USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=28 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 98 GLN : amide:sc= -0.652 K(o=0.59,f=-0.24) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -148:sc= 1.24 (180deg=0.127) USER MOD Set 2.1: B 13 LYS NZ :NH3+ 144:sc= 0.801 (180deg=-3.74!) USER MOD Set 2.2: B 81 ASN : amide:sc= 0.147 K(o=3,f=-7.9!) USER MOD Set 2.3: B 83 SER OG : rot -30:sc= 0.798 USER MOD Set 2.4: B 84 THR OG1 : rot 33:sc= 1.26 USER MOD Set 3.1: B 66 GLN : amide:sc= -0.914 K(o=-8.6,f=-9.6!) USER MOD Set 3.2: B 76 ASN : amide:sc= -7.71! C(o=-8.6!,f=-9.6!) USER MOD Set 4.1: B 56 SER OG : rot 160:sc= -0.697 USER MOD Set 4.2: B 64 GLN :FLIP amide:sc= 0.582 F(o=-3.1!,f=-0.12) USER MOD Set 5.1: B 53 GLN : amide:sc= -3.89! C(o=-4.1!,f=-8.1!) USER MOD Set 5.2: B 97 GLN : amide:sc= -0.183 K(o=-4.1,f=-8.7) USER MOD Single : A 404 ASN :FLIP amide:sc= -0.0549 F(o=-1.1,f=-0.055) USER MOD Single : B 14 LYS NZ :NH3+ -170:sc= 0.656 (180deg=0.155!) USER MOD Single : B 17 GLN : amide:sc= -1.86! C(o=-1.9!,f=-4.8!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0465) USER MOD Single : B 20 GLN : amide:sc= 0.969 K(o=0.97,f=-0.0039) USER MOD Single : B 25 TYR OH : rot 180:sc= -0.0229 USER MOD Single : B 27 MET CE :methyl 161:sc= 0 (180deg=-0.515) USER MOD Single : B 38 LYS NZ :NH3+ 171:sc= 1.08 (180deg=1.01) USER MOD Single : B 42 THR OG1 : rot 121:sc= -0.506 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-3.8!) USER MOD Single : B 46 MET CE :methyl -159:sc= -0.0908 (180deg=-0.517) USER MOD Single : B 47 TYR OH : rot -51:sc= 1.26 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 180:sc= -3.57! USER MOD Single : B 54 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.148) USER MOD Single : B 60 LYS NZ :NH3+ 168:sc= 2.78 (180deg=1.78) USER MOD Single : B 62 LYS NZ :NH3+ -112:sc= 1.28 (180deg=-1.17) USER MOD Single : B 70 HIS : no HE2:sc= -5.94! C(o=-5.9!,f=-10!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HE2:sc= -0.85 K(o=-0.85,f=-2.8) USER MOD Single : B 80 SER OG : rot 35:sc= 0.787 USER MOD Single : B 87 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.21) USER MOD Single : B 93 LYS NZ :NH3+ -175:sc= 2.37 (180deg=2.03) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.498 12.894 11.586 1.00 0.00 N ATOM 102 CA GLU A 399 0.389 12.850 12.531 1.00 0.00 C ATOM 103 C GLU A 399 -0.523 11.698 12.169 1.00 0.00 C ATOM 104 O GLU A 399 -1.335 11.798 11.258 1.00 0.00 O ATOM 105 CB GLU A 399 -0.357 14.176 12.480 1.00 0.00 C ATOM 106 CG GLU A 399 -1.411 14.339 13.549 1.00 0.00 C ATOM 107 CD GLU A 399 -2.202 15.615 13.361 1.00 0.00 C ATOM 108 OE1 GLU A 399 -1.638 16.588 12.810 1.00 0.00 O ATOM 109 OE2 GLU A 399 -3.393 15.635 13.727 1.00 0.00 O ATOM 0 HA GLU A 399 0.755 12.696 13.546 1.00 0.00 H new ATOM 0 HB2 GLU A 399 0.364 14.989 12.571 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.829 14.276 11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -2.087 13.484 13.527 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -0.937 14.345 14.530 1.00 0.00 H new ATOM 116 N ASP A 400 -0.402 10.610 12.895 1.00 0.00 N ATOM 117 CA ASP A 400 -1.166 9.420 12.585 1.00 0.00 C ATOM 118 C ASP A 400 -1.762 8.758 13.818 1.00 0.00 C ATOM 119 O ASP A 400 -1.143 7.890 14.431 1.00 0.00 O ATOM 120 CB ASP A 400 -0.242 8.437 11.880 1.00 0.00 C ATOM 121 CG ASP A 400 1.225 8.668 12.234 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.975 9.158 11.365 1.00 0.00 O ATOM 123 OD2 ASP A 400 1.619 8.394 13.390 1.00 0.00 O ATOM 0 H ASP A 400 0.216 10.523 13.702 1.00 0.00 H new ATOM 0 HA ASP A 400 -2.004 9.712 11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -0.523 7.419 12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.372 8.528 10.802 1.00 0.00 H new ATOM 128 N ASP A 401 -2.961 9.166 14.180 1.00 0.00 N ATOM 129 CA ASP A 401 -3.630 8.589 15.348 1.00 0.00 C ATOM 130 C ASP A 401 -5.123 8.348 15.123 1.00 0.00 C ATOM 131 O ASP A 401 -5.624 7.269 15.430 1.00 0.00 O ATOM 132 CB ASP A 401 -3.407 9.463 16.590 1.00 0.00 C ATOM 133 CG ASP A 401 -4.023 10.848 16.466 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.064 11.388 15.335 1.00 0.00 O ATOM 135 OD2 ASP A 401 -4.463 11.398 17.491 1.00 0.00 O ATOM 0 H ASP A 401 -3.495 9.887 13.694 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.176 7.612 15.512 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -3.830 8.961 17.460 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.336 9.563 16.768 1.00 0.00 H new ATOM 140 N ASP A 402 -5.829 9.333 14.570 1.00 0.00 N ATOM 141 CA ASP A 402 -7.268 9.204 14.312 1.00 0.00 C ATOM 142 C ASP A 402 -7.526 8.269 13.142 1.00 0.00 C ATOM 143 O ASP A 402 -8.654 8.147 12.657 1.00 0.00 O ATOM 144 CB ASP A 402 -7.905 10.569 14.034 1.00 0.00 C ATOM 145 CG ASP A 402 -7.183 11.363 12.963 1.00 0.00 C ATOM 146 OD1 ASP A 402 -7.184 12.607 13.055 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.586 10.755 12.044 1.00 0.00 O ATOM 0 H ASP A 402 -5.431 10.230 14.291 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.724 8.784 15.208 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -8.942 10.423 13.731 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -7.921 11.149 14.957 1.00 0.00 H new ATOM 152 N PHE A 403 -6.464 7.610 12.713 1.00 0.00 N ATOM 153 CA PHE A 403 -6.495 6.679 11.626 1.00 0.00 C ATOM 154 C PHE A 403 -7.619 5.663 11.807 1.00 0.00 C ATOM 155 O PHE A 403 -7.646 4.923 12.787 1.00 0.00 O ATOM 156 CB PHE A 403 -5.157 5.985 11.599 1.00 0.00 C ATOM 157 CG PHE A 403 -4.307 6.329 10.440 1.00 0.00 C ATOM 158 CD1 PHE A 403 -3.042 6.838 10.625 1.00 0.00 C ATOM 159 CD2 PHE A 403 -4.760 6.092 9.166 1.00 0.00 C ATOM 160 CE1 PHE A 403 -2.240 7.103 9.544 1.00 0.00 C ATOM 161 CE2 PHE A 403 -3.970 6.362 8.082 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.708 6.864 8.271 1.00 0.00 C ATOM 0 H PHE A 403 -5.539 7.718 13.129 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.684 7.199 10.687 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.617 6.230 12.514 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -5.321 4.907 11.605 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -2.679 7.029 11.624 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -5.751 5.688 9.018 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -1.245 7.498 9.691 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -4.338 6.181 7.083 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.079 7.073 7.418 1.00 0.00 H new ATOM 172 N ASN A 404 -8.530 5.630 10.853 1.00 0.00 N ATOM 173 CA ASN A 404 -9.670 4.725 10.910 1.00 0.00 C ATOM 174 C ASN A 404 -9.241 3.316 10.559 1.00 0.00 C ATOM 175 O ASN A 404 -8.545 3.095 9.568 1.00 0.00 O ATOM 176 CB ASN A 404 -10.787 5.188 9.973 1.00 0.00 C ATOM 177 CG ASN A 404 -11.739 6.167 10.636 1.00 0.00 C ATOM 178 OD1 ASN A 404 -11.227 6.979 11.549 1.00 0.00 O flip ATOM 179 ND2 ASN A 404 -12.927 6.199 10.326 1.00 0.00 N flip ATOM 0 H ASN A 404 -8.505 6.222 10.023 1.00 0.00 H new ATOM 0 HA ASN A 404 -10.057 4.733 11.929 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.347 5.656 9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.348 4.320 9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -13.287 5.559 9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -13.554 6.866 10.776 1.00 0.00 H new ATOM 361 N VAL B 8 -0.329 0.443 -14.086 1.00 0.00 N ATOM 362 CA VAL B 8 -0.792 1.276 -12.983 1.00 0.00 C ATOM 363 C VAL B 8 -2.286 1.525 -13.110 1.00 0.00 C ATOM 364 O VAL B 8 -2.753 2.044 -14.125 1.00 0.00 O ATOM 365 CB VAL B 8 -0.036 2.621 -12.928 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.726 3.594 -11.985 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.401 2.395 -12.494 1.00 0.00 C ATOM 0 HA VAL B 8 -0.589 0.741 -12.055 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.040 3.057 -13.927 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.174 4.534 -11.964 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.743 3.778 -12.332 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.757 3.169 -10.982 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.925 3.350 -12.459 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.415 1.937 -11.505 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.897 1.735 -13.206 1.00 0.00 H new ATOM 377 N LEU B 9 -3.028 1.146 -12.083 1.00 0.00 N ATOM 378 CA LEU B 9 -4.470 1.325 -12.081 1.00 0.00 C ATOM 379 C LEU B 9 -4.851 2.665 -11.466 1.00 0.00 C ATOM 380 O LEU B 9 -5.871 3.255 -11.820 1.00 0.00 O ATOM 381 CB LEU B 9 -5.153 0.197 -11.297 1.00 0.00 C ATOM 382 CG LEU B 9 -4.844 -1.227 -11.769 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.588 -2.241 -10.914 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.206 -1.394 -13.237 1.00 0.00 C ATOM 0 H LEU B 9 -2.655 0.712 -11.239 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.807 1.301 -13.117 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -4.865 0.283 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.231 0.349 -11.344 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.774 -1.403 -11.660 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.358 -3.248 -11.262 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.279 -2.137 -9.874 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.661 -2.066 -10.993 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.979 -2.412 -13.554 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.270 -1.200 -13.374 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.629 -0.690 -13.836 1.00 0.00 H new ATOM 396 N LEU B 10 -4.029 3.147 -10.545 1.00 0.00 N ATOM 397 CA LEU B 10 -4.313 4.404 -9.869 1.00 0.00 C ATOM 398 C LEU B 10 -3.070 5.259 -9.671 1.00 0.00 C ATOM 399 O LEU B 10 -2.046 4.777 -9.194 1.00 0.00 O ATOM 400 CB LEU B 10 -4.921 4.101 -8.509 1.00 0.00 C ATOM 401 CG LEU B 10 -5.384 5.326 -7.717 1.00 0.00 C ATOM 402 CD1 LEU B 10 -6.829 5.672 -8.016 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.202 5.095 -6.235 1.00 0.00 C ATOM 0 H LEU B 10 -3.166 2.690 -10.250 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.001 4.968 -10.499 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -5.773 3.435 -8.649 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.187 3.558 -7.913 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.767 6.169 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.121 6.547 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -6.939 5.889 -9.079 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.467 4.830 -7.750 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.536 5.975 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -5.790 4.230 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.149 4.912 -6.022 1.00 0.00 H new ATOM 415 N ILE B 11 -3.172 6.530 -10.032 1.00 0.00 N ATOM 416 CA ILE B 11 -2.075 7.465 -9.850 1.00 0.00 C ATOM 417 C ILE B 11 -2.487 8.528 -8.848 1.00 0.00 C ATOM 418 O ILE B 11 -3.488 9.219 -9.039 1.00 0.00 O ATOM 419 CB ILE B 11 -1.639 8.159 -11.155 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.218 7.123 -12.201 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.495 9.128 -10.861 1.00 0.00 C ATOM 422 CD1 ILE B 11 -0.975 7.708 -13.576 1.00 0.00 C ATOM 0 H ILE B 11 -4.007 6.937 -10.454 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.224 6.885 -9.493 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.482 8.719 -11.560 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.309 6.626 -11.862 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.991 6.358 -12.273 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.187 9.618 -11.784 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -0.829 9.879 -10.145 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.349 8.579 -10.443 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.681 6.914 -14.262 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.889 8.180 -13.937 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.180 8.452 -13.520 1.00 0.00 H new ATOM 434 N VAL B 12 -1.719 8.650 -7.790 1.00 0.00 N ATOM 435 CA VAL B 12 -1.992 9.610 -6.747 1.00 0.00 C ATOM 436 C VAL B 12 -0.888 10.645 -6.719 1.00 0.00 C ATOM 437 O VAL B 12 0.256 10.355 -7.067 1.00 0.00 O ATOM 438 CB VAL B 12 -2.103 8.929 -5.377 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.741 9.853 -4.363 1.00 0.00 C ATOM 440 CG2 VAL B 12 -2.895 7.638 -5.492 1.00 0.00 C ATOM 0 H VAL B 12 -0.885 8.085 -7.629 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.947 10.090 -6.960 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.097 8.692 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.808 9.346 -3.400 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.134 10.752 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.741 10.127 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.965 7.166 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.897 7.857 -5.862 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.392 6.963 -6.185 1.00 0.00 H new ATOM 450 N LYS B 13 -1.224 11.845 -6.312 1.00 0.00 N ATOM 451 CA LYS B 13 -0.260 12.925 -6.278 1.00 0.00 C ATOM 452 C LYS B 13 0.007 13.385 -4.862 1.00 0.00 C ATOM 453 O LYS B 13 -0.660 12.937 -3.937 1.00 0.00 O ATOM 454 CB LYS B 13 -0.756 14.081 -7.131 1.00 0.00 C ATOM 455 CG LYS B 13 -0.802 13.735 -8.604 1.00 0.00 C ATOM 456 CD LYS B 13 -2.014 14.338 -9.290 1.00 0.00 C ATOM 457 CE LYS B 13 -3.303 13.591 -8.957 1.00 0.00 C ATOM 458 NZ LYS B 13 -3.940 14.073 -7.697 1.00 0.00 N ATOM 0 H LYS B 13 -2.160 12.102 -5.998 1.00 0.00 H new ATOM 0 HA LYS B 13 0.682 12.557 -6.684 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -1.752 14.373 -6.798 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.105 14.943 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.106 14.094 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.820 12.652 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.115 15.382 -8.992 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -1.860 14.328 -10.369 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.007 13.705 -9.781 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -3.088 12.526 -8.866 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.975 14.044 -7.798 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.652 13.461 -6.