.274 7.259 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.082 5.779 10.314 1.00 0.00 H new ATOM 0 HD22 ASN B 76 0.315 7.266 9.388 1.00 0.00 H new ATOM 1489 N PHE B 77 0.667 7.058 4.368 1.00 0.00 N ATOM 1490 CA PHE B 77 0.722 7.951 3.227 1.00 0.00 C ATOM 1491 C PHE B 77 -0.043 9.238 3.513 1.00 0.00 C ATOM 1492 O PHE B 77 -1.259 9.223 3.724 1.00 0.00 O ATOM 1493 CB PHE B 77 0.143 7.270 1.987 1.00 0.00 C ATOM 1494 CG PHE B 77 1.037 6.207 1.418 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.197 6.550 0.743 1.00 0.00 C ATOM 1496 CD2 PHE B 77 0.718 4.868 1.557 1.00 0.00 C ATOM 1497 CE1 PHE B 77 3.022 5.576 0.218 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.540 3.890 1.035 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.693 4.245 0.364 1.00 0.00 C ATOM 0 H PHE B 77 -0.270 6.932 4.751 1.00 0.00 H new ATOM 0 HA PHE B 77 1.767 8.198 3.041 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.820 6.827 2.241 1.00 0.00 H new ATOM 0 HB3 PHE B 77 -0.045 8.024 1.222 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.459 7.591 0.626 1.00 0.00 H new ATOM 0 HD2 PHE B 77 -0.184 4.585 2.080 1.00 0.00 H new ATOM 0 HE1 PHE B 77 3.924 5.856 -0.306 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.281 2.848 1.151 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.337 3.481 -0.046 1.00 0.00 H new ATOM 1509 N HIS B 78 0.687 10.336 3.521 1.00 0.00 N ATOM 1510 CA HIS B 78 0.134 11.657 3.764 1.00 0.00 C ATOM 1511 C HIS B 78 -0.360 12.255 2.450 1.00 0.00 C ATOM 1512 O HIS B 78 0.430 12.699 1.618 1.00 0.00 O ATOM 1513 CB HIS B 78 1.232 12.533 4.408 1.00 0.00 C ATOM 1514 CG HIS B 78 0.952 14.010 4.540 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.735 14.856 5.298 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.003 14.800 3.972 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.253 16.098 5.166 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.204 16.119 4.374 1.00 0.00 N ATOM 0 H HIS B 78 1.694 10.337 3.357 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.717 11.602 4.442 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.437 12.139 5.403 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.144 12.414 3.823 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -0.782 14.459 3.313 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.672 16.969 5.648 1.00 0.00 H new ATOM 0 HE2 HIS B 78 -0.349 16.934 4.108 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.666 12.243 2.262 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.270 12.802 1.066 1.00 0.00 C ATOM 1528 C PHE B 79 -2.273 14.324 1.179 1.00 0.00 C ATOM 1529 O PHE B 79 -3.156 14.905 1.812 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.698 12.279 0.901 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.778 10.882 0.354 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.669 9.776 1.187 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -3.976 10.677 -0.996 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.758 8.495 0.672 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.062 9.402 -1.511 1.00 0.00 C ATOM 1536 CZ PHE B 79 -3.956 8.310 -0.684 1.00 0.00 C ATOM 0 H PHE B 79 -2.333 11.850 2.926 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.694 12.502 0.190 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.199 12.308 1.869 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.245 12.950 0.238 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.513 9.917 2.246 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -4.065 11.526 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -3.673 7.641 1.328 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.214 9.260 -2.571 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.027 7.312 -1.091 1.00 0.00 H new ATOM 1546 N SER B 80 -1.281 14.966 0.581 1.00 0.00 N ATOM 1547 CA SER B 80 -1.157 16.417 0.659 1.00 0.00 C ATOM 1548 C SER B 80 -1.565 17.113 -0.638 1.00 0.00 C ATOM 1549 O SER B 80 -1.191 18.259 -0.876 1.00 0.00 O ATOM 1550 CB SER B 80 0.278 16.794 1.033 1.00 0.00 C ATOM 1551 OG SER B 80 1.213 15.842 0.538 1.00 0.00 O ATOM 0 H SER B 80 -0.550 14.508 0.037 1.00 0.00 H new ATOM 0 HA SER B 80 -1.845 16.761 1.432 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.513 17.779 0.631 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.366 16.863 2.117 1.00 0.00 H new ATOM 0 HG SER B 80 1.017 15.649 -0.403 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.324 16.427 -1.480 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.774 17.025 -2.729 1.00 0.00 C ATOM 1559 C ASN B 81 -4.120 17.708 -2.513 1.00 0.00 C ATOM 1560 O ASN B 81 -5.173 17.086 -2.610 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.855 15.981 -3.845 1.00 0.00 C ATOM 1562 CG ASN B 81 -2.913 16.612 -5.230 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.279 15.959 -6.207 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -2.545 