USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 464 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 LYS NZ :NH3+ -129:sc= -1.62! (180deg=-3.8!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.45) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -2:sc= 0.176 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 160:sc= 0 (180deg=-0.192) USER MOD Single : A 41 HIS : no HE2:sc= -9.47! C(o=-9.5!,f=-15!) USER MOD Single : A 43 SER OG : rot 180:sc= -1.29 USER MOD Single : A 48 SER OG : rot -101:sc= 0.544 USER MOD Single : A 53 MET CE :methyl -177:sc= -6.88! (180deg=-7.09!) USER MOD Single : A 54 SER OG : rot 179:sc= -2.73 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -109:sc= -0.521 (180deg=-3.03!) USER MOD Single : A 67 ASN : amide:sc= -3.44! C(o=-3.4!,f=-7.4!) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= -0.825 (180deg=-1.08) USER MOD Single : A 74 SER OG : rot 180:sc= -0.147 USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 11 3.013 10.789 2.808 1.00 0.00 N ATOM 23 CA LEU A 11 4.104 10.178 2.067 1.00 0.00 C ATOM 24 C LEU A 11 3.910 10.375 0.566 1.00 0.00 C ATOM 25 O LEU A 11 2.779 10.433 0.081 1.00 0.00 O ATOM 26 CB LEU A 11 4.213 8.686 2.400 1.00 0.00 C ATOM 27 CG LEU A 11 3.758 8.297 3.815 1.00 0.00 C ATOM 28 CD1 LEU A 11 2.502 7.441 3.756 1.00 0.00 C ATOM 29 CD2 LEU A 11 4.867 7.568 4.562 1.00 0.00 C ATOM 0 HA LEU A 11 5.033 10.666 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.620 8.125 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.250 8.376 2.271 1.00 0.00 H new ATOM 0 HG LEU A 11 3.527 9.212 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.195 7.175 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.703 8.000 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.707 6.533 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.520 7.303 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.136 6.662 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.740 8.216 4.641 1.00 0.00 H new ATOM 41 N GLN A 12 5.014 10.489 -0.166 1.00 0.00 N ATOM 42 CA GLN A 12 4.963 10.690 -1.598 1.00 0.00 C ATOM 43 C GLN A 12 4.547 9.405 -2.314 1.00 0.00 C ATOM 44 O GLN A 12 4.937 8.306 -1.923 1.00 0.00 O ATOM 45 CB GLN A 12 6.329 11.202 -2.082 1.00 0.00 C ATOM 46 CG GLN A 12 6.781 10.663 -3.427 1.00 0.00 C ATOM 47 CD GLN A 12 6.302 11.514 -4.588 1.00 0.00 C ATOM 48 OE1 GLN A 12 6.786 12.628 -4.795 1.00 0.00 O ATOM 49 NE2 GLN A 12 5.348 10.997 -5.353 1.00 0.00 N ATOM 0 H GLN A 12 5.958 10.444 0.218 1.00 0.00 H new ATOM 0 HA GLN A 12 4.208 11.439 -1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.292 12.290 -2.138 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.080 10.947 -1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.870 10.610 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.410 9.646 -3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.975 10.071 -5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.988 11.526 -6.147 1.00 0.00 H new ATOM 58 N ILE A 13 3.745 9.560 -3.363 1.00 0.00 N ATOM 59 CA ILE A 13 3.256 8.430 -4.142 1.00 0.00 C ATOM 60 C ILE A 13 4.368 7.763 -4.952 1.00 0.00 C ATOM 61 O ILE A 13 5.156 8.432 -5.619 1.00 0.00 O ATOM 62 CB ILE A 13 2.149 8.888 -5.103 1.00 0.00 C ATOM 63 CG1 ILE A 13 1.088 9.692 -4.343 1.00 0.00 C ATOM 64 CG2 ILE A 13 1.522 7.698 -5.809 1.00 0.00 C ATOM 65 CD1 ILE A 13 0.155 8.842 -3.507 1.00 0.00 C ATOM 0 H ILE A 13 3.418 10.467 -3.695 1.00 0.00 H new ATOM 0 HA ILE A 13 2.865 7.701 -3.432 1.00 0.00 H new ATOM 0 HB ILE A 13 2.593 9.532 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.587 10.411 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.498 10.264 -5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.741 8.046 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.286 7.169 -6.379 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.089 7.023 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.566 9.484 -3.001 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.374 8.140 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.732 8.289 -2.766 1.00 0.00 H new ATOM 77 N TYR A 14 4.410 6.433 -4.897 1.00 0.00 N ATOM 78 CA TYR A 14 5.403 5.660 -5.632 1.00 0.00 C ATOM 79 C TYR A 14 4.717 4.719 -6.621 1.00 0.00 C ATOM 80 O TYR A 14 3.551 4.366 -6.442 1.00 0.00 O ATOM 81 CB TYR A 14 6.273 4.849 -4.672 1.00 0.00 C ATOM 82 CG TYR A 14 6.945 5.678 -3.601 1.00 0.00 C ATOM 83 CD1 TYR A 14 7.372 6.974 -3.857 1.00 0.00 C ATOM 84 CD2 TYR A 14 7.155 5.158 -2.331 1.00 0.00 C ATOM 85 CE1 TYR A 14 7.991 7.728 -2.879 1.00 0.00 C ATOM 86 CE2 TYR A 14 7.771 5.905 -1.346 1.00 0.00 C ATOM 87 CZ TYR A 14 8.187 7.190 -1.625 1.00 0.00 C ATOM 88 OH TYR A 14 8.802 7.937 -0.647 1.00 0.00 O ATOM 0 H TYR A 14 3.763 5.868 -4.347 1.00 0.00 H new ATOM 0 HA TYR A 14 6.037 6.356 -6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.656 4.088 -4.194 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.038 4.326 -5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.218 7.400 -4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.831 4.152 -2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.320 8.734 -3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.926 5.485 -0.363 1.00 0.00 H new ATOM 0 HH TYR A 14 8.861 7.411 0.178 1.00 0.00 H new ATOM 98 N PRO A 15 5.424 4.310 -7.688 1.00 0.00 N ATOM 99 CA PRO A 15 4.866 3.419 -8.711 1.00 0.00 C ATOM 100 C PRO A 15 4.810 1.953 -8.277 1.00 0.00 C ATOM 101 O PRO A 15 5.254 1.068 -9.007 1.00 0.00 O ATOM 102 CB PRO A 15 5.831 3.593 -9.880 1.00 0.00 C ATOM 103 CG PRO A 15 7.138 3.915 -9.240 1.00 0.00 C ATOM 104 CD PRO A 15 6.815 4.698 -7.993 1.00 0.00 C ATOM 0 HA PRO A 15 3.830 3.670 -8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.896 2.685 -10.480 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.507 4.393 -10.546 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.687 3.005 -8.997 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.768 4.497 -9.913 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.490 4.445 -7.175 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.904 5.771 -8.160 1.00 0.00 H new ATOM 112 N TYR A 16 4.234 1.708 -7.102 1.00 0.00 N ATOM 113 CA TYR A 16 4.085 0.349 -6.569 1.00 0.00 C ATOM 114 C TYR A 16 5.414 -0.390 -6.474 1.00 0.00 C ATOM 115 O TYR A 16 5.941 -0.617 -5.385 1.00 0.00 O ATOM 116 CB TYR A 16 3.105 -0.450 -7.439 1.00 0.00 C ATOM 117 CG TYR A 16 2.851 -1.863 -6.951 1.00 0.00 C ATOM 118 CD1 TYR A 16 2.225 -2.098 -5.732 1.00 0.00 C ATOM 119 CD2 TYR A 16 3.233 -2.963 -7.714 1.00 0.00 C ATOM 120 CE1 TYR A 16 1.987 -3.387 -5.288 1.00 0.00 C ATOM 121 CE2 TYR A 16 2.998 -4.253 -7.274 1.00 0.00 C ATOM 122 CZ TYR A 16 2.374 -4.459 -6.062 1.00 0.00 C ATOM 123 OH TYR A 16 2.136 -5.742 -5.624 1.00 0.00 O ATOM 0 H TYR A 16 3.859 2.437 -6.494 1.00 0.00 H new ATOM 0 HA TYR A 16 3.694 0.442 -5.556 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.156 0.084 -7.481 