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.638 15.050 -7.507 1.00 0.00 H new ATOM 472 N LYS B 14 0.933 14.343 -4.750 1.00 0.00 N ATOM 473 CA LYS B 14 1.387 14.926 -3.476 1.00 0.00 C ATOM 474 C LYS B 14 1.059 14.058 -2.262 1.00 0.00 C ATOM 475 O LYS B 14 0.159 14.362 -1.478 1.00 0.00 O ATOM 476 CB LYS B 14 0.775 16.316 -3.294 1.00 0.00 C ATOM 477 CG LYS B 14 1.605 17.431 -3.899 1.00 0.00 C ATOM 478 CD LYS B 14 2.273 18.268 -2.821 1.00 0.00 C ATOM 479 CE LYS B 14 3.700 18.627 -3.201 1.00 0.00 C ATOM 480 NZ LYS B 14 4.533 17.418 -3.410 1.00 0.00 N ATOM 0 H LYS B 14 1.401 14.747 -5.561 1.00 0.00 H new ATOM 0 HA LYS B 14 2.474 14.991 -3.533 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.217 16.328 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.644 16.509 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.364 17.007 -4.556 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.970 18.067 -4.515 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.698 19.180 -2.658 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.273 17.719 -1.880 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.694 19.227 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.142 19.242 -2.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.531 17.696 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.424 16.777 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.229 16.933 -4.278 1.00 0.00 H new ATOM 494 N VAL B 15 1.802 12.970 -2.140 1.00 0.00 N ATOM 495 CA VAL B 15 1.649 12.028 -1.044 1.00 0.00 C ATOM 496 C VAL B 15 2.993 11.825 -0.361 1.00 0.00 C ATOM 497 O VAL B 15 3.992 11.572 -1.029 1.00 0.00 O ATOM 498 CB VAL B 15 1.111 10.660 -1.532 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.310 9.581 -0.478 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.358 10.759 -1.898 1.00 0.00 C ATOM 0 H VAL B 15 2.533 12.714 -2.804 1.00 0.00 H new ATOM 0 HA VAL B 15 0.925 12.444 -0.344 1.00 0.00 H new ATOM 0 HB VAL B 15 1.679 10.383 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.922 8.633 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.373 9.478 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.778 9.858 0.432 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.715 9.787 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.930 11.070 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.486 11.491 -2.695 1.00 0.00 H new ATOM 510 N ARG B 16 3.028 11.955 0.957 1.00 0.00 N ATOM 511 CA ARG B 16 4.265 11.772 1.694 1.00 0.00 C ATOM 512 C ARG B 16 4.337 10.389 2.318 1.00 0.00 C ATOM 513 O ARG B 16 3.322 9.819 2.717 1.00 0.00 O ATOM 514 CB ARG B 16 4.434 12.831 2.786 1.00 0.00 C ATOM 515 CG ARG B 16 4.566 14.241 2.251 1.00 0.00 C ATOM 516 CD ARG B 16 3.308 15.054 2.494 1.00 0.00 C ATOM 517 NE ARG B 16 3.326 15.709 3.800 1.00 0.00 N ATOM 518 CZ ARG B 16 3.798 16.936 4.003 1.00 0.00 C ATOM 519 NH1 ARG B 16 4.306 17.629 2.984 1.00 0.00 N ATOM 520 NH2 ARG B 16 3.775 17.469 5.223 1.00 0.00 N ATOM 0 H ARG B 16 2.218 12.185 1.533 1.00 0.00 H new ATOM 0 HA ARG B 16 5.076 11.880 0.974 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.578 12.786 3.459 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.318 12.592 3.378 1.00 0.00 H new ATOM 0 HG2 ARG B 16 5.415 14.733 2.727 1.00 0.00 H new ATOM 0 HG3 ARG B 16 4.776 14.206 1.182 1.00 0.00 H new ATOM 0 HD2 ARG B 16 3.205 15.806 1.712 1.00 0.00 H new ATOM 0 HD3 ARG B 16 2.436 14.403 2.426 1.00 0.00 H new ATOM 0 HE ARG B 16 2.956 15.197 4.601 1.00 0.00 H new ATOM 0 HH11 ARG B 16 4.332 17.218 2.051 1.00 0.00 H new ATOM 0 HH12 ARG B 16 4.668 18.570 3.138 1.00 0.00 H new ATOM 0 HH21 ARG B 16 3.395 16.936 6.005 1.00 0.00 H new ATOM 0 HH22 ARG B 16 4.138 18.410 5.375 1.00 0.00 H new ATOM 534 N GLN B 17 5.542 9.852 2.364 1.00 0.00 N ATOM 535 CA GLN B 17 5.791 8.556 2.962 1.00 0.00 C ATOM 536 C GLN B 17 6.992 8.675 3.886 1.00 0.00 C ATOM 537 O GLN B 17 8.133 8.740 3.428 1.00 0.00 O ATOM 538 CB GLN B 17 6.053 7.499 1.887 1.00 0.00 C ATOM 539 CG GLN B 17 5.576 6.099 2.254 1.00 0.00 C ATOM 540 CD GLN B 17 6.103 5.617 3.594 1.00 0.00 C ATOM 541 OE1 GLN B 17 7.187 5.042 3.683 1.00 0.00 O ATOM 542 NE2 GLN B 17 5.331 5.843 4.641 1.00 0.00 N ATOM 0 H GLN B 17 6.376 10.303 1.987 1.00 0.00 H new ATOM 0 HA GLN B 17 4.913 8.242 3.526 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.562 7.807 0.964 1.00 0.00 H new ATOM 0 HB3 GLN B 17 7.123 7.463 1.682 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.486 6.088 2.275 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.887 5.401 1.477 1.00 0.00 H new ATOM 0 HE21 GLN B 17 4.439 6.324 4.523 1.00 0.00 H new ATOM 0 HE22 GLN B 17 5.627 5.537 5.568 1.00 0.00 H new ATOM 551 N LYS B 18 6.717 8.727 5.182 1.00 0.00 N ATOM 552 CA LYS B 18 7.751 8.844 6.202 1.00 0.00 C ATOM 553 C LYS B 18 8.584 10.110 5.993 1.00 0.00 C ATOM 554 O LYS B 18 9.809 10.052 5.879 1.00 0.00 O ATOM 555 CB LYS B 18 8.635 7.590 6.234 1.00 0.00 C ATOM 556 CG LYS B 18 7.881 6.355 6.707 1.00 0.00 C ATOM 557 CD LYS B 18 8.813 5.230 7.125 1.00 0.00 C ATOM 558 CE LYS B 18 8.172 4.353 8.193 1.00 0.00 C ATOM 559 NZ LYS B 18 7.171 3.397 7.627 1.00 0.00 N ATOM 0 H LYS B 18 5.769 8.689 5.557 1.00 0.00 H new ATOM 0 HA LYS B 18 7.262 8.927 7.173 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.036 7.407 5.237 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.486 7.766 6.892 1.00 0.00 H new ATOM 0 HG2 LYS B 18 7.241 6.624 7.547 1.00 0.00 H new ATOM 0 HG3 LYS B 18 7.228 6.004 5.908 1.00 0.00 H new ATOM 0 HD2 LYS B 18 9.067 4.623 6.256 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.745 5.648 7.505 1.00 0.00 H new ATOM 0 HE2 LYS B 18 8.949 3.794 8.713 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.685 4.987 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 6.765 2.825 8.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 6.413 3.928 7.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 7.638 2.772 6.939 1.00 0.00 H new ATOM 573 N LYS B 19 7.882 11.247 5.923 1.00 0.00 N ATOM 574 CA LYS B 19 8.500 12.571 5.760 1.00 0.00 C ATOM 575 C LYS B 19 9.066 12.796 4.353 1.00 0.00 C ATOM 576 O LYS B 19 9.950 13.633 4.165 1.00 0.00 O ATOM 577 CB LYS B 19 9.606 12.797 6.807 1.00 0.00 C ATOM 578 CG LYS B 19 9.166 13.618 8.011 1.00 0.00 C ATOM 579 CD LYS B 19 8.303 12.806 8.966 1.00 0.00 C ATOM 580 CE LYS B 19 7.862 13.625 10.162 1.00 0.00 C ATOM 581 NZ LYS B 19 6.861 14.655 9.776 1.00 0.00 N ATOM 0 H LYS B 19 6.864 11.276 5.978 1.00 0.00 H new ATOM 0 HA LYS B 19 7.702 13.297 5.912 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.966 11.828 7.154 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.448 13.297 6.328 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.045 13.987 8.540 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.609 14.491 7.671 1.00 0.00 H new ATOM 0 HD2 LYS B 19 7.426 12.435 8.436 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.861 11.935 9.308 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.435 12.966 10.918 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.728 14.109 10.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.492 15.118 10.631 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.312 15.365 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.078 14.203 9.262 1.00 0.00 H new ATOM 595 N GLN B 20 8.547 12.079 3.362 1.00 0.00 N ATOM 596 CA GLN B 20 9.017 12.236 1.985 1.00 0.00 C ATOM 597 C GLN B 20 7.843 12.521 1.061 1.00 0.00 C ATOM 598 O GLN B 20 6.944 11.704 0.946 1.00 0.00 O ATOM 599 CB GLN B 20 9.739 10.978 1.505 1.00 0.00 C ATOM 600 CG GLN B 20 10.897 10.552 2.388 1.00 0.00 C ATOM 601 CD GLN B 20 11.389 9.164 2.044 1.00 0.00 C ATOM 602 OE1 GLN B 20 12.340 8.996 1.283 1.00 0.00 O ATOM 603 NE2 GLN B 20 10.719 8.160 2.578 1.00 0.00 N ATOM 0 H GLN B 20 7.806 11.388 3.482 1.00 0.00 H new ATOM 0 HA GLN B 20 9.715 13.073 1.963 1.00 0.00 H new ATOM 0 HB2 GLN B 20 9.021 10.160 1.447 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.110 11.149 0.495 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.716 11.264 2.281 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.586 10.578 3.432 1.00 0.00 H new ATOM 0 HE21 GLN B 20 9.936 8.345 3.205 1.00 0.00 H new ATOM 0 HE22 GLN B 20 10.984 7.199 2.364 1.00 0.00 H new ATOM 612 N ASP B 21 7.863 13.665 0.397 1.00 0.00 N ATOM 613 CA ASP B 21 6.772 14.052 -0.505 1.00 0.00 C ATOM 614 C ASP B 21 6.966 13.464 -1.903 1.00 0.00 C ATOM 615 O ASP B 21 8.086 13.436 -2.419 1.00 0.00 O ATOM 616 CB ASP B 21 6.680 15.579 -0.594 1.00 0.00 C ATOM 617 CG ASP B 21 5.251 16.085 -0.523 1.00 0.00 C ATOM 618 OD1 ASP B 21 4.449 15.735 -1.411 1.00 0.00 O ATOM 619 OD2 ASP B 21 4.933 16.844 0.420 1.00 0.00 O ATOM 0 H ASP B 21 8.619 14.347 0.460 1.00 0.00 H new ATOM 0 HA ASP B 21 5.844 13.653 -0.095 1.00 0.00 H new ATOM 0 HB2 ASP B 21 7.258 16.022 0.217 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.133 15.912 -1.528 1.00 0.00 H new ATOM 624 N GLY B 22 5.881 12.991 -2.513 1.00 0.00 N ATOM 625 CA GLY B 22 5.969 12.413 -3.843 1.00 0.00 C ATOM 626 C GLY B 22 4.618 12.049 -4.439 1.00 0.00 C ATOM 627 O GLY B 22 3.603 12.658 -4.116 1.00 0.00 O ATOM 0 H GLY B 22 4.944 12.998 -2.110 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.470 13.119 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.591 11.519 -3.801 1.00 0.00 H new ATOM 631 N ALA B 23 4.617 11.036 -5.301 1.00 0.00 N ATOM 632 CA ALA B 23 3.405 10.572 -5.974 1.00 0.00 C ATOM 633 C ALA B 23 3.238 9.070 -5.771 1.00 0.00 C ATOM 634 O ALA B 23 4.210 8.314 -5.818 1.00 0.00 O ATOM 635 CB ALA B 23 3.470 10.902 -7.458 1.00 0.00 C ATOM 0 H ALA B 23 5.456 10.513 -5.553 1.00 0.00 H new ATOM 0 HA ALA B 23 2.543 11.081 -5.542 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.562 10.552 -7.949 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.559 11.981 -7.587 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.335 10.410 -7.902 1.00 0.00 H new ATOM 641 N LEU B 24 2.006 8.646 -5.552 1.00 0.00 N ATOM 642 CA LEU B 24 1.692 7.241 -5.316 1.00 0.00 C ATOM 643 C LEU B 24 1.109 6.604 -6.578 1.00 0.00 C ATOM 644 O LEU B 24 0.422 7.263 -7.347 1.00 0.00 O ATOM 645 CB LEU B 24 0.702 7.140 -4.155 1.00 0.00 C ATOM 646 CG LEU B 24 0.241 5.727 -3.814 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.138 5.085 -2.786 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.194 5.743 -3.320 1.00 0.00 C ATOM 0 H LEU B 24 1.193 9.262 -5.532 1.00 0.00 H new ATOM 0 HA LEU B 24 2.604 6.702 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.160 7.579 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.174 7.743 -4.393 1.00 0.00 H new ATOM 0 HG LEU B 24 0.297 5.132 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.779 4.079 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.155 5.031 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.129 5.680 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.508 4.727 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.265 6.364 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.842 6.149 -4.097 1.00 0.00 H new ATOM 660 N TYR B 25 1.405 5.331 -6.806 1.00 0.00 N ATOM 661 CA TYR B 25 0.897 4.619 -7.974 1.00 0.00 C ATOM 662 C TYR B 25 0.481 3.201 -7.592 1.00 0.00 C ATOM 663 O TYR B 25 1.322 2.368 -7.255 1.00 0.00 O ATOM 664 CB TYR B 25 1.954 4.539 -9.083 1.00 0.00 C ATOM 665 CG TYR B 25 2.710 5.822 -9.350 1.00 0.00 C ATOM 666 CD1 TYR B 25 2.231 6.760 -10.254 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.916 6.084 -8.709 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.931 7.923 -10.512 1.00 0.00 C ATOM 669 CE2 TYR B 25 4.618 7.246 -8.960 1.00 0.00 C ATOM 670 CZ TYR B 25 4.123 8.161 -9.862 1.00 0.00 C ATOM 671 OH TYR B 25 4.825 9.318 -10.120 1.00 0.00 O ATOM 0 H TYR B 25 1.997 4.767 -6.195 1.00 0.00 H new ATOM 0 HA TYR B 25 0.035 5.175 -8.343 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.672 3.761 -8.822 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.466 4.226 -10.006 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.296 6.578 -10.764 1.00 0.00 H new ATOM 0 HD2 TYR B 25 4.310 5.367 -8.004 1.00 0.00 H new ATOM 0 HE1 TYR B 25 2.546 8.642 -11.220 1.00 0.00 H new ATOM 0 HE2 TYR B 25 5.551 7.436 -8.451 1.00 0.00 H new ATOM 0 HH TYR B 25 5.642 9.332 -9.579 1.00 0.00 H new ATOM 