17.882 -5.330 1.00 0.00 N ATOM 0 H ASN B 81 -2.638 15.469 -1.325 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.047 17.774 -3.043 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -1.989 15.322 -3.785 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.738 15.361 -3.694 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -2.560 18.347 -6.238 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.247 18.394 -4.499 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.050 18.999 -2.221 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.213 19.848 -1.937 1.00 0.00 C ATOM 1573 C GLU B 82 -6.404 19.616 -2.880 1.00 0.00 C ATOM 1574 O GLU B 82 -7.560 19.739 -2.468 1.00 0.00 O ATOM 1575 CB GLU B 82 -4.785 21.327 -1.982 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.438 21.863 -3.378 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.445 20.994 -4.137 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -3.786 20.538 -5.250 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -2.343 20.734 -3.608 1.00 0.00 O ATOM 0 H GLU B 82 -3.165 19.503 -2.172 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.564 19.574 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -5.589 21.934 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -3.918 21.458 -1.334 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.354 21.948 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -4.027 22.868 -3.280 1.00 0.00 H new ATOM 1586 N SER B 83 -6.127 19.273 -4.125 1.00 0.00 N ATOM 1587 CA SER B 83 -7.170 19.058 -5.111 1.00 0.00 C ATOM 1588 C SER B 83 -7.996 17.799 -4.857 1.00 0.00 C ATOM 1589 O SER B 83 -9.219 17.876 -4.679 1.00 0.00 O ATOM 1590 CB SER B 83 -6.549 19.010 -6.508 1.00 0.00 C ATOM 1591 OG SER B 83 -5.177 18.665 -6.439 1.00 0.00 O ATOM 0 H SER B 83 -5.180 19.137 -4.479 1.00 0.00 H new ATOM 0 HA SER B 83 -7.862 19.897 -5.031 1.00 0.00 H new ATOM 0 HB2 SER B 83 -7.081 18.283 -7.122 1.00 0.00 H new ATOM 0 HB3 SER B 83 -6.660 19.979 -6.994 1.00 0.00 H new ATOM 0 HG SER B 83 -4.642 19.476 -6.312 1.00 0.00 H new ATOM 1597 N THR B 84 -7.362 16.638 -4.834 1.00 0.00 N ATOM 1598 CA THR B 84 -8.114 15.406 -4.681 1.00 0.00 C ATOM 1599 C THR B 84 -7.646 14.479 -3.555 1.00 0.00 C ATOM 1600 O THR B 84 -8.143 13.368 -3.468 1.00 0.00 O ATOM 1601 CB THR B 84 -8.100 14.656 -6.024 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.756 14.559 -6.516 1.00 0.00 O ATOM 1603 CG2 THR B 84 -8.951 15.407 -7.037 1.00 0.00 C ATOM 0 H THR B 84 -6.352 16.524 -4.917 1.00 0.00 H new ATOM 0 HA THR B 84 -9.121 15.701 -4.387 1.00 0.00 H new ATOM 0 HB THR B 84 -8.504 13.655 -5.875 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.137 14.465 -5.762 1.00 0.00 H new ATOM 0 HG21 THR B 84 -8.940 14.874 -7.988 1.00 0.00 H new ATOM 0 HG22 THR B 84 -9.976 15.476 -6.672 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.548 16.410 -7.178 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.760 14.944 -2.677 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.214 14.115 -1.580 1.00 0.00 C ATOM 1613 C ALA B 85 -7.267 13.268 -0.863 1.00 0.00 C ATOM 1614 O ALA B 85 -7.089 12.065 -0.703 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.495 14.985 -0.565 1.00 0.00 C ATOM 0 H ALA B 85 -6.396 15.897 -2.696 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.517 13.423 -2.053 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.099 14.359 0.235 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.675 15.511 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.194 15.710 -0.147 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.346 13.896 -0.417 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.414 13.182 0.285 1.00 0.00 C ATOM 1623 C VAL B 86 -9.989 12.050 -0.581 1.00 0.00 C ATOM 1624 O VAL B 86 -10.064 10.902 -0.145 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.527 14.167 0.722 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -11.900 13.504 0.758 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.208 14.760 2.080 1.00 0.00 C ATOM 0 H VAL B 86 -8.509 14.897 -0.526 1.00 0.00 H new ATOM 0 HA VAL B 86 -8.987 12.727 1.179 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.560 14.961 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -12.648 14.233 1.070 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.150 13.130 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -11.885 12.675 1.465 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.000 15.450 2.371 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.133 13.961 2.818 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.261 15.297 2.029 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.348 12.376 -1.818 1.00 0.00 N ATOM 1638 CA LYS B 87 -10.904 11.394 -2.754 1.00 0.00 C ATOM 1639 C LYS B 87 -9.834 10.378 -3.128 1.00 0.00 C ATOM 1640 O LYS B 87 -10.125 9.208 -3.359 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.416 