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.492 -0.493 -8.457 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.919 -1.261 -5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.721 -2.807 -8.665 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.500 -3.552 -4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.302 -5.096 -7.877 1.00 0.00 H new ATOM 0 HH TYR A 16 1.716 -5.713 -4.739 1.00 0.00 H new ATOM 133 N GLU A 17 5.932 -0.771 -7.623 1.00 0.00 N ATOM 134 CA GLU A 17 7.192 -1.502 -7.718 1.00 0.00 C ATOM 135 C GLU A 17 8.270 -0.864 -6.852 1.00 0.00 C ATOM 136 O GLU A 17 9.180 -1.543 -6.375 1.00 0.00 O ATOM 137 CB GLU A 17 7.662 -1.559 -9.174 1.00 0.00 C ATOM 138 CG GLU A 17 7.533 -0.235 -9.909 1.00 0.00 C ATOM 139 CD GLU A 17 8.566 -0.075 -11.008 1.00 0.00 C ATOM 140 OE1 GLU A 17 9.765 -0.282 -10.730 1.00 0.00 O ATOM 141 OE2 GLU A 17 8.174 0.257 -12.147 1.00 0.00 O ATOM 0 H GLU A 17 5.494 -0.585 -8.525 1.00 0.00 H new ATOM 0 HA GLU A 17 7.018 -2.515 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.704 -1.878 -9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.084 -2.317 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.535 -0.159 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.636 0.583 -9.197 1.00 0.00 H new ATOM 148 N MET A 18 8.157 0.440 -6.646 1.00 0.00 N ATOM 149 CA MET A 18 9.117 1.167 -5.829 1.00 0.00 C ATOM 150 C MET A 18 9.100 0.632 -4.402 1.00 0.00 C ATOM 151 O MET A 18 10.117 0.631 -3.708 1.00 0.00 O ATOM 152 CB MET A 18 8.799 2.662 -5.836 1.00 0.00 C ATOM 153 CG MET A 18 9.726 3.476 -6.725 1.00 0.00 C ATOM 154 SD MET A 18 10.112 5.094 -6.028 1.00 0.00 S ATOM 155 CE MET A 18 10.408 6.042 -7.517 1.00 0.00 C ATOM 0 H MET A 18 7.410 1.016 -7.033 1.00 0.00 H new ATOM 0 HA MET A 18 10.113 1.023 -6.248 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.771 2.805 -6.169 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.859 3.043 -4.817 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.652 2.922 -6.882 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.263 3.607 -7.703 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.659 7.069 -7.251 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.234 5.598 -8.072 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.511 6.037 -8.136 1.00 0.00 H new ATOM 165 N LEU A 19 7.929 0.172 -3.985 1.00 0.00 N ATOM 166 CA LEU A 19 7.737 -0.383 -2.655 1.00 0.00 C ATOM 167 C LEU A 19 7.803 -1.903 -2.704 1.00 0.00 C ATOM 168 O LEU A 19 8.285 -2.554 -1.778 1.00 0.00 O ATOM 169 CB LEU A 19 6.376 0.042 -2.118 1.00 0.00 C ATOM 170 CG LEU A 19 6.115 1.548 -2.130 1.00 0.00 C ATOM 171 CD1 LEU A 19 4.692 1.837 -2.588 1.00 0.00 C ATOM 172 CD2 LEU A 19 6.375 2.141 -0.753 1.00 0.00 C ATOM 0 H LEU A 19 7.086 0.173 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 19 8.526 -0.012 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.601 -0.450 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.278 -0.320 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 19 6.800 2.017 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.522 2.914 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.547 1.444 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.987 1.360 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.185 3.214 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.714 1.672 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.412 1.963 -0.470 1.00 0.00 H new ATOM 380 N GLY A 32 10.959 7.284 3.999 1.00 0.00 N ATOM 381 CA GLY A 32 9.682 7.752 4.499 1.00 0.00 C ATOM 382 C GLY A 32 8.520 6.912 4.008 1.00 0.00 C ATOM 383 O GLY A 32 7.719 7.369 3.195 1.00 0.00 O ATOM 0 HA2 GLY A 32 9.697 7.743 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.533 8.787 4.191 1.00 0.00 H new ATOM 387 N VAL A 33 8.432 5.679 4.500 1.00 0.00 N ATOM 388 CA VAL A 33 7.374 4.772 4.115 1.00 0.00 C ATOM 389 C VAL A 33 6.601 4.270 5.316 1.00 0.00 C ATOM 390 O VAL A 33 7.116 4.198 6.431 1.00 0.00 O ATOM 391 CB VAL A 33 7.908 3.594 3.300 1.00 0.00 C ATOM 392 CG1 VAL A 33 6.854 2.509 3.136 1.00 0.00 C ATOM 393 CG2 VAL A 33 8.389 4.087 1.954 1.00 0.00 C ATOM 0 H VAL A 33 9.092 5.289 5.173 1.00 0.00 H new ATOM 0 HA VAL A 33 6.691 5.341 3.484 1.00 0.00 H new ATOM 0 HB VAL A 33 8.746 3.150 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.266 1.686 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.554 2.142 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.986 2.920 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.770 3.247 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.561 4.552 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.184 4.819 2.097 1.00 0.00 H new ATOM 403 N ASP A 34 5.344 3.951 5.068 1.00 0.00 N ATOM 404 CA ASP A 34 4.452 3.484 6.101 1.00 0.00 C ATOM 405 C ASP A 34 4.159 1.995 5.951 1.00 0.00 C ATOM 406 O ASP A 34 3.325 1.596 5.140 1.00 0.00 O ATOM 407 CB ASP A 34 3.161 4.286 6.019 1.00 0.00 C ATOM 408 CG ASP A 34 2.697 4.786 7.373 1.00 0.00 C ATOM 409 OD1 ASP A 34 2.389 3.943 8.243 1.00 0.00 O ATOM 410 OD2 ASP A 34 2.642 6.019 7.565 1.00 0.00 O ATOM 0 H ASP A 34 4.917 4.010 4.143 1.00 0.00 H new ATOM 0 HA ASP A 34 4.924 3.625 7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.308 5.136 5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.380 3.666 5.578 1.00 0.00 H new ATOM 415 N ARG A 35 4.845 1.178 6.743 1.00 0.00 N ATOM 416 CA ARG A 35 4.651 -0.268 6.702 1.00 0.00 C ATOM 417 C ARG A 35 3.171 -0.623 6.838 1.00 0.00 C ATOM 418 O ARG A 35 2.658 -1.475 6.112 1.00 0.00 O ATOM 419 CB ARG A 35 5.455 -0.942 7.816 1.00 0.00 C ATOM 420 CG ARG A 35 6.886 -1.272 7.420 1.00 0.00 C ATOM 421 CD ARG A 35 7.089 -2.768 7.231 1.00 0.00 C ATOM 422 NE ARG A 35 7.315 -3.117 5.831 1.00 0.00 N ATOM 423 CZ ARG A 35 7.196 -4.351 5.346 1.00 0.00 C ATOM 424 NH1 ARG A 35 6.853 -5.355 6.144 1.00 0.00 N ATOM 425 NH2 ARG A 35 7.421 -4.583 4.060 1.00 0.00 N ATOM 0 H ARG A 35 5.540 1.491 7.421 1.00 0.00 H new ATOM 0 HA ARG A 35 5.005 -0.631 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.470 -0.289 8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.948 -1.860 8.114 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.137 -0.752 6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.569 -0.906 8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.939 -3.097 7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.214 -3.302 7.601 1.00 0.00 H new ATOM 0 HE ARG A 35 7.580 -2.372 5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.679 -5.183 7.134 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.763 -6.298 5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.685 -3.816 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.330 -5.529 3.689 1.00 0.00 H new ATOM 439 N MET A 36 2.495 0.034 7.775 1.00 0.00 N ATOM 440 CA MET A 36 1.082 -0.208 8.013 1.00 0.00 C ATOM 441 C MET A 36 0.200 0.716 7.170 1.00 0.00 C ATOM 442 O MET A 36 -1.018 0.752 7.347 1.00 0.00 