681 N LEU B 26 -0.808 2.918 -7.653 1.00 0.00 N ATOM 682 CA LEU B 26 -1.299 1.591 -7.307 1.00 0.00 C ATOM 683 C LEU B 26 -1.327 0.708 -8.538 1.00 0.00 C ATOM 684 O LEU B 26 -1.738 1.143 -9.616 1.00 0.00 O ATOM 685 CB LEU B 26 -2.682 1.660 -6.671 1.00 0.00 C ATOM 686 CG LEU B 26 -2.791 2.616 -5.490 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.027 2.330 -4.671 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.573 2.542 -4.606 1.00 0.00 C ATOM 0 H LEU B 26 -1.530 3.581 -7.936 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.617 1.159 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.403 1.960 -7.432 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.965 0.661 -6.340 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.862 3.623 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.079 3.027 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.912 2.446 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.983 1.310 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.685 3.237 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.464 1.528 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.688 2.807 -5.184 1.00 0.00 H new ATOM 700 N MET B 27 -0.891 -0.525 -8.373 1.00 0.00 N ATOM 701 CA MET B 27 -0.832 -1.471 -9.470 1.00 0.00 C ATOM 702 C MET B 27 -1.683 -2.705 -9.176 1.00 0.00 C ATOM 703 O MET B 27 -2.079 -2.937 -8.036 1.00 0.00 O ATOM 704 CB MET B 27 0.614 -1.878 -9.714 1.00 0.00 C ATOM 705 CG MET B 27 1.551 -0.702 -9.918 1.00 0.00 C ATOM 706 SD MET B 27 3.210 -1.211 -10.403 1.00 0.00 S ATOM 707 CE MET B 27 3.933 0.386 -10.765 1.00 0.00 C ATOM 0 H MET B 27 -0.569 -0.898 -7.480 1.00 0.00 H new ATOM 0 HA MET B 27 -1.231 -0.992 -10.364 1.00 0.00 H new ATOM 0 HB2 MET B 27 0.964 -2.468 -8.867 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.658 -2.523 -10.592 1.00 0.00 H new ATOM 0 HG2 MET B 27 1.139 -0.043 -10.683 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.608 -0.124 -8.996 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.020 0.305 -10.752 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.606 0.718 -11.750 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.614 1.109 -10.014 1.00 0.00 H new ATOM 717 N ALA B 28 -1.907 -3.498 -10.212 1.00 0.00 N ATOM 718 CA ALA B 28 -2.719 -4.713 -10.164 1.00 0.00 C ATOM 719 C ALA B 28 -2.454 -5.597 -8.944 1.00 0.00 C ATOM 720 O ALA B 28 -3.389 -6.000 -8.258 1.00 0.00 O ATOM 721 CB ALA B 28 -2.488 -5.502 -11.448 1.00 0.00 C ATOM 0 H ALA B 28 -1.520 -3.313 -11.137 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.759 -4.400 -10.072 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.087 -6.412 -11.428 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.779 -4.895 -12.305 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.433 -5.764 -11.530 1.00 0.00 H new ATOM 727 N GLU B 29 -1.198 -5.903 -8.660 1.00 0.00 N ATOM 728 CA GLU B 29 -0.891 -6.769 -7.523 1.00 0.00 C ATOM 729 C GLU B 29 0.047 -6.105 -6.522 1.00 0.00 C ATOM 730 O GLU B 29 0.541 -6.765 -5.605 1.00 0.00 O ATOM 731 CB GLU B 29 -0.260 -8.078 -8.004 1.00 0.00 C ATOM 732 CG GLU B 29 -0.980 -8.725 -9.176 1.00 0.00 C ATOM 733 CD GLU B 29 -0.052 -8.972 -10.343 1.00 0.00 C ATOM 734 OE1 GLU B 29 -0.162 -8.257 -11.363 1.00 0.00 O ATOM 735 OE2 GLU B 29 0.821 -9.854 -10.238 1.00 0.00 O ATOM 0 H GLU B 29 -0.388 -5.575 -9.185 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.837 -6.969 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.774 -7.886 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.236 -8.783 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -1.419 -9.670 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.802 -8.084 -9.495 1.00 0.00 H new ATOM 742 N ARG B 30 0.274 -4.804 -6.654 1.00 0.00 N ATOM 743 CA ARG B 30 1.191 -4.129 -5.742 1.00 0.00 C ATOM 744 C ARG B 30 0.963 -2.626 -5.704 1.00 0.00 C ATOM 745 O ARG B 30 0.429 -2.044 -6.637 1.00 0.00 O ATOM 746 CB ARG B 30 2.649 -4.420 -6.135 1.00 0.00 C ATOM 747 CG ARG B 30 3.045 -3.886 -7.505 1.00 0.00 C ATOM 748 CD ARG B 30 2.880 -4.936 -8.597 1.00 0.00 C ATOM 749 NE ARG B 30 2.496 -4.330 -9.873 1.00 0.00 N ATOM 750 CZ ARG B 30 1.660 -4.891 -10.747 1.00 0.00 C ATOM 751 NH1 ARG B 30 1.239 -6.134 -10.552 1.00 0.00 N ATOM 752 NH2 ARG B 30 1.265 -4.214 -11.820 1.00 0.00 N ATOM 0 H ARG B 30 -0.151 -4.207 -7.364 1.00 0.00 H new ATOM 0 HA ARG B 30 0.993 -4.521 -4.744 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.309 -3.987 -5.384 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.810 -5.498 -6.117 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.435 -3.015 -7.745 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.082 -3.551 -7.478 1.00 0.00 H new ATOM 0 HD2 ARG B 30 3.814 -5.484 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG B 30 2.123 -5.660 -8.295 1.00 0.00 H new ATOM 0 HE ARG B 30 2.893 -3.421 -10.108 1.00 0.00 H new ATOM 0 HH11 ARG B 30 1.555 -6.657 -9.735 1.00 0.00 H new ATOM 0 HH12 ARG B 30 0.599 -6.566 -11.219 1.00 0.00 H new ATOM 0 HH21 ARG B 30 1.601 -3.264 -11.976 1.00 0.00 H new ATOM 0 HH22 ARG B 30 0.625 -4.645 -12.488 1.00 0.00 H new ATOM 766 N ILE B 31 1.373 -2.016 -4.609 1.00 0.00 N ATOM 767 CA ILE B 31 1.249 -0.581 -4.419 1.00 0.00 C ATOM 768 C ILE B 31 2.643 0.037 -4.428 1.00 0.00 C ATOM 769 O ILE B 31 3.509 -0.351 -3.639 1.00 0.00 O ATOM 770 CB ILE B 31 0.524 -0.243 -3.092 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.838 1.190 -2.650 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.899 -1.236 -2.000 1.00 0.00 C ATOM 773 CD1 ILE B 31 -0.038 1.678 -1.521 1.00 0.00 C ATOM 0 H ILE B 31 1.803 -2.502 -3.822 1.00 0.00 H new ATOM 0 HA ILE B 31 0.649 -0.170 -5.231 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.549 -0.319 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.881 1.246 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.723 1.858 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.377 -0.978 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.613 -2.242 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.975 -1.201 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.240 2.699 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.082 1.655 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.095 1.033 -0.653 1.00 0.00 H new ATOM 785 N ALA B 32 2.870 0.969 -5.335 1.00 0.00 N ATOM 786 CA ALA B 32 4.163 1.618 -5.437 1.00 0.00 C ATOM 787 C ALA B 32 4.032 3.116 -5.225 1.00 0.00 C ATOM 788 O ALA B 32 2.989 3.702 -5.491 1.00 0.00 O ATOM 789 CB ALA B 32 4.802 1.325 -6.787 1.00 0.00 C ATOM 0 H ALA B 32 2.177 1.293 -6.010 1.00 0.00 H new ATOM 0 HA ALA B 32 4.808 1.218 -4.655 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.771 1.820 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.936 0.249 -6.900 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.156 1.696 -7.583 1.00 0.00 H new ATOM 795 N TRP B 33 5.078 3.723 -4.712 1.00 0.00 N ATOM 796 CA TRP B 33 5.091 5.154 -4.476 1.00 0.00 C ATOM 797 C TRP B 33 6.502 5.682 -4.682 1.00 0.00 C ATOM 798 O TRP B 33 7.484 5.020 -4.327 1.00 0.00 O ATOM 799 CB TRP B 33 4.554 5.469 -3.071 1.00 0.00 C ATOM 800 CG TRP B 33 4.749 6.892 -2.636 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.853 7.906 -2.768 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.900 7.458 -1.994 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.373 9.069 -2.271 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.628 8.820 -1.784 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.133 6.949 -1.581 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.542 9.677 -1.182 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.039 7.800 -0.978 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.739 9.150 -0.785 1.00 0.00 C ATOM 0 H TRP B 33 5.939 3.245 -4.447 1.00 0.00 H new ATOM 0 HA TRP B 33 4.434 5.655 -5.187 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.490 5.236 -3.042 1.00 0.00 H new ATOM 0 HB3 TRP B 33 5.044 4.812 -2.352 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.870 7.807 -3.204 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.903 9.974 -2.264 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.374 5.907 -1.731 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.314 10.722 -1.033 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 8.994 7.415 -0.651 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.468 9.791 -0.312 1.00 0.00 H new ATOM 819 N ALA B 34 6.605 6.856 -5.275 1.00 0.00 N ATOM 820 CA ALA B 34 7.892 7.461 -5.540 1.00 0.00 C ATOM 821 C ALA B 34 7.846 8.958 -5.265 1.00 0.00 C ATOM 822 O ALA B 34 6.955 9.654 -5.749 1.00 0.00 O ATOM 823 CB ALA B 34 8.306 7.188 -6.976 1.00 0.00 C ATOM 0 H ALA B 34 5.807 7.411 -5.583 1.00 0.00 H new ATOM 0 HA ALA B 34 8.634 7.020 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA B 34 9.276 7.647 -7.168 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.375 6.112 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.564 7.609 -7.655 1.00 0.00 H new ATOM 829 N PRO B 35 8.808 9.468 -4.481 1.00 0.00 N ATOM 830 CA PRO B 35 8.881 10.891 -4.134 1.00 0.00 C ATOM 831 C PRO B 35 9.095 11.781 -5.358 1.00 0.00 C ATOM 832 O PRO B 35 9.408 11.302 -6.447 1.00 0.00 O ATOM 833 CB PRO B 35 10.083 10.980 -3.187 1.00 0.00 C ATOM 834 CG PRO B 35 10.877 9.745 -3.439 1.00 0.00 C ATOM 835 CD PRO B 35 9.894 8.694 -3.866 1.00 0.00 C ATOM 0 HA PRO B 35 7.951 11.242 -3.688 1.00 0.00 H new ATOM 0 HB2 PRO B 35 10.674 11.874 -3.385 1.00 0.00 H new ATOM 0 HB3 PRO B 35 9.761 11.035 -2.147 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.626 9.915 -4.213 1.00 0.00 H new ATOM 0 HG3 PRO B 35 11.411 9.436 -2.541 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.338 7.993 -4.573 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.539 8.109 -3.018 1.00 0.00 H new ATOM 843 N GLU B 36 8.918 13.074 -5.181 1.00 0.00 N ATOM 844 CA GLU B 36 9.094 14.016 -6.271 1.00 0.00 C ATOM 845 C GLU B 36 10.572 14.346 -6.458 1.00 0.00 C ATOM 846 O GLU B 36 11.249 14.760 -5.518 1.00 0.00 O ATOM 847 CB GLU B 36 8.278 15.281 -6.006 1.00 0.00 C ATOM 848 CG GLU B 36 6.796 15.122 -6.311 1.00 0.00 C ATOM 849 CD GLU B 36 5.950 16.220 -5.695 1.00 0.00 C ATOM 850 OE1 GLU B 36 6.521 17.196 -5.165 1.00 0.00 O ATOM 851 OE2 GLU B 36 4.704 16.102 -5.719 1.00 0.00 O ATOM 0 H GLU B 36 8.652 13.499 -4.292 1.00 0.00 H new ATOM 0 HA GLU B 36 8.733 13.562 -7.194 1.00 0.00 H new ATOM 0 HB2 GLU B 36 8.397 15.568 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU B 36 8.680 16.096 -6.609 1.00 0.00 H new ATOM 0 HG2 GLU B 36 6.650 15.119 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU B 36 6.455 14.155 -5.941 1.00 0.00 H new ATOM 858 N GLY B 37 11.073 14.129 -7.670 1.00 0.00 N ATOM 859 CA GLY B 37 12.469 14.410 -7.962 1.00 0.00 C ATOM 860 C GLY B 37 13.243 13.172 -8.377 1.00 0.00 C ATOM 861 O GLY B 37 14.187 13.257 -9.157 1.00 0.00 O ATOM 0 H GLY B 37 10.537 13.763 -8.457 1.00 0.00 H new ATOM 0 HA2 GLY B 37 12.527 15.153 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY B 37 12.939 14.849 -7.082 1.00 0.00 H new ATOM 865 N LYS B 38 12.837 12.018 -7.860 1.00 0.00 N ATOM 866 CA LYS B 38 13.498 10.751 -8.178 1.00 0.00 C ATOM 867 C LYS B 38 13.139 10.262 -9.574 1.00 0.00 C ATOM 868 O LYS B 38 12.247 10.802 -10.238 1.00 0.00 O ATOM 869 CB LYS B 38 13.106 9.678 -7.151 1.00 0.00 C ATOM 870 CG LYS B 38 11.601 9.483 -6.990 1.00 0.00 C ATOM 871 CD LYS B 38 10.983 8.715 -8.154 1.00 0.00 C ATOM 872 CE LYS B 38 9.865 9.500 -8.827 1.00 0.00 C ATOM 873 NZ LYS B 38 9.908 9.365 -10.308 1.00 0.00 N ATOM 0 H LYS B 38 12.051 11.930 -7.216 1.00 0.00 H new ATOM 0 HA LYS B 38 14.573 10.927 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS B 38 13.554 8.729 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.532 9.945 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS B 38 11.405 8.948 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS B 38 11.119 10.457 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS B 38 11.756 8.484 -8.887 1.00 0.00 H new ATOM 0 HD3 LYS B 38 10.592 7.764 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS B 38 8.901 9.149 -8.458 1.00 0.00 H new ATOM 0 HE3 LYS B 38 9.946 10.553 -8.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 9.050 9.784 -10.