12.106 -4.011 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.217 13.370 -3.722 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.633 14.580 -4.439 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.346 15.867 -4.045 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.791 17.056 -4.755 1.00 0.00 N ATOM 0 H LYS B 87 -10.265 13.318 -2.201 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.736 10.875 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.566 12.363 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.039 11.415 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.251 13.225 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.231 13.555 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.572 14.665 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.710 14.437 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.409 15.775 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.258 16.015 -2.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.171 17.924 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.754 17.055 -4.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -12.061 17.018 -5.759 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.597 10.844 -3.191 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.464 9.995 -3.499 1.00 0.00 C ATOM 1661 C GLU B 88 -7.294 8.970 -2.387 1.00 0.00 C ATOM 1662 O GLU B 88 -7.107 7.787 -2.652 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.209 10.851 -3.696 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.012 11.279 -5.142 1.00 0.00 C ATOM 1665 CD GLU B 88 -4.945 12.339 -5.316 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -5.135 13.466 -4.823 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -3.931 12.068 -5.990 1.00 0.00 O ATOM 0 H GLU B 88 -8.353 11.821 -3.030 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.634 9.456 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.276 11.737 -3.065 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.335 10.289 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.747 10.406 -5.738 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -6.957 11.657 -5.533 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.397 9.436 -1.139 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.312 8.560 0.027 1.00 0.00 C ATOM 1676 C ARG B 89 -8.367 7.486 -0.108 1.00 0.00 C ATOM 1677 O ARG B 89 -8.112 6.296 0.063 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.579 9.351 1.313 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.549 8.513 2.579 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.414 9.135 3.667 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.726 9.546 3.157 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.424 10.583 3.624 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -9.977 11.292 4.653 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.588 10.900 3.074 1.00 0.00 N ATOM 0 H ARG B 89 -7.540 10.420 -0.913 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.314 8.125 0.079 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -6.836 10.144 1.399 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.553 9.833 1.233 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.902 7.505 2.361 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.523 8.421 2.934 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.548 8.419 4.477 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.901 10.000 4.088 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.132 9.003 2.395 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.091 11.046 5.095 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.519 12.083 5.001 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -11.950 10.351 2.294 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.122 11.693 3.431 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.554 7.950 -0.442 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.706 7.101 -0.625 1.00 0.00 C ATOM 1700 C ASP B 90 -10.530 6.108 -1.763 1.00 0.00 C ATOM 1701 O ASP B 90 -10.883 4.948 -1.611 1.00 0.00 O ATOM 1702 CB ASP B 90 -11.942 7.973 -0.817 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.623 8.241 0.506 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -12.427 9.334 1.075 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -13.321 7.326 0.999 1.00 0.00 O ATOM 0 H ASP B 90 -9.745 8.940 -0.595 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.830 6.493 0.271 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.658 8.917 -1.282 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.638 7.480 -1.496 1.00 0.00 H new ATOM 1710 N ALA B 91 -9.965 6.545 -2.876 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.750 5.658 -4.021 1.00 0.00 C ATOM 1712 C ALA B 91 -8.686 4.606 -3.714 1.00 0.00 C ATOM 1713 O ALA B 91 -8.842 3.445 -4.087 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.375 