O ATOM 443 CB MET A 36 0.758 -0.022 9.495 1.00 0.00 C ATOM 444 CG MET A 36 0.944 -1.283 10.322 1.00 0.00 C ATOM 445 SD MET A 36 2.615 -1.950 10.205 1.00 0.00 S ATOM 446 CE MET A 36 2.308 -3.480 9.326 1.00 0.00 C ATOM 0 H MET A 36 2.908 0.741 8.383 1.00 0.00 H new ATOM 0 HA MET A 36 0.870 -1.236 7.719 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.393 0.765 9.901 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.273 0.318 9.593 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.716 -1.065 11.365 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.231 -2.038 9.991 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.234 -3.829 8.869 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.941 -4.233 10.024 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.562 -3.310 8.550 1.00 0.00 H new ATOM 456 N ARG A 37 0.818 1.460 6.258 1.00 0.00 N ATOM 457 CA ARG A 37 0.085 2.378 5.394 1.00 0.00 C ATOM 458 C ARG A 37 0.807 2.542 4.060 1.00 0.00 C ATOM 459 O ARG A 37 1.148 3.653 3.651 1.00 0.00 O ATOM 460 CB ARG A 37 -0.082 3.736 6.084 1.00 0.00 C ATOM 461 CG ARG A 37 -1.531 4.096 6.373 1.00 0.00 C ATOM 462 CD ARG A 37 -1.927 3.713 7.788 1.00 0.00 C ATOM 463 NE ARG A 37 -3.353 3.412 7.896 1.00 0.00 N ATOM 464 CZ ARG A 37 -4.303 4.341 7.969 1.00 0.00 C ATOM 465 NH1 ARG A 37 -3.985 5.629 7.945 1.00 0.00 N ATOM 466 NH2 ARG A 37 -5.575 3.980 8.064 1.00 0.00 N ATOM 0 H ARG A 37 1.825 1.445 6.098 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.904 1.962 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.476 3.730 7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.358 4.510 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.677 5.167 6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.182 3.588 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.349 2.845 8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.676 4.527 8.468 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.637 2.432 7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.008 5.912 7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.718 6.336 8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.825 2.991 8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.304 4.691 8.120 1.00 0.00 H new ATOM 480 N LEU A 38 1.046 1.421 3.393 1.00 0.00 N ATOM 481 CA LEU A 38 1.737 1.419 2.114 1.00 0.00 C ATOM 482 C LEU A 38 0.804 1.831 0.984 1.00 0.00 C ATOM 483 O LEU A 38 1.229 2.404 -0.018 1.00 0.00 O ATOM 484 CB LEU A 38 2.296 0.020 1.842 1.00 0.00 C ATOM 485 CG LEU A 38 3.816 -0.145 1.970 1.00 0.00 C ATOM 486 CD1 LEU A 38 4.547 1.084 1.461 1.00 0.00 C ATOM 487 CD2 LEU A 38 4.198 -0.436 3.415 1.00 0.00 C ATOM 0 H LEU A 38 0.769 0.496 3.721 1.00 0.00 H new ATOM 0 HA LEU A 38 2.552 2.142 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.818 -0.678 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.004 -0.274 0.834 1.00 0.00 H new ATOM 0 HG LEU A 38 4.117 -0.991 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.622 0.937 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.302 1.244 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.242 1.955 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.279 -0.550 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.876 0.389 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.712 -1.356 3.742 1.00 0.00 H new ATOM 499 N GLU A 39 -0.466 1.528 1.162 1.00 0.00 N ATOM 500 CA GLU A 39 -1.486 1.852 0.167 1.00 0.00 C ATOM 501 C GLU A 39 -1.486 3.345 -0.147 1.00 0.00 C ATOM 502 O GLU A 39 -1.881 3.760 -1.237 1.00 0.00 O ATOM 503 CB GLU A 39 -2.869 1.428 0.663 1.00 0.00 C ATOM 504 CG GLU A 39 -3.319 2.163 1.913 1.00 0.00 C ATOM 505 CD GLU A 39 -3.867 3.546 1.614 1.00 0.00 C ATOM 506 OE1 GLU A 39 -4.245 3.795 0.450 1.00 0.00 O ATOM 507 OE2 GLU A 39 -3.918 4.377 2.543 1.00 0.00 O ATOM 0 H GLU A 39 -0.825 1.054 1.991 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.250 1.305 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.598 1.597 -0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.861 0.357 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.084 1.575 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.478 2.251 2.601 1.00 0.00 H new ATOM 514 N ARG A 40 -1.043 4.148 0.816 1.00 0.00 N ATOM 515 CA ARG A 40 -0.992 5.581 0.653 1.00 0.00 C ATOM 516 C ARG A 40 0.151 5.981 -0.282 1.00 0.00 C ATOM 517 O ARG A 40 0.182 7.095 -0.804 1.00 0.00 O ATOM 518 CB ARG A 40 -0.859 6.229 2.035 1.00 0.00 C ATOM 519 CG ARG A 40 -0.297 7.633 2.024 1.00 0.00 C ATOM 520 CD ARG A 40 -1.380 8.669 1.771 1.00 0.00 C ATOM 521 NE ARG A 40 -1.514 8.992 0.353 1.00 0.00 N ATOM 522 CZ ARG A 40 -2.121 10.085 -0.103 1.00 0.00 C ATOM 523 NH1 ARG A 40 -2.648 10.962 0.744 1.00 0.00 N ATOM 524 NH2 ARG A 40 -2.202 10.303 -1.408 1.00 0.00 N ATOM 0 H ARG A 40 -0.713 3.818 1.723 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.912 5.936 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.841 6.249 2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.219 5.601 2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.188 7.839 2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.470 7.712 1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.332 8.296 2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.149 9.577 2.328 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.120 8.342 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.589 10.799 1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.112 11.798 0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.799 9.633 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.667 11.141 -1.757 1.00 0.00 H new ATOM 538 N HIS A 41 1.071 5.053 -0.502 1.00 0.00 N ATOM 539 CA HIS A 41 2.206 5.288 -1.388 1.00 0.00 C ATOM 540 C HIS A 41 1.819 4.979 -2.825 1.00 0.00 C ATOM 541 O HIS A 41 2.295 5.614 -3.762 1.00 0.00 O ATOM 542 CB HIS A 41 3.395 4.413 -0.985 1.00 0.00 C ATOM 543 CG HIS A 41 4.159 4.931 0.188 1.00 0.00 C ATOM 544 ND1 HIS A 41 5.135 5.896 0.086 1.00 0.00 N ATOM 545 CD2 HIS A 41 4.085 4.611 1.499 1.00 0.00 C ATOM 546 CE1 HIS A 41 5.628 6.144 1.286 1.00 0.00 C ATOM 547 NE2 HIS A 41 5.003 5.382 2.163 1.00 0.00 N ATOM 0 H HIS A 41 1.055 4.126 -0.078 1.00 0.00 H new ATOM 0 HA HIS A 41 2.492 6.336 -1.304 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.034 3.410 -0.757 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.071 4.323 -1.835 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.431 6.348 -0.779 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.424 3.881 1.942 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.412 6.852 1.512 1.00 0.00 H new ATOM 556 N LEU A 42 0.949 3.993 -2.987 1.00 0.00 N ATOM 557 CA LEU A 42 0.488 3.583 -4.289 1.00 0.00 C ATOM 558 C LEU A 42 -0.119 4.738 -5.056 1.00 0.00 C ATOM 559 O LEU A 42 -0.889 5.526 -4.509 1.00 0.00 O ATOM 560 CB LEU A 42 -0.566 2.505 -4.115 1.00 0.00 C ATOM 561 CG LEU A 42 -0.096 1.070 -4.291 1.00 0.00 C ATOM 