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 10.745 9.859 -10.677 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 9.959 8.358 -10.563 1.00 0.00 H new ATOM 887 N ASP B 39 13.825 9.221 -9.995 1.00 0.00 N ATOM 888 CA ASP B 39 13.576 8.593 -11.280 1.00 0.00 C ATOM 889 C ASP B 39 13.082 7.171 -11.054 1.00 0.00 C ATOM 890 O ASP B 39 12.368 6.604 -11.876 1.00 0.00 O ATOM 891 CB ASP B 39 14.868 8.560 -12.100 1.00 0.00 C ATOM 892 CG ASP B 39 15.934 7.703 -11.435 1.00 0.00 C ATOM 893 OD1 ASP B 39 16.131 7.849 -10.201 1.00 0.00 O ATOM 894 OD2 ASP B 39 16.557 6.878 -12.129 1.00 0.00 O ATOM 0 H ASP B 39 14.573 8.784 -9.457 1.00 0.00 H new ATOM 0 HA ASP B 39 12.822 9.163 -11.823 1.00 0.00 H new ATOM 0 HB2 ASP B 39 14.657 8.171 -13.096 1.00 0.00 H new ATOM 0 HB3 ASP B 39 15.244 9.575 -12.228 1.00 0.00 H new ATOM 899 N ARG B 40 13.418 6.635 -9.889 1.00 0.00 N ATOM 900 CA ARG B 40 13.036 5.282 -9.524 1.00 0.00 C ATOM 901 C ARG B 40 12.133 5.272 -8.296 1.00 0.00 C ATOM 902 O ARG B 40 12.247 6.133 -7.426 1.00 0.00 O ATOM 903 CB ARG B 40 14.286 4.429 -9.268 1.00 0.00 C ATOM 904 CG ARG B 40 15.480 5.188 -8.694 1.00 0.00 C ATOM 905 CD ARG B 40 15.295 5.542 -7.224 1.00 0.00 C ATOM 906 NE ARG B 40 14.720 4.436 -6.454 1.00 0.00 N ATOM 907 CZ ARG B 40 15.417 3.643 -5.644 1.00 0.00 C ATOM 908 NH1 ARG B 40 16.727 3.818 -5.495 1.00 0.00 N ATOM 909 NH2 ARG B 40 14.797 2.670 -4.985 1.00 0.00 N ATOM 0 H ARG B 40 13.959 7.124 -9.176 1.00 0.00 H new ATOM 0 HA ARG B 40 12.476 4.856 -10.356 1.00 0.00 H new ATOM 0 HB2 ARG B 40 14.023 3.623 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.588 3.963 -10.206 1.00 0.00 H new ATOM 0 HG2 ARG B 40 16.380 4.583 -8.808 1.00 0.00 H new ATOM 0 HG3 ARG B 40 15.635 6.102 -9.268 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.258 5.818 -6.795 1.00 0.00 H new ATOM 0 HD3 ARG B 40 14.647 6.415 -7.141 1.00 0.00 H new ATOM 0 HE ARG B 40 13.719 4.262 -6.545 1.00 0.00 H new ATOM 0 HH11 ARG B 40 17.203 4.563 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG B 40 17.256 3.207 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG B 40 13.793 2.534 -5.102 1.00 0.00 H new ATOM 0 HH22 ARG B 40 15.325 2.059 -4.363 1.00 0.00 H new ATOM 923 N PHE B 41 11.248 4.287 -8.224 1.00 0.00 N ATOM 924 CA PHE B 41 10.326 4.166 -7.099 1.00 0.00 C ATOM 925 C PHE B 41 11.075 3.758 -5.833 1.00 0.00 C ATOM 926 O PHE B 41 12.151 3.160 -5.900 1.00 0.00 O ATOM 927 CB PHE B 41 9.232 3.135 -7.398 1.00 0.00 C ATOM 928 CG PHE B 41 8.517 3.356 -8.702 1.00 0.00 C ATOM 929 CD1 PHE B 41 7.420 4.201 -8.772 1.00 0.00 C ATOM 930 CD2 PHE B 41 8.936 2.714 -9.858 1.00 0.00 C ATOM 931 CE1 PHE B 41 6.758 4.401 -9.967 1.00 0.00 C ATOM 932 CE2 PHE B 41 8.278 2.913 -11.056 1.00 0.00 C ATOM 933 CZ PHE B 41 7.186 3.757 -11.109 1.00 0.00 C ATOM 0 H PHE B 41 11.148 3.559 -8.931 1.00 0.00 H new ATOM 0 HA PHE B 41 9.862 5.140 -6.944 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.678 2.140 -7.405 1.00 0.00 H new ATOM 0 HB3 PHE B 41 8.502 3.151 -6.589 1.00 0.00 H new ATOM 0 HD1 PHE B 41 7.079 4.709 -7.882 1.00 0.00 H new ATOM 0 HD2 PHE B 41 9.787 2.050 -9.821 1.00 0.00 H new ATOM 0 HE1 PHE B 41 5.905 5.062 -10.007 1.00 0.00 H new ATOM 0 HE2 PHE B 41 8.617 2.410 -11.949 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.668 3.912 -12.044 1.00 0.00 H new ATOM 943 N THR B 42 10.515 4.105 -4.686 1.00 0.00 N ATOM 944 CA THR B 42 11.112 3.759 -3.407 1.00 0.00 C ATOM 945 C THR B 42 10.196 2.810 -2.651 1.00 0.00 C ATOM 946 O THR B 42 10.641 1.821 -2.069 1.00 0.00 O ATOM 947 CB THR B 42 11.364 5.013 -2.555 1.00 0.00 C ATOM 948 OG1 THR B 42 10.270 5.923 -2.705 1.00 0.00 O ATOM 949 CG2 THR B 42 12.661 5.698 -2.962 1.00 0.00 C ATOM 0 H THR B 42 9.643 4.629 -4.615 1.00 0.00 H new ATOM 0 HA THR B 42 12.069 3.275 -3.600 1.00 0.00 H new ATOM 0 HB THR B 42 11.450 4.709 -1.512 1.00 0.00 H new ATOM 0 HG1 THR B 42 9.868 6.098 -1.829 1.00 0.00 H new ATOM 0 HG21 THR B 42 12.815 6.582 -2.344 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.495 5.009 -2.825 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.603 5.994 -4.010 1.00 0.00 H new ATOM 957 N ILE B 43 8.909 3.120 -2.678 1.00 0.00 N ATOM 958 CA ILE B 43 7.907 2.311 -2.013 1.00 0.00 C ATOM 959 C ILE B 43 7.361 1.268 -2.975 1.00 0.00 C ATOM 960 O ILE B 43 6.853 1.605 -4.044 1.00 0.00 O ATOM 961 CB ILE B 43 6.746 3.181 -1.479 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.205 3.981 -0.259 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.529 2.331 -1.135 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.673 3.122 0.895 1.00 0.00 C ATOM 0 H ILE B 43 8.534 3.937 -3.160 1.00 0.00 H new ATOM 0 HA ILE B 43 8.383 1.817 -1.166 1.00 0.00 H new ATOM 0 HB ILE B 43 6.453 3.875 -2.267 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.016 4.646 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.383 4.612 0.080 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.731 2.973 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.187 1.807 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.798 1.604 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.982 3.761 1.722 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.858 2.475 1.221 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.516 2.510 0.575 1.00 0.00 H new ATOM 976 N SER B 44 7.503 0.010 -2.603 1.00 0.00 N ATOM 977 CA SER B 44 7.013 -1.086 -3.410 1.00 0.00 C ATOM 978 C SER B 44 6.579 -2.221 -2.497 1.00 0.00 C ATOM 979 O SER B 44 7.411 -2.964 -1.977 1.00 0.00 O ATOM 980 CB SER B 44 8.102 -1.558 -4.382 1.00 0.00 C ATOM 981 OG SER B 44 7.603 -2.522 -5.296 1.00 0.00 O ATOM 0 H SER B 44 7.959 -0.278 -1.737 1.00 0.00 H new ATOM 0 HA SER B 44 6.158 -0.753 -3.998 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.495 -0.703 -4.932 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.933 -1.984 -3.820 1.00 0.00 H new ATOM 0 HG SER B 44 8.321 -2.801 -5.902 1.00 0.00 H new ATOM 987 N HIS B 45 5.280 -2.337 -2.289 1.00 0.00 N ATOM 988 CA HIS B 45 4.740 -3.380 -1.430 1.00 0.00 C ATOM 989 C HIS B 45 3.693 -4.175 -2.180 1.00 0.00 C ATOM 990 O HIS B 45 2.884 -3.608 -2.918 1.00 0.00 O ATOM 991 CB HIS B 45 4.103 -2.790 -0.165 1.00 0.00 C ATOM 992 CG HIS B 45 4.968 -1.817 0.572 1.00 0.00 C ATOM 993 ND1 HIS B 45 6.072 -2.173 1.314 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.871 -0.469 0.667 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.602 -1.055 1.824 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.912 0.008 1.460 1.00 0.00 N ATOM 0 H HIS B 45 4.578 -1.723 -2.702 1.00 0.00 H new ATOM 0 HA HIS B 45 5.567 -4.027 -1.136 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.173 -2.293 -0.440 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.841 -3.606 0.509 1.00 0.00 H new ATOM 0 HD1 HIS B 45 6.423 -3.121 1.451 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.109 0.138 0.202 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.480 -1.027 2.452 1.00 0.00 H new ATOM 1004 N MET B 46 3.706 -5.478 -2.006 1.00 0.00 N ATOM 1005 CA MET B 46 2.729 -6.321 -2.656 1.00 0.00 C ATOM 1006 C MET B 46 1.516 -6.437 -1.755 1.00 0.00 C ATOM 1007 O MET B 46 1.650 -6.467 -0.536 1.00 0.00 O ATOM 1008 CB MET B 46 3.306 -7.712 -2.940 1.00 0.00 C ATOM 1009 CG MET B 46 4.496 -7.707 -3.886 1.00 0.00 C ATOM 1010 SD MET B 46 4.016 -7.489 -5.612 1.00 0.00 S ATOM 1011 CE MET B 46 3.225 -9.062 -5.945 1.00 0.00 C ATOM 0 H MET B 46 4.379 -5.975 -1.422 1.00 0.00 H new ATOM 0 HA MET B 46 2.449 -5.876 -3.611 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.607 -8.169 -1.997 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.522 -8.340 -3.363 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.179 -6.907 -3.600 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.042 -8.645 -3.781 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.209 -9.241 -7.020 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.780 -9.860 -5.452 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.203 -9.043 -5.566 1.00 0.00 H new ATOM 1021 N TYR B 47 0.333 -6.483 -2.349 1.00 0.00 N ATOM 1022 CA TYR B 47 -0.912 -6.621 -1.584 1.00 0.00 C ATOM 1023 C TYR B 47 -0.866 -7.897 -0.747 1.00 0.00 C ATOM 1024 O TYR B 47 -1.565 -8.029 0.254 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.099 -6.655 -2.546 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.230 -5.394 -3.371 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.795 -5.422 -4.635 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -1.783 -4.173 -2.882 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.910 -4.272 -5.388 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -1.896 -3.020 -3.629 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.460 -3.074 -4.879 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.574 -1.924 -5.623 1.00 0.00 O ATOM 0 H TYR B 47 0.202 -6.427 -3.359 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.025 -5.770 -0.913 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.993 -7.510 -3.214 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.016 -6.807 -1.977 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -3.151 -6.359 -5.037 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.339 -4.126 -1.899 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.351 -4.311 -6.373 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.543 -2.079 -3.233 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.202 -2.075 -6.517 1.00 0.00 H new ATOM 1042 N ALA B 48 0.004 -8.814 -1.160 1.00 0.00 N ATOM 1043 CA ALA B 48 0.183 -10.087 -0.484 1.00 0.00 C ATOM 1044 C ALA B 48 0.915 -9.925 0.846 1.00 0.00 C ATOM 1045 O ALA B 48 0.855 -10.817 1.690 1.00 0.00 O ATOM 1046 CB ALA B 48 0.947 -11.046 -1.385 1.00 0.00 C ATOM 0 H ALA B 48 0.604 -8.691 -1.975 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.806 -10.493 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.079 -11.999 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.387 -11.203 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.924 -10.623 -1.621 1.00 0.00 H new ATOM 1052 N ASP B 49 1.601 -8.793 1.019 1.00 0.00 N ATOM 1053 CA ASP B 49 2.349 -8.512 2.237 1.00 0.00 C ATOM 1054 C ASP B 49 1.592 -7.514 3.101 1.00 0.00 C ATOM 1055 O ASP B 49 1.990 -7.220 4.233 1.00 0.00 O ATOM 1056 CB ASP B 49 3.717 -7.915 1.933 1.00 0.00 C ATOM 1057 CG ASP B 49 4.310 -8.352 0.605 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.376 -9.571 0.341 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.715 -7.461 -0.180 1.00 0.00 O ATOM 0 H ASP B 49 1.651 -8.052 0.320 1.00 0.00 H new ATOM 0 HA ASP B 49 2.474 -9.462 2.757 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.636 -6.828 1.941 1.00 0.00 H new ATOM 0 HB3 ASP B 49 4.405 -8.189 2.732 1.00 0.00 H new ATOM 1064 N ILE B 50 0.502 -6.988 2.571 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.301 -6.037 3.316 1.00 0.00 C ATOM 1066 C ILE B 50 -1.358 -6.815 4.093 1.00 0.00 C ATOM 1067 O ILE B 50 -2.041 -7.667 3.527 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.010 -5.018 2.396 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.164 -4.699 1.155 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.331 -3.748 3.165 1.00 0.00 C ATOM 1071 CD1 ILE B 50 1.003 -3.768 1.407 1.00 0.00 C ATOM 0 H ILE B 50 0.155 -7.201 1.636 1.00 0.00 H new ATOM 0 HA ILE B 50 0.360 -5.478 3.978 1.00 0.00 H new ATOM 0 HB ILE B 50 -1.942 -5.467 2.053 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.217 -5.633 0.742 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.809 -4.254 0.397 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.830 -3.039 2.504 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.986 -3.986 4.003 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.408 -3.306 3.540 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.542 -3.600 0.475 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.633 -2.816 1.789 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.675 -4.216 2.139 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.495 -6.544 5.377 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.465 -7.258 6.191 1.00 0.00 C ATOM 1085 C LYS B 51 -3.802 -6.520 6.197 1.00 0.00 C ATOM 1086 O LYS B 51 -4.868 -7.118 6.040 1.00 0.00 O ATOM 1087 CB LYS B 51 -1.948 -7.413 7.622 1.00 0.00 C ATOM 1088 CG LYS B 51 -2.825 -8.293 8.498 1.00 0.00 C ATOM 1089 CD LYS B 51 -2.196 -8.512 9.863 1.00 0.00 C ATOM 1090 CE LYS B 51 -3.248 -8.719 10.938 1.00 0.00 C ATOM 1091 NZ LYS B 51 -3.774 -10.113 10.960 1.00 0.00 N ATOM 0 H LYS B 51 -0.952 -5.840 5.878 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.612 -8.248 5.760 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -0.943 -7.833 7.592 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -1.868 -6.426 8.079 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -3.805 -7.831 8.616 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -2.983 -9.254 8.009 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -1.538 -9.380 9.826 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -1.576 -7.653 10.120 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -2.820 -8.480 11.912 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -4.073 -8.025 10.