6.465 -5.253 1.00 0.00 C ATOM 0 H ALA B 91 -9.646 7.504 -3.017 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.684 5.133 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.218 5.791 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.179 7.162 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.458 7.021 -5.058 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.600 5.008 -3.045 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.557 4.055 -2.663 1.00 0.00 C ATOM 1722 C VAL B 92 -7.193 3.047 -1.718 1.00 0.00 C ATOM 1723 O VAL B 92 -7.003 1.843 -1.842 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.363 4.734 -1.961 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.253 3.729 -1.703 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.832 5.887 -2.788 1.00 0.00 C ATOM 0 H VAL B 92 -7.423 5.972 -2.761 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.163 3.582 -3.563 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.716 5.125 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.420 4.227 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.628 2.928 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.914 3.310 -2.650 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -3.991 6.349 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.502 5.517 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.620 6.626 -2.930 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.989 3.585 -0.798 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.730 2.799 0.180 1.00 0.00 C ATOM 1738 C LYS B 93 -9.643 1.810 -0.528 1.00 0.00 C ATOM 1739 O LYS B 93 -9.618 0.610 -0.267 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.581 3.749 1.034 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.726 3.077 1.785 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.890 4.037 2.008 1.00 0.00 C ATOM 1743 CE LYS B 93 -13.044 3.768 1.045 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.182 4.835 0.015 1.00 0.00 N ATOM 0 H LYS B 93 -8.138 4.590 -0.711 1.00 0.00 H new ATOM 0 HA LYS B 93 -8.030 2.249 0.809 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.933 4.246 1.756 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -9.993 4.525 0.389 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -11.071 2.210 1.223 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.366 2.711 2.746 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.245 3.945 3.034 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.544 5.063 1.882 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.887 2.809 0.552 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -13.973 3.688 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.922 4.567 -0.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.442 5.730 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.278 4.953 -0.486 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.439 2.353 -1.434 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.399 1.593 -2.215 1.00 0.00 C ATOM 1760 C ASP B 94 -10.727 0.475 -2.993 1.00 0.00 C ATOM 1761 O ASP B 94 -11.103 -0.689 -2.875 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.132 2.546 -3.164 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.387 3.115 -2.533 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -14.144 2.344 -1.912 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -13.598 4.342 -2.618 1.00 0.00 O ATOM 0 H ASP B 94 -10.436 3.350 -1.650 1.00 0.00 H new ATOM 0 HA ASP B 94 -12.113 1.125 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.466 3.361 -3.446 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.394 2.016 -4.080 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.715 0.834 -3.760 1.00 0.00 N ATOM 1771 CA LEU B 95 -8.981 -0.130 -4.564 1.00 0.00 C ATOM 1772 C LEU B 95 -8.274 -1.151 -3.682 1.00 0.00 C ATOM 1773 O LEU B 95 -8.216 -2.317 -4.028 1.00 0.00 O ATOM 1774 CB LEU B 95 -7.973 0.594 -5.458 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.538 -0.174 -6.706 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.725 -0.419 -7.626 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.442 0.584 -7.438 1.00 0.00 C ATOM 0 H LEU B 95 -9.379 1.793 -3.845 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.692 -0.666 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.405 1.545 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.087 0.825 -4.866 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.142 -1.141 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.394 -0.967 -8.508 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.480 -1.002 -7.099 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.152 0.536 -7.931 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.143 0.025 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.814 1.564 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.582 0.707 -6.779 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.758 -0.721 -2.538 1.00 0.00 N ATOM 1790 CA LEU B 96 -7.068 -1.634 -1.627 1.00 0.00 C ATOM 1791 C LEU B 96 -8.061 -2.586 -0.976 1.00 0.00 C ATOM 1792 O LEU B 96 -7.812 -3.776 -0.911 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.304 -0.868 -0.548 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.949 -0.318 -0.984 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.401 0.631 0.068 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.966 -1.447 -1.234 1.00 0.00 C ATOM 0 H LEU B 96 -7.802 0.246 -2.218 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.351 -2.208 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.923 -0.039 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -6.154 -1.527 0.307 1.00 0.00 H new ATOM 0 HG LEU B 96 -5.087 0.231 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.434 1.015 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -5.094 1.461 0.205 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.281 0.098 1.011 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -3.007 -1.032 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.833 -2.023 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.351 -2.097 -2.020 1.00 0.00 H new ATOM 1808 N GLN B 97 -9.195 -2.071 -0.506 1.00 0.00 N ATOM 1809 CA GLN B 97 -10.212 -2.928 0.113 1.00 0.00 C ATOM 1810 C GLN B 97 -10.728 -3.927 -0.915 1.00 0.00 C ATOM 1811 O GLN B 97 -11.295 -4.965 -0.586 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.384 -2.102 0.652 1.00 0.00 C ATOM 1813 CG GLN B 97 -11.071 -1.332 1.924 1.00 0.00 C ATOM 1814 CD GLN B 97 -10.489 -2.207 3.018 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -9.692 -1.742 3.829 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -10.889 -3.470 3.053 1.00 0.00 N ATOM 0 H GLN B 97 -9.434 -1.080 -0.539 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.751 -3.453 0.949 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.701 -1.398 -0.117 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -12.226 -2.768 0.842 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.368 -0.531 1.694 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.983 -0.860 2.290 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.553 -3.814 2.359 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -10.533 -4.098 3.774 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.532 -3.565 -2.165 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.925 -4.372 -3.299 1.00 0.00 C ATOM 1827 C GLN B 98 -9.842 -5.378 -3.660 1.00 0.00 C ATOM 1828 O GLN B 98 -10.097 -6.563 -3.880 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.149 -3.436 -4.486 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.571 -2.934 -4.618 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.194 -3.315 -5.942 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -12.873 -4.357 -6.520 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.084 -2.470 -6.437 1.00 0.00 N ATOM 0 H GLN B 98 -10.087 -2.685 -2.426 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.831 -4.924 -3.050 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.480 -2.580 -4.391 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.872 -3.957 -5.403 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -13.174 -3.339 -3.805 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.582 -1.849 -4.513 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.320 -1.620 -5.925 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -14.534 -2.669 -7.330 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.638 -4.865 -3.725 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.456 -5.608 -4.117 1.00 0.00 C ATOM 1844 C LEU B 99 -6.826 -6.454 -3.007 1.00 0.00 C ATOM 1845 O LEU B 99 -6.512 -7.623 -3.229 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.450 -4.588 -4.639 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.578 -4.289 -6.133 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.798 -3.038 -6.497 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.110 -5.475 -6.960 1.00 0.00 C ATOM 0 H LEU B 99 -8.443 -3.889 -3.501 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.752 -6.336 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.570 -3.659 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.443 -4.952 -4.438 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.630 -4.112 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.902 -2.842 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.187 -2.190 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.745 -3.183 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.209 -5.241 -8.020 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.066 -5.688 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.719 -6.347 -6.722 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.663 -5.878 -1.823 1.00 0.00 N ATOM 1862 CA LEU B 100 -6.014 -6.566 -0.706 1.00 0.00 C ATOM 1863 C LEU B 100 -6.610 -7.943 -0.398 1.00 0.00 C ATOM 1864 O LEU B 100 -5.888 -8.932 -0.450 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.993 -5.689 0.546 1.00 0.00 C ATOM 1866 CG LEU B 100 -4.993 -4.546 0.466 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.965 -3.735 1.746 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.614 -5.078 0.169 1.00 0.00 C ATOM 0 H LEU B 100 -6.972 -4.930 -1.607 1.00 0.00 H new ATOM 0 HA LEU B 100 -4.988 -6.747 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.990 -5.279 0.710 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.757 -6.309 1.411 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.311 -3.888 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.239 -2.928 1.650 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.953 -3.314 1.931 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.683 -4.379 2.579 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.908 -4.249 0.114 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.310 -5.762 0.961 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.626 -5.608 -0.784 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.921 -8.049 -0.091 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.554 -9.343 0.232 1.00 0.00 C ATOM 1882 C PRO B 101 -8.355 -10.415 -0.844 1.00 0.00 C ATOM 1883 O PRO B 101 -8.483 -11.608 -0.567 1.00 0.00 O ATOM 1884 CB PRO B 101 -10.038 -8.991 0.361 1.00 0.00 C ATOM 1885 CG PRO B 101 -10.045 -7.553 0.735 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.893 -6.940 -0.006 1.00 0.00 C ATOM 0 HA PRO B 101 -8.114 -9.779 1.129 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.570 -9.161 -0.575 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.527 -9.602 1.120 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.987 -7.080 0.457 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -9.931 -7.427 1.812 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.191 -6.588 -0.994 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.481 -6.083 0.527 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.029 -9.993 -2.060 1.00 0.00 N ATOM 1895 CA LYS B 102 -7.822 -10.926 -3.161 1.00 0.00 C ATOM 1896 C LYS B 102 -6.393 -11.472 -3.167 1.00 0.00 C ATOM 1897 O LYS B 102 -6.126 -12.525 -3.743 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.127 -10.252 -4.504 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.601 -9.934 -4.713 1.00 0.00 C ATOM 1900 CD LYS B 102 -9.940 -9.795 -6.192 1.00 0.00 C ATOM 1901 CE LYS B 102 -9.557 -8.427 -6.739 1.00 0.00 C ATOM 1902 NZ LYS B 102 -10.544 -7.378 -6.359 1.00 0.00 N ATOM 0 H LYS B 102 -7.902 -9.012 -2.308 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.508 -11.761 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.552 -9.328 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.787 -10.901 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.210 -10.723 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.852 -9.009 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.421 -10.569 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -11.008 -9.957 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.571 -8.150 -6.365 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.483 -8.479 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -10.246 -6.462 -6.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -11.480 -7.628 -6.737 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -10.597 -7.310 -5.323 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.479 -10.754 -2.526 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.081 -11.173 -2.476 1.00 0.00 C ATOM 1918 C PHE B 103 -3.674 -11.581 -1.065 1.00 0.00 C ATOM 1919 O PHE B 103 -2.657 -12.249 -0.873 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.168 -10.050 -2.971 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.268 -9.789 -4.448 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -4.258 -8.961 -4.952 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -2.372 -10.369 -5.331 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -4.352 -8.717 -6.307 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -2.461 -10.128 -6.689 1.00 0.00 C ATOM 1926 CZ PHE B 103 -3.454 -9.300 -7.177 1.00 0.00 C ATOM 0 H PHE B 103 -5.678 -9.882 -2.035 1.00 0.00 H new ATOM 0 HA PHE B 103 -3.974 -12.039 -3.129 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.411 -9.134 -2.433 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.136 -10.300 -2.725 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.964 -8.501 -4.277 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.595 -11.017 -4.954 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -5.129 -8.070 -6.686 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -1.756 -10.586 -7.367 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.527 -9.110 -8.238 1.00 0.00 H new