562 CD1 LEU A 42 -1.302 0.186 -4.494 1.00 0.00 C ATOM 563 CD2 LEU A 42 0.863 0.940 -5.466 1.00 0.00 C ATOM 0 H LEU A 42 0.548 3.460 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 42 1.343 3.211 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.996 2.605 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.368 2.692 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 42 0.445 0.761 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.979 -0.847 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.956 0.257 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.844 0.509 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.180 -0.098 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.362 1.254 -6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.735 1.571 -5.295 1.00 0.00 H new ATOM 575 N SER A 43 0.191 4.801 -6.338 1.00 0.00 N ATOM 576 CA SER A 43 -0.372 5.822 -7.181 1.00 0.00 C ATOM 577 C SER A 43 -1.805 5.458 -7.476 1.00 0.00 C ATOM 578 O SER A 43 -2.186 4.289 -7.411 1.00 0.00 O ATOM 579 CB SER A 43 0.406 5.961 -8.476 1.00 0.00 C ATOM 580 OG SER A 43 1.039 7.225 -8.570 1.00 0.00 O ATOM 0 H SER A 43 0.827 4.158 -6.810 1.00 0.00 H new ATOM 0 HA SER A 43 -0.320 6.780 -6.664 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.156 5.172 -8.537 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.268 5.827 -9.322 1.00 0.00 H new ATOM 0 HG SER A 43 1.533 7.282 -9.415 1.00 0.00 H new ATOM 586 N ALA A 44 -2.596 6.449 -7.800 1.00 0.00 N ATOM 587 CA ALA A 44 -3.996 6.211 -8.103 1.00 0.00 C ATOM 588 C ALA A 44 -4.129 5.207 -9.235 1.00 0.00 C ATOM 589 O ALA A 44 -5.065 4.405 -9.269 1.00 0.00 O ATOM 590 CB ALA A 44 -4.690 7.512 -8.464 1.00 0.00 C ATOM 0 H ALA A 44 -2.303 7.424 -7.862 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.477 5.799 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.738 7.315 -8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.622 8.205 -7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.208 7.951 -9.338 1.00 0.00 H new ATOM 596 N GLU A 45 -3.170 5.245 -10.145 1.00 0.00 N ATOM 597 CA GLU A 45 -3.146 4.342 -11.263 1.00 0.00 C ATOM 598 C GLU A 45 -2.805 2.942 -10.784 1.00 0.00 C ATOM 599 O GLU A 45 -3.079 1.957 -11.469 1.00 0.00 O ATOM 600 CB GLU A 45 -2.127 4.805 -12.303 1.00 0.00 C ATOM 601 CG GLU A 45 -2.326 6.244 -12.750 1.00 0.00 C ATOM 602 CD GLU A 45 -3.452 6.393 -13.755 1.00 0.00 C ATOM 603 OE1 GLU A 45 -4.591 5.991 -13.433 1.00 0.00 O ATOM 604 OE2 GLU A 45 -3.197 6.910 -14.862 1.00 0.00 O ATOM 0 H GLU A 45 -2.392 5.904 -10.122 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.132 4.332 -11.728 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.124 4.697 -11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.186 4.151 -13.173 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.537 6.865 -11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.400 6.615 -13.190 1.00 0.00 H new ATOM 611 N ASP A 46 -2.200 2.857 -9.598 1.00 0.00 N ATOM 612 CA ASP A 46 -1.830 1.582 -9.048 1.00 0.00 C ATOM 613 C ASP A 46 -2.920 1.024 -8.160 1.00 0.00 C ATOM 614 O ASP A 46 -3.351 -0.101 -8.364 1.00 0.00 O ATOM 615 CB ASP A 46 -0.524 1.655 -8.257 1.00 0.00 C ATOM 616 CG ASP A 46 0.682 1.903 -9.143 1.00 0.00 C ATOM 617 OD1 ASP A 46 0.503 2.027 -10.373 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.808 1.972 -8.606 1.00 0.00 O ATOM 0 H ASP A 46 -1.963 3.659 -9.014 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.684 0.915 -9.898 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.596 2.452 -7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.383 0.723 -7.710 1.00 0.00 H new ATOM 623 N PHE A 47 -3.372 1.795 -7.168 1.00 0.00 N ATOM 624 CA PHE A 47 -4.411 1.298 -6.279 1.00 0.00 C ATOM 625 C PHE A 47 -5.572 0.759 -7.087 1.00 0.00 C ATOM 626 O PHE A 47 -6.107 -0.317 -6.816 1.00 0.00 O ATOM 627 CB PHE A 47 -4.906 2.378 -5.324 1.00 0.00 C ATOM 628 CG PHE A 47 -5.960 1.857 -4.398 1.00 0.00 C ATOM 629 CD1 PHE A 47 -7.285 1.812 -4.794 1.00 0.00 C ATOM 630 CD2 PHE A 47 -5.619 1.380 -3.147 1.00 0.00 C ATOM 631 CE1 PHE A 47 -8.254 1.304 -3.957 1.00 0.00 C ATOM 632 CE2 PHE A 47 -6.583 0.871 -2.302 1.00 0.00 C ATOM 633 CZ PHE A 47 -7.905 0.831 -2.710 1.00 0.00 C ATOM 0 H PHE A 47 -3.043 2.739 -6.967 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.975 0.497 -5.681 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.068 2.762 -4.742 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.306 3.215 -5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.563 2.179 -5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.588 1.406 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.285 1.276 -4.277 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.307 0.505 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.662 0.430 -2.052 1.00 0.00 H new ATOM 643 N SER A 48 -5.936 1.527 -8.083 1.00 0.00 N ATOM 644 CA SER A 48 -7.029 1.172 -8.979 1.00 0.00 C ATOM 645 C SER A 48 -6.824 -0.212 -9.574 1.00 0.00 C ATOM 646 O SER A 48 -7.771 -0.979 -9.740 1.00 0.00 O ATOM 647 CB SER A 48 -7.164 2.209 -10.096 1.00 0.00 C ATOM 648 OG SER A 48 -5.995 2.251 -10.898 1.00 0.00 O ATOM 0 H SER A 48 -5.489 2.417 -8.303 1.00 0.00 H new ATOM 0 HA SER A 48 -7.949 1.159 -8.394 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.027 1.968 -10.717 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.347 3.192 -9.663 1.00 0.00 H new ATOM 0 HG SER A 48 -5.445 3.019 -10.635 1.00 0.00 H new ATOM 654 N ARG A 49 -5.582 -0.513 -9.895 1.00 0.00 N ATOM 655 CA ARG A 49 -5.227 -1.791 -10.478 1.00 0.00 C ATOM 656 C ARG A 49 -4.774 -2.795 -9.424 1.00 0.00 C ATOM 657 O ARG A 49 -4.742 -4.002 -9.667 1.00 0.00 O ATOM 658 CB ARG A 49 -4.131 -1.607 -11.526 1.00 0.00 C ATOM 659 CG ARG A 49 -4.658 -1.220 -12.899 1.00 0.00 C ATOM 660 CD ARG A 49 -3.686 -0.312 -13.633 1.00 0.00 C ATOM 661 NE ARG A 49 -2.767 -1.068 -14.483 1.00 0.00 N ATOM 662 CZ ARG A 49 -3.124 -1.652 -15.624 1.00 0.00 C ATOM 663 NH1 ARG A 49 -4.377 -1.573 -16.055 1.00 0.00 N ATOM 664 NH2 ARG A 49 -2.226 -2.318 -16.337 1.00 0.00 N ATOM 0 H ARG A 49 -4.793 0.119 -9.760 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.123 -2.191 -10.953 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.438 -0.839 -11.183 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.563 -2.534 -11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.834 -2.119 -13.489 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.619 -0.716 -12.792 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.244 0.398 -14.244 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.115 0.269 -12.909 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.796 -1.153 -14.184 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.072 -1.062 -15.511 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.644 -2.023 -16.931 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.262 -2.383 -16.011 