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -4.488 -10.203 11.710 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -4.207 -10.335 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -2.994 -10.776 11.144 1.00 0.00 H new ATOM 1105 N CYS B 52 -3.719 -5.212 6.362 1.00 0.00 N ATOM 1106 CA CYS B 52 -4.878 -4.350 6.422 1.00 0.00 C ATOM 1107 C CYS B 52 -4.470 -2.927 6.079 1.00 0.00 C ATOM 1108 O CYS B 52 -3.314 -2.677 5.744 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.464 -4.405 7.824 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.223 -4.551 9.127 1.00 0.00 S ATOM 0 H CYS B 52 -2.833 -4.716 6.459 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.628 -4.683 5.705 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.054 -3.505 7.997 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.147 -5.252 7.889 1.00 0.00 H new ATOM 0 HG CYS B 52 -4.812 -4.589 10.285 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.406 -1.998 6.141 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.097 -0.615 5.842 1.00 0.00 C ATOM 1118 C GLN B 53 -5.921 0.329 6.723 1.00 0.00 C ATOM 1119 O GLN B 53 -7.032 -0.010 7.133 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.387 -0.306 4.372 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.828 0.108 4.113 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.030 0.721 2.748 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -6.809 1.912 2.549 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -7.478 -0.083 1.807 1.00 0.00 N ATOM 0 H GLN B 53 -6.378 -2.175 6.394 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.037 -0.461 6.044 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.723 0.491 4.038 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.156 -1.186 3.771 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.474 -0.764 4.213 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.137 0.823 4.876 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -7.648 -1.067 2.015 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -7.655 0.278 0.869 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.363 1.487 7.047 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.096 2.494 7.810 1.00 0.00 C ATOM 1135 C LYS B 54 -6.249 3.735 6.950 1.00 0.00 C ATOM 1136 O LYS B 54 -5.436 3.973 6.059 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.378 2.948 9.084 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.292 1.965 10.226 1.00 0.00 C ATOM 1139 CD LYS B 54 -5.009 2.745 11.504 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.613 1.861 12.680 1.00 0.00 C ATOM 1141 NZ LYS B 54 -5.512 0.685 12.831 1.00 0.00 N ATOM 0 H LYS B 54 -4.411 1.754 6.796 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.043 2.032 8.090 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.363 3.237 8.812 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.878 3.845 9.450 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.224 1.408 10.319 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.502 1.237 10.042 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.210 3.462 11.313 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.895 3.319 11.774 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -3.588 1.517 12.544 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.632 2.450 13.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -5.301 0.199 13.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -6.502 1.003 12.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -5.362 0.029 12.038 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.274 4.525 7.205 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.456 5.768 6.476 1.00 0.00 C ATOM 1157 C ILE B 55 -7.691 6.877 7.496 1.00 0.00 C ATOM 1158 O ILE B 55 -8.501 6.723 8.406 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.607 5.713 5.422 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -9.958 6.149 5.992 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.733 4.310 4.843 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.804 6.904 4.986 1.00 0.00 C ATOM 0 H ILE B 55 -7.989 4.332 7.906 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.555 5.961 5.893 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.338 6.420 4.637 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.505 5.269 6.332 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.792 6.779 6.866 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.540 4.290 4.110 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.797 4.030 4.360 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.953 3.604 5.644 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.750 7.188 5.447 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.274 7.800 4.665 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.997 6.267 4.122 1.00 0.00 H new ATOM 1174 N SER B 56 -6.945 7.964 7.400 1.00 0.00 N ATOM 1175 CA SER B 56 -7.111 9.040 8.353 1.00 0.00 C ATOM 1176 C SER B 56 -8.176 9.997 7.844 1.00 0.00 C ATOM 1177 O SER B 56 -8.046 10.585 6.750 1.00 0.00 O ATOM 1178 CB SER B 56 -5.791 9.759 8.638 1.00 0.00 C ATOM 1179 OG SER B 56 -5.588 10.853 7.774 1.00 0.00 O ATOM 0 H SER B 56 -6.233 8.121 6.686 1.00 0.00 H new ATOM 0 HA SER B 56 -7.437 8.620 9.305 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.783 10.107 9.671 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.965 9.056 8.532 1.00 0.00 H new ATOM 0 HG SER B 56 -4.932 11.465 8.169 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.234 10.130 8.655 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.417 10.952 8.376 1.00 0.00 C ATOM 1187 C PRO B 57 -10.184 12.446 8.508 1.00 0.00 C ATOM 1188 O PRO B 57 -9.107 12.902 8.903 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.405 10.497 9.451 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.534 10.130 10.597 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.337 9.479 9.978 1.00 0.00 C ATOM 0 HA PRO B 57 -10.747 10.819 7.346 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.102 11.292 9.716 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.001 9.649 9.114 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.251 11.009 11.175 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.045 9.451 11.280 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.439 9.640 10.575 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.470 8.401 9.885 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.209 13.191 8.127 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.206 14.638 8.204 1.00 0.00 C ATOM 1201 C GLU B 58 -10.998 15.087 9.649 1.00 0.00 C ATOM 1202 O GLU B 58 -11.231 14.330 10.593 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.519 15.202 7.647 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.656 15.082 6.131 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.555 13.651 5.633 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -13.168 12.758 6.251 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -11.842 13.412 4.637 1.00 0.00 O ATOM 0 H GLU B 58 -12.074 12.802 7.752 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.383 15.022 7.600 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.354 14.683 8.119 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.598 16.253 7.926 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.615 15.500 5.825 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.881 15.682 5.654 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.590 16.329 9.812 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.307 16.864 11.129 1.00 0.00 C ATOM 1216 C GLY B 59 -8.836 17.170 11.240 1.00 0.00 C ATOM 1217 O GLY B 59 -8.424 18.076 11.962 1.00 0.00 O ATOM 0 H GLY B 59 -10.447 16.989 9.047 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.892 17.768 11.300 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.599 16.146 11.896 1.00 0.00 H new ATOM 1221 N LYS B 60 -8.048 16.406 10.499 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.621 16.626 10.424 1.00 0.00 C ATOM 1223 C LYS B 60 -6.379 17.591 9.285 1.00 0.00 C ATOM 1224 O LYS B 60 -7.177 17.662 8.350 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.855 15.313 10.176 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.434 14.588 11.447 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.575 13.354 11.154 1.00 0.00 C ATOM 1228 CE LYS B 60 -4.002 12.752 12.431 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.704 13.250 13.646 1.00 0.00 N ATOM 0 H LYS B 60 -8.382 15.622 9.938 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.259 17.028 11.370 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.480 14.647 9.581 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.966 15.530 9.583 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.876 15.273 12.086 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.322 14.286 12.002 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.176 12.606 10.637 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.761 13.628 10.483 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.080 11.666 12.387 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.941 12.992 12.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.429 12.674 14.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.442 14.242 13.816 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.732 13.183 13.505 1.00 0.00 H new ATOM 1243 N ALA B 61 -5.298 18.339 9.361 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.967 19.294 8.314 1.00 0.00 C ATOM 1245 C ALA B 61 -4.543 18.577 7.054 1.00 0.00 C ATOM 1246 O ALA B 61 -4.270 19.197 6.029 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.857 20.202 8.774 1.00 0.00 C ATOM 0 H ALA B 61 -4.632 18.307 10.133 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.856 19.888 8.100 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.617 20.913 7.983 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -4.176 20.744 9.664 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.974 19.607 9.008 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.482 17.269 7.146 1.00 0.00 N ATOM 1254 CA LYS B 62 -4.085 16.461 6.035 1.00 0.00 C ATOM 1255 C LYS B 62 -4.908 15.185 5.991 1.00 0.00 C ATOM 1256 O LYS B 62 -5.415 14.725 7.015 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.606 16.107 6.140 1.00 0.00 C ATOM 1258 CG LYS B 62 -2.220 15.507 7.484 1.00 0.00 C ATOM 1259 CD LYS B 62 -1.568 16.542 8.382 1.00 0.00 C ATOM 1260 CE LYS B 62 -1.108 15.932 9.691 1.00 0.00 C ATOM 1261 NZ LYS B 62 -0.338 16.904 10.510 1.00 0.00 N ATOM 0 H LYS B 62 -4.706 16.745 7.992 1.00 0.00 H new ATOM 0 HA LYS B 62 -4.254 17.029 5.120 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -2.352 15.401 5.349 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -2.012 17.005 5.968 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -3.107 15.105 7.973 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -1.535 14.673 7.329 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.716 16.987 7.867 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -2.275 17.347 8.583 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -1.974 15.586 10.255 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.490 15.057 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 0.656 16.602 10.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.391 17.846 10.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -0.740 16.945 11.468 1.00 0.00 H new ATOM 1275 N ILE B 63 -5.038 14.628 4.809 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.764 13.391 4.617 1.00 0.00 C ATOM 1277 C ILE B 63 -4.736 12.270 4.530 1.00 0.00 C ATOM 1278 O ILE B 63 -3.723 12.433 3.861 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.618 13.464 3.333 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.807 14.404 3.539 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -7.099 12.090 2.922 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.571 15.819 3.048 1.00 0.00 C ATOM 0 H ILE B 63 -4.644 15.018 3.953 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.448 13.209 5.446 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.993 13.857 2.532 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.675 13.992 3.024 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -8.052 14.436 4.601 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.698 12.170 2.015 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.241 11.445 2.734 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.706 11.663 3.721 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.461 16.421 3.231 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.724 16.252 3.580 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.358 15.802 1.979 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.945 11.143 5.202 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.920 10.095 5.162 1.00 0.00 C ATOM 1296 C GLN B 64 -4.476 8.696 5.004 1.00 0.00 C ATOM 1297 O GLN B 64 -5.663 8.444 5.186 1.00 0.00 O ATOM 1298 CB GLN B 64 -3.053 10.108 6.421 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.556 11.475 6.842 1.00 0.00 C ATOM 1300 CD GLN B 64 -2.027 11.474 8.260 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -2.550 10.571 9.093 1.00 0.00 O flip ATOM 1302 NE2 GLN B 64 -1.157 12.271 8.605 1.00 0.00 N flip ATOM 0 H GLN B 64 -5.773 10.932 5.758 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.329 10.333 4.278 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.625 9.677 7.243 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.192 9.459 6.258 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.769 11.800 6.162 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -3.368 12.198 6.758 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -0.786 12.944 7.934 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -0.806 12.260 9.562 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.583 7.807 4.616 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.872 6.401 4.458 1.00 0.00 C ATOM 1313 C LEU B 65 -2.671 5.630 4.989 1.00 0.00 C ATOM 1314 O LEU B 65 -1.577 6.176 5.020 1.00 0.00 O ATOM 1315 CB LEU B 65 -4.066 6.051 2.989 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.987 4.870 2.715 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.412 5.347 2.525 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.506 4.087 1.511 1.00 0.00 C ATOM 0 H LEU B 65 -2.617 8.050 4.398 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.786 6.149 4.996 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.462 6.926 2.474 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -3.090 5.838 2.552 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.966 4.203 3.576 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -7.059 4.492 2.330 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.748 5.858 3.427 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.456 6.035 1.681 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -5.177 3.247 1.331 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.495 4.736 0.636 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.499 3.713 1.698 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.850 4.406 5.447 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.710 3.641 5.934 1.00 0.00 C ATOM 1332 C GLN B 66 -1.847 2.169 5.590 1.00 0.00 C ATOM 1333 O GLN B 66 -2.938 1.602 5.627 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.504 3.822 7.443 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.242 2.817 8.306 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.849 2.881 9.772 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.922 1.886 10.483 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.437 4.049 10.237 1.00 0.00 N ATOM 0 H GLN B 66 -3.749 3.926 5.494 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.827 4.032 5.428 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.438 3.755 7.661 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.824 4.826 7.722 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.314 2.990 8.217 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.048 1.813 7.929 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.389 4.857 9.616 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.168 4.142 11.216 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.729 1.571 5.234 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.681 0.165 4.895 1.00 0.00 C ATOM 1349 C LEU B 67 -0.215 -0.643 6.087 1.00 0.00 C ATOM 1350 O LEU B 67 0.967 -0.646 6.414 1.00 0.00 O ATOM 1351 CB LEU B 67 0.283 -0.074 3.741 1.00 0.00 C ATOM 1352 CG LEU B 67 -0.155 0.453 2.381 1.00 0.00 C ATOM 1353 CD1 LEU B 67 0.905 0.127 1.343 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.497 -0.142 1.981 1.00 0.00 C ATOM 0 H LEU B 67 0.171 2.046 5.172 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.684 -0.145 4.603 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.240 0.382 3.994 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.455 -1.147 3.654 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.273 1.535 2.441 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.590 0.505 0.370 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.848 0.595 1.626 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.039 -0.953 1.287 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.792 0.247 1.007 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.412 -1.227 1.928 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.250 0.127 2.722 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.136 -1.312 6.743 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.792 -2.129 7.888 1.00 0.00 C ATOM 1368 C VAL B 68 -0.405 -3.514 7.400 1.00 0.00 C ATOM 1369 O VAL B 68 -1.249 -4.299 6.980 1.00 0.00 O ATOM 1370 CB VAL B 68 -1.957 -2.215 8.884 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.478 -2.749 10.218 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.600 -0.851 9.055 1.00 0.00 C ATOM 0 H VAL B 68 -2.128 -1.308 6.505 1.00 0.00 H new ATOM 0 HA VAL B 68 0.047 -1.672 8.412 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.703 -2.905 8.489 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.318 -2.803 10.911 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.056 -3.745 10.081 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.715 -2.084 10.623 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.425 -0.924 9.764 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.860 -0.145 9.431 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.977 -0.504 8.093 1.00 0.00 H new ATOM 1382 N LEU B 69 0.878 -3.802 7.432 1.00 0.00 N ATOM 1383 CA LEU B 69 1.383 -5.071 6.939 1.00 0.00 C ATOM 1384 C LEU B 69 1.450 -6.118 8.031 1.00 0.00 C ATOM 1385 O LEU B 69 1.511 -5.795 9.215 1.00 0.00 O ATOM 1386 CB LEU B 69 2.772 -4.876 6.348 1.00 0.00 C ATOM 1387 CG LEU B 69 3.000 -3.513 5.709 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.435 -3.368 5.276 1.00 0.00 C ATOM 1389 CD2 LEU B 69 2.078 -3.319 4.525 1.00 0.00 C ATOM 0 H LEU B 69 1.595 -3.174 7.795 1.00 0.00 H new ATOM 0 HA LEU B 69 0.691 -5.424 6.175 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.512 -5.023 7.135 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.946 -5.648 5.599 1.00 0.00 H new ATOM 0 HG LEU B 69 2.779 -2.747 6.452 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.581 -2.388 4.821 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.088 -3.466 6.143 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.676 -4.144 4.550 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.256 -2.339 4.082 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.271 -4.093 3.783 1.00 0.00 H new ATOM 0 HD23 LEU B 69 1.042 -3.384 4.856 1.00 0.00 H new ATOM 1401 N HIS B 70 1.456 -7.382 7.624 1.00 0.00 N ATOM 1402 CA HIS B 70 1.558 -8.473 8.580 1.00 0.00 C ATOM 1403 C HIS B 70 3.017 -8.656 8.965 1.00 0.00 C ATOM 1404 O HIS B 70 3.364 -9.498 9.787 1.00 0.00 O ATOM 1405 CB HIS B 70 0.976 -9.791 8.039 1.00 0.00 C ATOM 1406 CG HIS B 70 0.977 -9.917 6.545 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.126 -9.679 5.761 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.969 -10.277 5.688 1.00 0.00 C ATOM 1409 CE1 HIS B 70 0.223 -9.894 4.493 1.00 0.00 C ATOM 1410 NE2 HIS B 70 1.477 -10.267 4.403 1.00 0.00 N ATOM 0 H HIS B 70 1.392 -7.673 6.648 1.00 0.00 H new ATOM 0 HA HIS B 70 0.965 -8.210 9.456 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.544 -10.621 8.459 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.049 -9.892 8.397 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.047 -9.390 6.090 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.980 -10.530 5.970 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.441 -9.776 3.649 1.00 0.00 H new ATOM 1418 N ALA B 71 3.857 -7.837 8.343 1.00 0.00 N ATOM 1419 CA ALA B 71 5.287 -7.845 8.587 1.00 0.00 C ATOM 1420 C ALA B 71 5.605 -7.127 9.894 1.00 0.00 C ATOM 1421 O ALA B 71 6.728 -7.185 10.391 1.00 0.00 O ATOM 1422 CB ALA B 71 6.003 -7.176 7.421 1.00 0.00 C ATOM 0 H ALA B 71 3.560 -7.147 7.653 1.00 0.00 H new ATOM 0 HA ALA B 71 5.632 -8.875 8.673 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.078 -7.181 7.603 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.788 -7.720 6.501 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.656 -6.147 7.323 1.00 0.00 H new ATOM 1428 N GLY B 72 4.600 -6.451 10.442 1.00 0.00 N ATOM 1429 CA GLY B 72 4.777 -5.724 11.682 1.00 0.00 C ATOM 1430 C GLY B 72 5.058 -4.256 11.445 1.00 0.00 C ATOM 1431 O GLY B 72 5.456 -3.538 12.361 1.00 0.00 O ATOM 0 H GLY B 72 3.662 -6.395 10.045 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.881 -5.827 12.294 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.600 -6.164 12.246 1.00 0.00 H new ATOM 1435 N ASP B 73 4.841 -3.809 10.214 1.00 0.00 N ATOM 1436 CA ASP B 73 5.082 -2.413 9.855 1.00 0.00 C ATOM 1437 C ASP B 73 3.849 -1.796 9.218 1.00 0.00 C ATOM 1438 O ASP B 73 2.977 -2.503 8.709 1.00 0.00 O ATOM 1439 CB ASP B 73 6.281 -2.290 8.900 1.00 0.00 C ATOM 1440 CG ASP B 73 6.538 -0.852 8.458 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.609 -0.606 7.237 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.645 0.037 9.332 1.00 0.00 O ATOM 0 H ASP B 73 4.500 -4.389 9.448 1.00 0.00 H new ATOM 0 HA ASP B 73 5.310 -1.871 10.773 1.00 0.00 H new ATOM 0 HB2 ASP B 73 7.173 -2.679 9.391 1.00 0.00 H new ATOM 0 HB3 ASP B 73 6.105 -2.910 8.021 1.00 0.00 H new ATOM 1447 N THR B 74 3.779 -0.479 9.264 1.00 0.00 N ATOM 1448 CA THR B 74 2.679 0.259 8.683 1.00 0.00 C ATOM 1449 C THR B 74 3.240 1.349 7.772 1.00 0.00 C ATOM 1450 O THR B 74 4.150 2.079 8.162 1.00 0.00 O ATOM 1451 CB THR B 74 1.790 0.890 9.770 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.600 1.537 10.760 1.00 0.00 O ATOM 1453 CG2 THR B 74 0.926 -0.166 10.438 1.00 0.00 C ATOM 0 H THR B 74 4.486 0.108 9.707 1.00 0.00 H new ATOM 0 HA THR B 74 2.060 -0.430 8.108 1.00 0.00 H new ATOM 0 HB THR B 74 1.144 1.626 9.292 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.023 1.936 11.445 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.306 0.302 11.203 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.287 -0.639 9.692 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.564 -0.920 10.899 1.00 0.00 H new ATOM 1461 N THR B 75 2.714 1.443 6.566 1.00 0.00 N ATOM 1462 CA THR B 75 3.176 2.430 5.603 1.00 0.00 C ATOM 1463 C THR B 75 2.185 3.591 5.475 1.00 0.00 C ATOM 1464 O THR B 75 1.128 3.443 4.867 1.00 0.00 O ATOM 1465 CB THR B 75 3.374 1.761 4.228 1.00 0.00 C ATOM 1466 OG1 THR B 75 3.935 0.452 4.406 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.289 2.592 3.342 1.00 0.00 C ATOM 0 H THR B 75 1.961 0.844 6.226 1.00 0.00 H new ATOM 0 HA THR B 75 4.125 2.832 5.958 1.00 0.00 H new ATOM 0 HB THR B 75 2.402 1.684 3.741 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.059 0.027 3.531 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.411 2.097 2.379 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.851 3.578 3.190 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.262 2.698 3.822 1.00 0.00 H new ATOM 1475 N ASN B 76 2.527 4.742 6.046 1.00 0.00 N ATOM 1476 CA ASN B 76 1.648 5.912 5.990 1.00 0.00 C ATOM 1477 C ASN B 76 1.796 6.671 4.684 1.00 0.00 C ATOM 1478 O ASN B 76 2.901 6.880 4.187 1.00 0.00 O ATOM 1479 CB ASN B 76 1.914 6.881 7.146 1.00 0.00 C ATOM 1480 CG ASN B 76 1.064 6.609 8.371 1.00 0.00 C ATOM 1481 OD1 ASN B 76 0.633 5.484 8.609 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.821 7.639 9.163 1.00 0.00 N ATOM 0 H ASN B 76 3.401 4.892 6.551 1.00 0.00 H new ATOM 0 HA ASN B 76 0.633 5.523 6.069 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.966 6.823 7.424 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.730 7.900 6.805 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.258 7.514 10.005 1.00 0.00 H new ATOM 0 HD22 ASN B 76 1.196 8.559 8.933 1.00 0.00 H new ATOM 1489 N PHE B 77 0.667 7.069 4.138 1.00 0.00 N ATOM 1490 CA PHE B 77 0.619 7.836 2.915 1.00 0.00 C ATOM 1491 C PHE B 77 -0.098 9.144 3.192 1.00 0.00 C ATOM 1492 O PHE B 77 -1.303 9.174 3.455 1.00 0.00 O ATOM 1493 CB PHE B 77 -0.061 7.043 1.802 1.00 0.00 C ATOM 1494 CG PHE B 77 0.825 5.964 1.253 1.00 0.00 C ATOM 1495 CD1 PHE B 77 0.480 4.631 1.376 1.00 0.00 C ATOM 1496 CD2 PHE B 77 2.017 6.292 0.627 1.00 0.00 C ATOM 1497 CE1 PHE B 77 1.309 3.642 0.880 1.00 0.00 C ATOM 1498 CE2 PHE B 77 2.845 5.310 0.129 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.492 3.984 0.255 1.00 0.00 C ATOM 0 H PHE B 77 -0.250 6.867 4.535 1.00 0.00 H new ATOM 0 HA PHE B 77 1.631 8.051 2.572 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.979 6.597 2.184 1.00 0.00 H new ATOM 0 HB3 PHE B 77 -0.347 7.721 0.998 1.00 0.00 H new ATOM 0 HD1 PHE B 77 -0.445 4.360 1.864 1.00 0.00 H new ATOM 0 HD2 PHE B 77 2.300 7.330 0.528 1.00 0.00 H new ATOM 0 HE1 PHE B 77 1.032 2.603 0.981 1.00 0.00 H new ATOM 0 HE2 PHE B 77 3.770 5.579 -0.360 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.140 3.213 -0.135 1.00 0.00 H new ATOM 1509 N HIS B 78 0.668 10.208 3.148 1.00 0.00 N ATOM 1510 CA HIS B 78 0.187 11.545 3.437 1.00 0.00 C ATOM 1511 C HIS B 78 -0.404 12.213 2.202 1.00 0.00 C ATOM 1512 O HIS B 78 0.326 12.743 1.374 1.00 0.00 O ATOM 1513 CB HIS B 78 1.374 12.357 3.927 1.00 0.00 C ATOM 1514 CG HIS B 78 1.060 13.449 4.886 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.564 13.492 6.161 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.353 14.591 4.719 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.167 14.635 6.723 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.431 15.342 5.887 1.00 0.00 N ATOM 0 H HIS B 78 1.659 10.172 2.907 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.603 11.490 4.186 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.085 11.678 4.399 1.00 0.00 H new ATOM 0 HB3 HIS B 78 1.875 12.792 3.062 1.00 0.00 H new ATOM 0 HD1 HIS B 78 2.141 12.776 6.602 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -0.184 14.873 3.825 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.415 14.941 7.729 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.720 12.190 2.090 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.404 12.816 0.967 1.00 0.00 C ATOM 1528 C PHE B 79 -2.442 14.328 1.182 1.00 0.00 C ATOM 1529 O PHE B 79 -3.331 14.848 1.859 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.831 12.276 0.842 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.917 10.882 0.296 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.857 9.778 1.135 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -4.070 