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.500 -2.766 -17.212 1.00 0.00 H new ATOM 678 N VAL A 50 -4.398 -2.280 -8.269 1.00 0.00 N ATOM 679 CA VAL A 50 -3.912 -3.097 -7.173 1.00 0.00 C ATOM 680 C VAL A 50 -5.045 -3.776 -6.419 1.00 0.00 C ATOM 681 O VAL A 50 -4.972 -4.966 -6.110 1.00 0.00 O ATOM 682 CB VAL A 50 -3.101 -2.247 -6.167 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.719 -3.065 -4.953 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.859 -1.677 -6.821 1.00 0.00 C ATOM 0 H VAL A 50 -4.421 -1.281 -8.064 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.276 -3.860 -7.621 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.735 -1.421 -5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.150 -2.445 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.621 -3.426 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.111 -3.915 -5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.305 -1.083 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.230 -2.492 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.147 -1.045 -7.661 1.00 0.00 H new ATOM 694 N PHE A 51 -6.074 -3.010 -6.094 1.00 0.00 N ATOM 695 CA PHE A 51 -7.196 -3.538 -5.344 1.00 0.00 C ATOM 696 C PHE A 51 -8.504 -3.419 -6.122 1.00 0.00 C ATOM 697 O PHE A 51 -9.581 -3.652 -5.574 1.00 0.00 O ATOM 698 CB PHE A 51 -7.294 -2.807 -4.008 1.00 0.00 C ATOM 699 CG PHE A 51 -5.969 -2.705 -3.304 1.00 0.00 C ATOM 700 CD1 PHE A 51 -5.535 -3.728 -2.479 1.00 0.00 C ATOM 701 CD2 PHE A 51 -5.153 -1.595 -3.475 1.00 0.00 C ATOM 702 CE1 PHE A 51 -4.317 -3.648 -1.835 1.00 0.00 C ATOM 703 CE2 PHE A 51 -3.932 -1.508 -2.829 1.00 0.00 C ATOM 704 CZ PHE A 51 -3.514 -2.536 -2.006 1.00 0.00 C ATOM 0 H PHE A 51 -6.153 -2.023 -6.338 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.027 -4.600 -5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.690 -1.805 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.003 -3.328 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.157 -4.599 -2.337 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.475 -0.790 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.991 -4.456 -1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.307 -0.638 -2.968 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.563 -2.471 -1.498 1.00 0.00 H new ATOM 714 N ALA A 52 -8.407 -3.067 -7.401 1.00 0.00 N ATOM 715 CA ALA A 52 -9.581 -2.932 -8.243 1.00 0.00 C ATOM 716 C ALA A 52 -10.614 -2.013 -7.604 1.00 0.00 C ATOM 717 O ALA A 52 -11.819 -2.245 -7.699 1.00 0.00 O ATOM 718 CB ALA A 52 -10.155 -4.305 -8.503 1.00 0.00 C ATOM 0 H ALA A 52 -7.524 -2.871 -7.873 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.296 -2.476 -9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.038 -4.216 -9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.410 -4.922 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.432 -4.769 -7.556 1.00 0.00 H new ATOM 724 N MET A 53 -10.122 -0.963 -6.957 1.00 0.00 N ATOM 725 CA MET A 53 -10.977 0.008 -6.302 1.00 0.00 C ATOM 726 C MET A 53 -10.411 1.407 -6.484 1.00 0.00 C ATOM 727 O MET A 53 -9.277 1.568 -6.926 1.00 0.00 O ATOM 728 CB MET A 53 -11.102 -0.306 -4.809 1.00 0.00 C ATOM 729 CG MET A 53 -12.347 -1.095 -4.445 1.00 0.00 C ATOM 730 SD MET A 53 -12.006 -2.846 -4.178 1.00 0.00 S ATOM 731 CE MET A 53 -10.765 -2.760 -2.888 1.00 0.00 C ATOM 0 H MET A 53 -9.125 -0.765 -6.874 1.00 0.00 H new ATOM 0 HA MET A 53 -11.967 -0.043 -6.756 1.00 0.00 H new ATOM 0 HB2 MET A 53 -10.223 -0.867 -4.492 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.101 0.630 -4.250 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.789 -0.673 -3.542 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.085 -0.990 -5.240 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.415 -3.765 -2.652 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.926 -2.154 -3.230 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.198 -2.308 -1.996 1.00 0.00 H new ATOM 741 N SER A 54 -11.187 2.417 -6.125 1.00 0.00 N ATOM 742 CA SER A 54 -10.729 3.784 -6.238 1.00 0.00 C ATOM 743 C SER A 54 -9.839 4.118 -5.055 1.00 0.00 C ATOM 744 O SER A 54 -10.203 3.864 -3.912 1.00 0.00 O ATOM 745 CB SER A 54 -11.918 4.746 -6.296 1.00 0.00 C ATOM 746 OG SER A 54 -12.823 4.505 -5.234 1.00 0.00 O ATOM 0 H SER A 54 -12.132 2.313 -5.755 1.00 0.00 H new ATOM 0 HA SER A 54 -10.158 3.893 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.560 5.774 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.434 4.634 -7.250 1.00 0.00 H new ATOM 0 HG SER A 54 -13.564 5.144 -5.284 1.00 0.00 H new ATOM 752 N PRO A 55 -8.655 4.694 -5.301 1.00 0.00 N ATOM 753 CA PRO A 55 -7.728 5.066 -4.238 1.00 0.00 C ATOM 754 C PRO A 55 -8.478 5.633 -3.037 1.00 0.00 C ATOM 755 O PRO A 55 -8.126 5.406 -1.875 1.00 0.00 O ATOM 756 CB PRO A 55 -6.844 6.140 -4.899 1.00 0.00 C ATOM 757 CG PRO A 55 -7.363 6.294 -6.301 1.00 0.00 C ATOM 758 CD PRO A 55 -8.120 5.045 -6.612 1.00 0.00 C ATOM 0 HA PRO A 55 -7.155 4.222 -3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.902 7.083 -4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.797 5.837 -4.901 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.008 7.169 -6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.543 6.436 -7.005 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.909 5.215 -7.345 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.475 4.264 -7.014 1.00 0.00 H new ATOM 766 N GLU A 56 -9.533 6.357 -3.356 1.00 0.00 N ATOM 767 CA GLU A 56 -10.394 6.970 -2.382 1.00 0.00 C ATOM 768 C GLU A 56 -11.209 5.930 -1.636 1.00 0.00 C ATOM 769 O GLU A 56 -11.361 6.006 -0.418 1.00 0.00 O ATOM 770 CB GLU A 56 -11.334 7.941 -3.080 1.00 0.00 C ATOM 771 CG GLU A 56 -11.926 7.419 -4.381 1.00 0.00 C ATOM 772 CD GLU A 56 -13.035 8.305 -4.912 1.00 0.00 C ATOM 773 OE1 GLU A 56 -13.714 8.961 -4.094 1.00 0.00 O ATOM 774 OE2 GLU A 56 -13.224 8.346 -6.146 1.00 0.00 O ATOM 0 H GLU A 56 -9.815 6.535 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.772 7.500 -1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.148 8.192 -2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.794 8.865 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.138 7.342 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.314 6.413 -4.222 1.00 0.00 H new ATOM 781 N GLU A 57 -11.729 4.952 -2.375 1.00 0.00 N ATOM 782 CA GLU A 57 -12.517 3.890 -1.788 1.00 0.00 C ATOM 783 C GLU A 57 -11.826 3.398 -0.537 1.00 0.00 C ATOM 784 O GLU A 57 -12.443 3.179 0.504 1.00 0.00 O ATOM 785 CB GLU A 57 -12.701 2.757 -2.794 1.00 0.00 C ATOM 786 CG GLU A 57 -14.047 2.778 -3.497 1.00 0.00 C ATOM 787 CD GLU A 57 -15.119 2.032 -2.727 1.00 0.00 C ATOM 788 OE1 GLU A 57 -14.822 0.935 -2.209 1.00 0.00 O ATOM 789 OE2 GLU A 57 -16.254 2.545 -2.641 1.00 0.00 O ATOM 0 H GLU A 57 -11.613 4.880 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.505 4.264 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.910 2.814 