10.676 -1.059 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.951 8.497 0.622 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.161 9.400 -1.574 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.103 8.310 -0.739 1.00 0.00 C ATOM 0 H PHE B 79 -2.341 11.743 2.765 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.865 12.587 0.048 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.303 12.299 1.824 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.404 12.942 0.197 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.736 9.921 2.199 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -4.119 11.525 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -3.906 7.645 1.284 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.278 9.257 -2.638 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.176 7.312 -1.144 1.00 0.00 H new ATOM 1546 N SER B 80 -1.469 15.028 0.621 1.00 0.00 N ATOM 1547 CA SER B 80 -1.385 16.474 0.784 1.00 0.00 C ATOM 1548 C SER B 80 -1.902 17.234 -0.436 1.00 0.00 C ATOM 1549 O SER B 80 -1.867 18.464 -0.463 1.00 0.00 O ATOM 1550 CB SER B 80 0.059 16.880 1.091 1.00 0.00 C ATOM 1551 OG SER B 80 0.983 15.983 0.496 1.00 0.00 O ATOM 0 H SER B 80 -0.728 14.622 0.050 1.00 0.00 H new ATOM 0 HA SER B 80 -2.029 16.744 1.620 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.241 17.890 0.724 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.212 16.901 2.170 1.00 0.00 H new ATOM 0 HG SER B 80 0.633 15.678 -0.367 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.378 16.517 -1.447 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.901 17.173 -2.641 1.00 0.00 C ATOM 1559 C ASN B 81 -4.322 17.662 -2.383 1.00 0.00 C ATOM 1560 O ASN B 81 -5.286 16.940 -2.608 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.870 16.226 -3.849 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.269 16.905 -5.155 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.651 16.237 -6.117 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -3.178 18.226 -5.211 1.00 0.00 N ATOM 0 H ASN B 81 -2.413 15.498 -1.466 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.266 18.029 -2.871 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -1.867 15.813 -3.953 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.542 15.388 -3.663 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -3.428 18.719 -6.069 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.858 18.750 -4.397 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.424 18.904 -1.926 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.701 19.549 -1.595 1.00 0.00 C ATOM 1573 C GLU B 82 -6.800 19.281 -2.627 1.00 0.00 C ATOM 1574 O GLU B 82 -7.960 19.062 -2.267 1.00 0.00 O ATOM 1575 CB GLU B 82 -5.511 21.069 -1.442 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.205 21.620 -2.019 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.987 21.253 -3.476 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -2.995 20.549 -3.764 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -4.825 21.627 -4.323 1.00 0.00 O ATOM 0 H GLU B 82 -3.614 19.505 -1.771 1.00 0.00 H new ATOM 0 HA GLU B 82 -6.026 19.109 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -6.346 21.575 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -5.557 21.321 -0.382 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -4.203 22.706 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -3.369 21.245 -1.429 1.00 0.00 H new ATOM 1586 N SER B 83 -6.425 19.290 -3.897 1.00 0.00 N ATOM 1587 CA SER B 83 -7.359 19.079 -4.989 1.00 0.00 C ATOM 1588 C SER B 83 -8.176 17.795 -4.846 1.00 0.00 C ATOM 1589 O SER B 83 -9.413 17.838 -4.790 1.00 0.00 O ATOM 1590 CB SER B 83 -6.599 19.064 -6.316 1.00 0.00 C ATOM 1591 OG SER B 83 -5.369 19.768 -6.218 1.00 0.00 O ATOM 0 H SER B 83 -5.463 19.444 -4.198 1.00 0.00 H new ATOM 0 HA SER B 83 -8.069 19.905 -4.963 1.00 0.00 H new ATOM 0 HB2 SER B 83 -6.407 18.034 -6.615 1.00 0.00 H new ATOM 0 HB3 SER B 83 -7.215 19.513 -7.095 1.00 0.00 H new ATOM 0 HG SER B 83 -5.454 20.484 -5.554 1.00 0.00 H new ATOM 1597 N THR B 84 -7.515 16.653 -4.789 1.00 0.00 N ATOM 1598 CA THR B 84 -8.241 15.399 -4.728 1.00 0.00 C ATOM 1599 C THR B 84 -7.832 14.466 -3.585 1.00 0.00 C ATOM 1600 O THR B 84 -8.319 13.351 -3.536 1.00 0.00 O ATOM 1601 CB THR B 84 -8.101 14.683 -6.082 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.723 14.656 -6.484 1.00 0.00 O ATOM 1603 CG2 THR B 84 -8.913 15.422 -7.137 1.00 0.00 C ATOM 0 H THR B 84 -6.499 16.568 -4.784 1.00 0.00 H new ATOM 0 HA THR B 84 -9.279 15.653 -4.515 1.00 0.00 H new ATOM 0 HB THR B 84 -8.469 13.662 -5.981 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.152 14.588 -5.690 1.00 0.00 H new ATOM 0 HG21 THR B 84 -8.813 14.913 -8.096 1.00 0.00 H new ATOM 0 HG22 THR B 84 -9.962 15.438 -6.843 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.546 16.444 -7.229 1.00 0.00 H new ATOM 1611 N ALA B 85 -7.003 14.938 -2.655 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.504 14.114 -1.533 1.00 0.00 C ATOM 1613 C ALA B 85 -7.575 13.244 -0.880 1.00 0.00 C ATOM 1614 O ALA B 85 -7.370 12.050 -0.693 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.859 14.994 -0.475 1.00 0.00 C ATOM 0 H ALA B 85 -6.654 15.897 -2.649 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.769 13.437 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.497 14.372 0.344 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -5.023 15.538 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.594 15.703 -0.094 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.701 13.841 -0.517 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.788 13.099 0.118 1.00 0.00 C ATOM 1623 C VAL B 86 -10.267 11.954 -0.785 1.00 0.00 C ATOM 1624 O VAL B 86 -10.312 10.799 -0.367 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.964 14.047 0.465 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.298 13.311 0.495 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.721 14.733 1.797 1.00 0.00 C ATOM 0 H VAL B 86 -8.889 14.835 -0.650 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.409 12.666 1.044 1.00 0.00 H new ATOM 0 HB VAL B 86 -11.015 14.799 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -13.095 14.012 0.742 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.493 12.870 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.262 12.523 1.247 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.557 15.394 2.024 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.629 13.982 2.582 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.802 15.316 1.744 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.577 12.284 -2.034 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.045 11.296 -3.007 1.00 0.00 C ATOM 1639 C LYS B 87 -9.927 10.313 -3.325 1.00 0.00 C ATOM 1640 O LYS B 87 -10.171 9.134 -3.556 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.503 12.006 -4.288 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.368 13.234 -4.033 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.744 14.489 -4.633 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.553 15.736 -4.302 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.995 16.957 -4.954 1.00 0.00 N ATOM 0 H LYS B 87 -10.513 13.234 -2.401 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.887 10.748 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.625 12.304 -4.861 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.061 11.301 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.358 13.078 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.502 13.370 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.727 14.605 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.673 14.378 -5.715 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.585 15.594 -4.623 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.572 15.879 -3.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.596 17.776 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -11.031 17.128 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -11.969 16.819 -5.985 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.703 10.818 -3.343 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.533 10.001 -3.590 1.00 0.00 C ATOM 1661 C GLU B 88 -7.401 8.979 -2.471 1.00 0.00 C ATOM 1662 O GLU B 88 -7.214 7.795 -2.728 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.288 10.888 -3.715 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.019 11.328 -5.147 1.00 0.00 C ATOM 1665 CD GLU B 88 -4.968 12.416 -5.257 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -3.923 12.184 -5.904 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -5.198 13.523 -4.739 1.00 0.00 O ATOM 0 H GLU B 88 -8.497 11.805 -3.187 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.637 9.463 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.411 11.770 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.421 10.345 -3.338 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.699 10.464 -5.730 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -6.949 11.685 -5.590 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.542 9.444 -1.230 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.493 8.569 -0.061 1.00 0.00 C ATOM 1676 C ARG B 89 -8.528 7.481 -0.226 1.00 0.00 C ATOM 1677 O ARG B 89 -8.253 6.298 -0.057 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.818 9.353 1.213 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.745 8.534 2.490 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.621 9.145 3.574 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.947 9.512 3.065 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.672 10.538 3.520 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.239 11.282 4.530 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.846 10.811 2.969 1.00 0.00 N ATOM 0 H ARG B 89 -7.692 10.428 -1.009 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.491 8.148 0.022 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -7.128 10.193 1.294 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.820 9.772 1.121 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.065 7.511 2.290 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.713 8.483 2.836 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.731 8.436 4.394 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.131 10.030 3.981 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.342 8.946 2.314 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.342 11.074 4.969 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.803 12.062 4.867 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.194 10.239 2.200 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.402 11.594 3.314 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.720 7.922 -0.575 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.855 7.051 -0.778 1.00 0.00 C ATOM 1700 C ASP B 90 -10.627 6.048 -1.904 1.00 0.00 C ATOM 1701 O ASP B 90 -10.920 4.877 -1.737 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.105 7.902 -1.012 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.830 8.186 0.289 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -12.520 9.207 0.938 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -13.682 7.361 0.683 1.00 0.00 O ATOM 0 H ASP B 90 -9.928 8.909 -0.727 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.996 6.451 0.121 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.824 8.842 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.775 7.386 -1.699 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.088 6.493 -3.032 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.828 5.592 -4.158 1.00 0.00 C ATOM 1712 C ALA B 91 -8.707 4.607 -3.827 1.00 0.00 C ATOM 1713 O ALA B 91 -8.812 3.425 -4.148 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.491 6.385 -5.413 1.00 0.00 C ATOM 0 H ALA B 91 -9.822 7.464 -3.195 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.736 5.018 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.301 5.698 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.328 7.036 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.602 6.990 -5.233 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.630 5.092 -3.202 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.528 4.216 -2.800 1.00 0.00 C ATOM 1722 C VAL B 92 -7.089 3.190 -1.824 1.00 0.00 C ATOM 1723 O VAL B 92 -6.818 1.996 -1.924 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.373 4.997 -2.132 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.229 4.067 -1.768 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.867 6.094 -3.048 1.00 0.00 C ATOM 0 H VAL B 92 -7.499 6.076 -2.966 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.112 3.738 -3.687 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.762 5.448 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.429 4.640 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.585 3.307 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.850 3.586 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.055 6.631 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.503 5.654 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.679 6.787 -3.269 