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.585 1.803 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.361 3.812 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.942 2.336 -4.488 1.00 0.00 H new ATOM 796 N PHE A 58 -10.527 3.278 -0.661 1.00 0.00 N ATOM 797 CA PHE A 58 -9.678 2.862 0.437 1.00 0.00 C ATOM 798 C PHE A 58 -9.683 3.923 1.524 1.00 0.00 C ATOM 799 O PHE A 58 -9.824 3.618 2.708 1.00 0.00 O ATOM 800 CB PHE A 58 -8.248 2.617 -0.041 1.00 0.00 C ATOM 801 CG PHE A 58 -7.689 1.306 0.425 1.00 0.00 C ATOM 802 CD1 PHE A 58 -8.412 0.141 0.257 1.00 0.00 C ATOM 803 CD2 PHE A 58 -6.447 1.236 1.031 1.00 0.00 C ATOM 804 CE1 PHE A 58 -7.910 -1.068 0.684 1.00 0.00 C ATOM 805 CE2 PHE A 58 -5.940 0.029 1.459 1.00 0.00 C ATOM 806 CZ PHE A 58 -6.673 -1.123 1.284 1.00 0.00 C ATOM 0 H PHE A 58 -10.023 3.466 -1.528 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.071 1.928 0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.225 2.649 -1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.609 3.425 0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.383 0.179 -0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.869 2.138 1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.486 -1.971 0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.969 -0.014 1.931 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.277 -2.071 1.618 1.00 0.00 H new ATOM 816 N GLY A 59 -9.537 5.182 1.111 1.00 0.00 N ATOM 817 CA GLY A 59 -9.540 6.269 2.068 1.00 0.00 C ATOM 818 C GLY A 59 -10.827 6.327 2.872 1.00 0.00 C ATOM 819 O GLY A 59 -10.880 6.966 3.922 1.00 0.00 O ATOM 0 H GLY A 59 -9.418 5.463 0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.695 6.154 2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.400 7.213 1.542 1.00 0.00 H new ATOM 823 N LYS A 60 -11.873 5.667 2.372 1.00 0.00 N ATOM 824 CA LYS A 60 -13.157 5.656 3.040 1.00 0.00 C ATOM 825 C LYS A 60 -13.426 4.332 3.747 1.00 0.00 C ATOM 826 O LYS A 60 -14.156 4.281 4.736 1.00 0.00 O ATOM 827 CB LYS A 60 -14.279 5.962 2.045 1.00 0.00 C ATOM 828 CG LYS A 60 -15.032 7.247 2.356 1.00 0.00 C ATOM 829 CD LYS A 60 -15.166 8.130 1.125 1.00 0.00 C ATOM 830 CE LYS A 60 -13.828 8.725 0.718 1.00 0.00 C ATOM 831 NZ LYS A 60 -13.994 9.943 -0.124 1.00 0.00 N ATOM 0 H LYS A 60 -11.846 5.134 1.503 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.131 6.434 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.856 6.031 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.983 5.130 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.023 7.005 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.511 7.794 3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.572 7.546 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.876 8.932 1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.256 8.976 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.251 7.980 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.058 10.318 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.518 9.699 -0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.522 10.664 0.408 1.00 0.00 H new ATOM 845 N LEU A 61 -12.837 3.266 3.231 1.00 0.00 N ATOM 846 CA LEU A 61 -13.009 1.937 3.803 1.00 0.00 C ATOM 847 C LEU A 61 -12.641 1.917 5.283 1.00 0.00 C ATOM 848 O LEU A 61 -12.403 2.960 5.891 1.00 0.00 O ATOM 849 CB LEU A 61 -12.154 0.926 3.044 1.00 0.00 C ATOM 850 CG LEU A 61 -12.740 0.450 1.715 1.00 0.00 C ATOM 851 CD1 LEU A 61 -11.667 -0.227 0.882 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.911 -0.492 1.953 1.00 0.00 C ATOM 0 H LEU A 61 -12.231 3.294 2.411 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.061 1.666 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.177 1.370 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.991 0.058 3.683 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.109 1.317 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.097 -0.562 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.861 0.479 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.272 -1.085 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.315 -0.820 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.571 -1.359 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.687 0.027 2.515 1.00 0.00 H new ATOM 864 N ALA A 62 -12.587 0.717 5.852 1.00 0.00 N ATOM 865 CA ALA A 62 -12.239 0.547 7.254 1.00 0.00 C ATOM 866 C ALA A 62 -10.776 0.158 7.387 1.00 0.00 C ATOM 867 O ALA A 62 -10.031 0.192 6.412 1.00 0.00 O ATOM 868 CB ALA A 62 -13.129 -0.512 7.891 1.00 0.00 C ATOM 0 H ALA A 62 -12.781 -0.155 5.359 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.397 1.492 7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.859 -0.631 8.940 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.172 -0.203 7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.994 -1.461 7.372 1.00 0.00 H new ATOM 874 N LEU A 63 -10.373 -0.225 8.589 1.00 0.00 N ATOM 875 CA LEU A 63 -8.997 -0.637 8.827 1.00 0.00 C ATOM 876 C LEU A 63 -8.850 -2.134 8.601 1.00 0.00 C ATOM 877 O LEU A 63 -7.761 -2.636 8.313 1.00 0.00 O ATOM 878 CB LEU A 63 -8.558 -0.267 10.246 1.00 0.00 C ATOM 879 CG LEU A 63 -7.417 0.749 10.323 1.00 0.00 C ATOM 880 CD1 LEU A 63 -6.193 0.230 9.587 1.00 0.00 C ATOM 881 CD2 LEU A 63 -7.857 2.089 9.754 1.00 0.00 C ATOM 0 H LEU A 63 -10.975 -0.259 9.411 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.353 -0.110 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.418 0.133 10.784 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.252 -1.176 10.764 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.152 0.893 11.371 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.391 0.965 9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.865 -0.706 10.040 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.444 0.058 8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.033 2.799 9.817 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.149 1.963 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.705 2.466 10.325 1.00 0.00 H new ATOM 893 N TRP A 64 -9.961 -2.834 8.731 1.00 0.00 N ATOM 894 CA TRP A 64 -9.999 -4.262 8.550 1.00 0.00 C ATOM 895 C TRP A 64 -10.103 -4.622 7.075 1.00 0.00 C ATOM 896 O TRP A 64 -9.263 -5.353 6.549 1.00 0.00 O ATOM 897 CB TRP A 64 -11.168 -4.861 9.335 1.00 0.00 C ATOM 898 CG TRP A 64 -12.480 -4.179 9.076 1.00 0.00 C ATOM 899 CD1 TRP A 64 -12.946 -3.032 9.652 1.00 0.00 C ATOM 900 CD2 TRP A 64 -13.496 -4.608 8.170 1.00 0.00 C ATOM 901 NE1 TRP A 64 -14.193 -2.730 9.152 1.00 0.00 N ATOM 902 CE2 TRP A 64 -14.550 -3.684 8.249 1.00 0.00 C ATOM 903 CE3 TRP A 64 -13.613 -5.686 7.301 1.00 0.00 C ATOM 904 CZ2 TRP A 64 -15.708 -3.808 7.493 1.00 0.00 C ATOM 905 CZ3 TRP A 64 -14.764 -5.812 6.546 1.00 0.00 C ATOM 906 CH2 TRP A 64 -15.799 -4.875 6.651 1.00 0.00 C ATOM 0 H TRP A 64 -10.863 -2.421 8.966 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.068 -4.682 8.932 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.261 -5.917 9.082 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.944 -4.807 10.400 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.416 -2.449 10.390 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -14.758 -1.922 9.416 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -12.819 -6.413 7.