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.915 3.687 -0.905 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.579 2.857 0.089 1.00 0.00 C ATOM 1738 C LYS B 93 -9.459 1.829 -0.603 1.00 0.00 C ATOM 1739 O LYS B 93 -9.311 0.632 -0.393 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.443 3.737 1.004 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.333 2.961 1.966 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.804 3.075 1.582 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.282 4.519 1.624 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.488 4.741 0.782 1.00 0.00 N ATOM 0 H LYS B 93 -8.141 4.679 -0.832 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.825 2.343 0.686 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.790 4.392 1.581 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.070 4.378 0.385 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.037 1.912 1.971 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.190 3.337 2.979 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -11.952 2.671 0.581 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -12.406 2.472 2.261 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.506 4.795 2.654 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.480 5.175 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.725 5.754 0.775 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.296 4.424 -0.190 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -14.287 4.201 1.171 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.361 2.329 -1.435 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.300 1.509 -2.189 1.00 0.00 C ATOM 1760 C ASP B 94 -10.595 0.428 -2.983 1.00 0.00 C ATOM 1761 O ASP B 94 -10.885 -0.752 -2.822 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.129 2.400 -3.118 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.416 2.871 -2.469 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -13.394 3.184 -1.258 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -14.448 2.924 -3.164 1.00 0.00 O ATOM 0 H ASP B 94 -10.463 3.329 -1.608 1.00 0.00 H new ATOM 0 HA ASP B 94 -11.958 1.009 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.535 3.266 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.365 1.851 -4.029 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.651 0.833 -3.815 1.00 0.00 N ATOM 1771 CA LEU B 95 -8.908 -0.104 -4.644 1.00 0.00 C ATOM 1772 C LEU B 95 -8.144 -1.103 -3.786 1.00 0.00 C ATOM 1773 O LEU B 95 -8.118 -2.279 -4.100 1.00 0.00 O ATOM 1774 CB LEU B 95 -7.948 0.656 -5.564 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.496 -0.102 -6.812 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.685 -0.424 -7.704 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.457 0.702 -7.576 1.00 0.00 C ATOM 0 H LEU B 95 -9.379 1.809 -3.935 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.618 -0.660 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.429 1.583 -5.877 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.065 0.934 -4.989 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.041 -1.041 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.342 -0.964 -8.587 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.395 -1.042 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.171 0.502 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.147 0.147 -8.461 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.886 1.657 -7.878 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.592 0.879 -6.937 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.537 -0.646 -2.700 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.802 -1.547 -1.816 1.00 0.00 C ATOM 1791 C LEU B 96 -7.764 -2.473 -1.083 1.00 0.00 C ATOM 1792 O LEU B 96 -7.508 -3.653 -0.969 1.00 0.00 O ATOM 1793 CB LEU B 96 -5.975 -0.765 -0.798 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.661 -0.191 -1.314 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.156 0.885 -0.369 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.627 -1.291 -1.460 1.00 0.00 C ATOM 0 H LEU B 96 -7.537 0.332 -2.410 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.127 -2.140 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.583 0.055 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.758 -1.420 0.046 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.833 0.255 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.217 1.289 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.894 1.685 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.995 0.455 0.619 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.694 -0.866 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.454 -1.759 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.989 -2.039 -2.165 1.00 0.00 H new ATOM 1808 N GLN B 97 -8.881 -1.946 -0.595 1.00 0.00 N ATOM 1809 CA GLN B 97 -9.865 -2.776 0.105 1.00 0.00 C ATOM 1810 C GLN B 97 -10.475 -3.768 -0.873 1.00 0.00 C ATOM 1811 O GLN B 97 -11.081 -4.766 -0.492 1.00 0.00 O ATOM 1812 CB GLN B 97 -10.961 -1.917 0.742 1.00 0.00 C ATOM 1813 CG GLN B 97 -10.497 -1.157 1.974 1.00 0.00 C ATOM 1814 CD GLN B 97 -9.858 -2.059 3.011 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -8.661 -2.346 2.951 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -10.645 -2.502 3.973 1.00 0.00 N ATOM 0 H GLN B 97 -9.130 -0.960 -0.668 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.359 -3.316 0.906 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.329 -1.205 0.003 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -11.801 -2.557 1.014 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -9.782 -0.390 1.675 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.348 -0.643 2.421 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.631 -2.241 3.986 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -10.267 -3.106 4.703 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.318 -3.451 -2.143 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.790 -4.279 -3.230 1.00 0.00 C ATOM 1827 C GLN B 98 -9.742 -5.330 -3.569 1.00 0.00 C ATOM 1828 O GLN B 98 -10.011 -6.530 -3.633 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.017 -3.392 -4.464 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.398 -2.765 -4.554 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.514 -3.707 -4.165 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -13.464 -4.911 -4.433 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.526 -3.158 -3.519 1.00 0.00 N ATOM 0 H GLN B 98 -9.852 -2.598 -2.451 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.718 -4.771 -2.937 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.272 -2.597 -4.464 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.846 -3.989 -5.360 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.433 -1.887 -3.909 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.565 -2.418 -5.574 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.522 -2.158 -3.320 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -15.312 -3.734 -3.218 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.542 -4.830 -3.757 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.376 -5.598 -4.152 1.00 0.00 C ATOM 1844 C LEU B 99 -6.725 -6.413 -3.028 1.00 0.00 C ATOM 1845 O LEU B 99 -6.458 -7.601 -3.204 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.377 -4.598 -4.726 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.604 -4.254 -6.200 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.808 -3.020 -6.593 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.248 -5.432 -7.090 1.00 0.00 C ATOM 0 H LEU B 99 -8.340 -3.838 -3.635 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.693 -6.349 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.423 -3.680 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.371 -5.001 -4.610 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.662 -4.034 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.984 -2.793 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.123 -2.174 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.746 -3.207 -6.435 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.417 -5.164 -8.133 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.199 -5.692 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.872 -6.287 -6.829 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.494 -5.785 -1.882 1.00 0.00 N ATOM 1862 CA LEU B 100 -5.817 -6.430 -0.752 1.00 0.00 C ATOM 1863 C LEU B 100 -6.377 -7.809 -0.390 1.00 0.00 C ATOM 1864 O LEU B 100 -5.628 -8.776 -0.392 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.790 -5.525 0.483 1.00 0.00 C ATOM 1866 CG LEU B 100 -4.748 -4.415 0.404 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.640 -3.644 1.708 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.403 -4.989 0.035 1.00 0.00 C ATOM 0 H LEU B 100 -6.767 -4.818 -1.705 1.00 0.00 H new ATOM 0 HA LEU B 100 -4.796 -6.595 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.775 -5.078 0.617 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.593 -6.134 1.365 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.072 -3.718 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -3.886 -2.863 1.608 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.603 -3.191 1.944 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.353 -4.324 2.510 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.667 -4.187 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.097 -5.713 0.790 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.472 -5.483 -0.934 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.689 -7.943 -0.096 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.282 -9.238 0.286 1.00 0.00 C ATOM 1882 C PRO B 101 -8.082 -10.346 -0.752 1.00 0.00 C ATOM 1883 O PRO B 101 -8.269 -11.521 -0.448 1.00 0.00 O ATOM 1884 CB PRO B 101 -9.776 -8.929 0.447 1.00 0.00 C ATOM 1885 CG PRO B 101 -9.984 -7.636 -0.261 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.702 -6.874 -0.104 1.00 0.00 C ATOM 0 HA PRO B 101 -7.804 -9.624 1.187 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.391 -9.718 0.014 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.051 -8.851 1.499 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.216 -7.799 -1.314 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -10.821 -7.085 0.168 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.545 -6.173 -0.924 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.686 -6.294 0.819 1.00 0.00 H new ATOM 1894 N LYS B 102 -7.703 -9.974 -1.967 1.00 0.00 N ATOM 1895 CA LYS B 102 -7.494 -10.956 -3.026 1.00 0.00 C ATOM 1896 C LYS B 102 -6.069 -11.508 -3.015 1.00 0.00 C ATOM 1897 O LYS B 102 -5.812 -12.579 -3.562 1.00 0.00 O ATOM 1898 CB LYS B 102 -7.795 -10.343 -4.396 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.149 -9.657 -4.484 1.00 0.00 C ATOM 1900 CD LYS B 102 -9.625 -9.559 -5.925 1.00 0.00 C ATOM 1901 CE LYS B 102 -10.385 -8.267 -6.184 1.00 0.00 C ATOM 1902 NZ LYS B 102 -11.491 -8.054 -5.209 1.00 0.00 N ATOM 0 H LYS B 102 -7.535 -9.007 -2.244 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.181 -11.781 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.016 -9.619 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.747 -11.127 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -9.879 -10.211 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.082 -8.659 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.767 -9.617 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.266 -10.410 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.694 -7.426 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -10.793 -8.285 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -12.270 -7.544 -5.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -11.834 -8.974 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -11.142 -7.494 -4.405 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.139 -10.782 -2.398 1.00 0.00 N ATOM 1917 CA PHE B 103 -3.744 -11.224 -2.367 1.00 0.00 C ATOM 1918 C PHE B 103 -3.170 -11.302 -0.947 1.00 0.00 C ATOM 1919 O PHE B 103 -2.161 -11.974 -0.734 1.00 0.00 O ATOM 1920 CB PHE B 103 -2.857 -10.281 -3.193 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.396 -9.921 -4.552 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -3.997 -8.692 -4.762 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -3.283 -10.797 -5.620 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -4.475 -8.340 -6.009 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -3.764 -10.452 -6.871 1.00 0.00 C ATOM 1926 CZ PHE B 103 -4.360 -9.219 -7.066 1.00 0.00 C ATOM 0 H PHE B 103 -5.320 -9.899 -1.920 1.00 0.00 H new ATOM 0 HA PHE B 103 -3.743 -12.228 -2.793 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -2.703 -9.363 -2.626 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -1.879 -10.745 -3.319 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.093 -7.999 -3.939 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -2.815 -11.759 -5.474 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -4.939 -7.376 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -3.674 -11.145 -7.694 1.00 0.00 H new ATOM 0 HZ PHE B 103 -4.734 -8.946 -8.042 1.00 0.00 H new