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -16.507 -3.085 7.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -14.866 -6.645 5.866 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -16.689 -5.001 6.052 1.00 0.00 H new ATOM 917 N LYS A 65 -11.124 -4.098 6.402 1.00 0.00 N ATOM 918 CA LYS A 65 -11.300 -4.369 4.987 1.00 0.00 C ATOM 919 C LYS A 65 -10.064 -3.915 4.229 1.00 0.00 C ATOM 920 O LYS A 65 -9.618 -4.571 3.289 1.00 0.00 O ATOM 921 CB LYS A 65 -12.562 -3.687 4.441 1.00 0.00 C ATOM 922 CG LYS A 65 -12.757 -2.254 4.896 1.00 0.00 C ATOM 923 CD LYS A 65 -14.224 -1.949 5.191 1.00 0.00 C ATOM 924 CE LYS A 65 -15.159 -2.561 4.155 1.00 0.00 C ATOM 925 NZ LYS A 65 -16.214 -1.602 3.726 1.00 0.00 N ATOM 0 H LYS A 65 -11.833 -3.490 6.812 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.430 -5.442 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.526 -3.706 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.432 -4.271 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.161 -2.072 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.392 -1.575 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.481 -2.330 6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.371 -0.869 5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.581 -2.878 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.627 -3.454 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.133 -1.903 4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.985 -0.652 4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.261 -1.580 2.687 1.00 0.00 H new ATOM 939 N ARG A 66 -9.492 -2.802 4.676 1.00 0.00 N ATOM 940 CA ARG A 66 -8.287 -2.273 4.083 1.00 0.00 C ATOM 941 C ARG A 66 -7.147 -3.262 4.281 1.00 0.00 C ATOM 942 O ARG A 66 -6.358 -3.510 3.371 1.00 0.00 O ATOM 943 CB ARG A 66 -7.937 -0.944 4.741 1.00 0.00 C ATOM 944 CG ARG A 66 -8.372 0.270 3.935 1.00 0.00 C ATOM 945 CD ARG A 66 -7.438 1.450 4.150 1.00 0.00 C ATOM 946 NE ARG A 66 -6.042 1.032 4.213 1.00 0.00 N ATOM 947 CZ ARG A 66 -5.053 1.803 4.658 1.00 0.00 C ATOM 948 NH1 ARG A 66 -5.302 3.039 5.073 1.00 0.00 N ATOM 949 NH2 ARG A 66 -3.812 1.338 4.687 1.00 0.00 N ATOM 0 H ARG A 66 -9.854 -2.251 5.454 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.445 -2.115 3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.404 -0.902 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.859 -0.898 4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.397 0.014 2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.386 0.552 4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.566 2.167 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.706 1.962 5.074 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.810 0.091 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.255 3.402 5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.540 3.626 5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.615 0.389 4.368 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.054 1.929 5.028 1.00 0.00 H new ATOM 963 N ASN A 67 -7.075 -3.830 5.485 1.00 0.00 N ATOM 964 CA ASN A 67 -6.051 -4.791 5.812 1.00 0.00 C ATOM 965 C ASN A 67 -6.220 -6.061 4.986 1.00 0.00 C ATOM 966 O ASN A 67 -5.245 -6.617 4.479 1.00 0.00 O ATOM 967 CB ASN A 67 -6.119 -5.109 7.303 1.00 0.00 C ATOM 968 CG ASN A 67 -5.109 -4.320 8.113 1.00 0.00 C ATOM 969 OD1 ASN A 67 -4.038 -3.969 7.620 1.00 0.00 O ATOM 970 ND2 ASN A 67 -5.451 -4.029 9.364 1.00 0.00 N ATOM 0 H ASN A 67 -7.724 -3.632 6.247 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.074 -4.368 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.122 -4.894 7.671 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.946 -6.175 7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.815 -3.494 9.955 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.350 -4.340 9.733 1.00 0.00 H new ATOM 977 N GLU A 68 -7.464 -6.516 4.849 1.00 0.00 N ATOM 978 CA GLU A 68 -7.753 -7.713 4.081 1.00 0.00 C ATOM 979 C GLU A 68 -7.423 -7.511 2.610 1.00 0.00 C ATOM 980 O GLU A 68 -7.150 -8.464 1.882 1.00 0.00 O ATOM 981 CB GLU A 68 -9.221 -8.113 4.243 1.00 0.00 C ATOM 982 CG GLU A 68 -9.575 -8.576 5.646 1.00 0.00 C ATOM 983 CD GLU A 68 -9.291 -10.049 5.863 1.00 0.00 C ATOM 984 OE1 GLU A 68 -10.155 -10.878 5.509 1.00 0.00 O ATOM 985 OE2 GLU A 68 -8.205 -10.373 6.388 1.00 0.00 O ATOM 0 H GLU A 68 -8.283 -6.070 5.262 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.125 -8.517 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.851 -7.263 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.451 -8.911 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.010 -7.990 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.631 -8.382 5.833 1.00 0.00 H new ATOM 992 N LEU A 69 -7.455 -6.261 2.186 1.00 0.00 N ATOM 993 CA LEU A 69 -7.167 -5.902 0.803 1.00 0.00 C ATOM 994 C LEU A 69 -5.686 -5.621 0.601 1.00 0.00 C ATOM 995 O LEU A 69 -5.054 -6.160 -0.306 1.00 0.00 O ATOM 996 CB LEU A 69 -7.983 -4.673 0.406 1.00 0.00 C ATOM 997 CG LEU A 69 -9.480 -4.928 0.266 1.00 0.00 C ATOM 998 CD1 LEU A 69 -10.218 -3.638 -0.056 1.00 0.00 C ATOM 999 CD2 LEU A 69 -9.727 -5.978 -0.803 1.00 0.00 C ATOM 0 H LEU A 69 -7.680 -5.467 2.785 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.442 -6.746 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.828 -3.893 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.602 -4.290 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.864 -5.301 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.284 -3.843 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.057 -2.917 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.842 -3.228 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.798 -6.156 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.331 -5.627 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.229 -6.906 -0.523 1.00 0.00 H new ATOM 1011 N LYS A 70 -5.140 -4.770 1.454 1.00 0.00 N ATOM 1012 CA LYS A 70 -3.741 -4.402 1.384 1.00 0.00 C ATOM 1013 C LYS A 70 -2.852 -5.636 1.389 1.00 0.00 C ATOM 1014 O LYS A 70 -1.757 -5.626 0.826 1.00 0.00 O ATOM 1015 CB LYS A 70 -3.413 -3.455 2.543 1.00 0.00 C ATOM 1016 CG LYS A 70 -2.903 -4.136 3.806 1.00 0.00 C ATOM 1017 CD LYS A 70 -2.463 -3.117 4.849 1.00 0.00 C ATOM 1018 CE LYS A 70 -3.540 -2.075 5.119 1.00 0.00 C ATOM 1019 NZ LYS A 70 -3.090 -1.058 6.109 1.00 0.00 N ATOM 0 H LYS A 70 -5.654 -4.318 2.210 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.547 -3.882 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.663 -2.739 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.309 -2.886 2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.687 -4.769 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.066 -4.788 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.216 -3.632 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.555 -2.620 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.809 -1.580 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.439 -2.569 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.905 -0.491 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.668 -1.536 6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.382 -0.435 5.670 1.00 0.00 H new ATOM 1033 N LYS A 71 -3.338 -6.703 2.001 1.00 0.00 N ATOM 1034 CA LYS A 71 -2.596 -7.942 2.047 1.00 0.00 C ATOM 1035 C LYS A 71 -2.704 -8.661 0.709 1.00 0.00 C ATOM 1036 O LYS A 71 -1.811 -9.414 0.321 1.00 0.00 O ATOM 1037 CB LYS A 71 -3.092 -8.816 3.209 1.00 0.00 C ATOM 1038 CG LYS A 71 -2.703 -10.286 3.110 1.00 0.00 C ATOM 1039 CD LYS A 71 -3.928 -11.187 3.058 1.00 0.00 C ATOM 1040 CE LYS A 71 -4.908 -10.747 1.979 1.00 0.00 C ATOM 1041 NZ LYS A 71 -5.885 -11.821 1.647 1.00 0.00 N ATOM 0 H LYS A 71 -4.243 -6.732 2.471 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.542 -7.729 2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.700 -8.412 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.178 -8.744 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.097 -10.443 2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.086 -10.558 3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.616 -12.214 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.427 -11.179 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.444 -9.859 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.358 -10.466 1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.906 -11.965 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.601 -12.705 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.831 -11.544 1.977 1.00 0.00 H new ATOM 1055 N LYS A 72 -3.783 -8.390 -0.008 1.00 0.00 N ATOM 1056 CA LYS A 72 -3.984 -8.975 -1.314 1.00 0.00 C ATOM 1057 C LYS A 72 -2.921 -8.456 -2.261 1.00 0.00 C ATOM 1058 O LYS A 72 -2.444 -9.167 -3.146 1.00 0.00 O ATOM 1059 CB LYS A 72 -5.380 -8.650 -1.854 1.00 0.00 C ATOM 1060 CG LYS A 72 -6.326 -9.839 -1.856 1.00 0.00 C ATOM 1061 CD LYS A 72 -7.694 -9.461 -1.307 1.00 0.00 C ATOM 1062 CE LYS A 72 -8.009 -10.220 -0.031 1.00 0.00 C ATOM 1063 NZ LYS A 72 -8.420 -11.625 -0.307 1.00 0.00 N ATOM 0 H LYS A 72 -4.531 -7.767 0.297 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.904 -10.059 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.815 -7.851 -1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.287 -8.269 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.432 -10.219 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.902 -10.645 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.726 -8.389 -1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.458 -9.671 -2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.133 -10.219 0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.806 -9.708 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.626 -12.109 0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.271 -11.627 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.650 -12.122 -0.799 1.00 0.00 H new ATOM 1077 N ALA A 73 -2.555 -7.203 -2.050 1.00 0.00 N ATOM 1078 CA ALA A 73 -1.551 -6.549 -2.852 1.00 0.00 C ATOM 1079 C ALA A 73 -0.161 -6.695 -2.236 1.00 0.00 C ATOM 1080 O ALA A 73 0.837 -6.327 -2.857 1.00 0.00 O ATOM 1081 CB ALA A 73 -1.903 -5.084 -3.011 1.00 0.00 C ATOM 0 H ALA A 73 -2.950 -6.615 -1.316 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.530 -7.028 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.143 -4.591 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.873 -4.994 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.947 -4.612 -2.030 1.00 0.00 H new ATOM 1087 N SER A 74 -0.096 -7.215 -1.008 1.00 0.00 N ATOM 1088 CA SER A 74 1.178 -7.384 -0.317 1.00 0.00 C ATOM 1089 C SER A 74 1.674 -6.045 0.220 1.00 0.00 C ATOM 1090 O SER A 74 2.841 -5.902 0.583 1.00 0.00 O ATOM 1091 CB SER A 74 2.229 -8.000 -1.247 1.00 0.00 C ATOM 1092 OG SER A 74 1.650 -8.981 -2.091 1.00 0.00 O ATOM 0 H SER A 74 -0.909 -7.524 -0.476 1.00 0.00 H new ATOM 0 HA SER A 74 1.020 -8.064 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.686 -7.218 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.025 -8.450 -0.654 1.00 0.00 H new ATOM 0 HG SER A 74 2.340 -9.358 -2.676 1.00 0.00 H new ATOM 1098 N LEU A 75 0.770 -5.067 0.277 1.00 0.00 N ATOM 1099 CA LEU A 75 1.104 -3.741 0.778 1.00 0.00 C ATOM 1100 C LEU A 75 0.820 -3.648 2.276 1.00 0.00 C ATOM 1101 O LEU A 75 0.728 -2.556 2.836 1.00 0.00 O ATOM 1102 CB LEU A 75 0.309 -2.675 0.013 1.00 0.00 C ATOM 1103 CG LEU A 75 0.421 -2.759 -1.511 1.00 0.00 C ATOM 1104 CD1 LEU A 75 -0.117 -1.498 -2.169 1.00 0.00 C ATOM 1105 CD2 LEU A 75 1.862 -3.005 -1.916 1.00 0.00 C ATOM 0 H LEU A 75 -0.200 -5.172 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 75 2.168 -3.565 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.742 -2.757 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.648 -1.690 0.334 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.186 -3.597 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.025 -1.585 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.166 -1.368 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.454 -0.636 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.930 -3.063 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.486 -2.187 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.207 -3.943 -1.480 1.00 0.00 H new ATOM 1117 N PHE A 76 0.683 -4.808 2.916 1.00 0.00 N ATOM 1118 CA PHE A 76 0.413 -4.876 4.341 1.00 0.00 C ATOM 1119 C PHE A 76 1.695 -4.708 5.148 1.00 0.00 C ATOM 1120 O PHE A 76 1.747 -3.789 5.993 1.00 0.00 O ATOM 1121 CB PHE A 76 -0.258 -6.210 4.687 1.00 0.00 C ATOM 1122 CG PHE A 76 -0.976 -6.207 6.007 1.00 0.00 C ATOM 1123 CD1 PHE A 76 -0.286 -5.982 7.188 1.00 0.00 C ATOM 1124 CD2 PHE A 76 -2.342 -6.436 6.068 1.00 0.00 C ATOM 1125 CE1 PHE A 76 -0.945 -5.984 8.403 1.00 0.00 C ATOM 1126 CE2 PHE A 76 -3.005 -6.439 7.279 1.00 0.00 C ATOM 1127 CZ PHE A 76 -2.307 -6.213 8.448 1.00 0.00 C ATOM 1128 OXT PHE A 76 2.639 -5.496 4.929 1.00 0.00 O ATOM 0 H PHE A 76 0.756 -5.718 2.461 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.261 -4.060 4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.968 -6.463 3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.499 -6.994 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.779 -5.803 7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.894 -6.614 5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.396 -5.807 9.316 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.070 -6.618 7.312 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.824 -6.215 9.396 1.00 0.00 H new