USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 708 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 87 HIS : no HD1:sc= -6.1! C(o=-9.6!,f=-12!) USER MOD Set 1.2: A 89 MET CE :methyl -124:sc= -3.46! (180deg=-5.94!) USER MOD Set 2.1: A 64 ASN : amide:sc= -0.9! C(o=-1.9!,f=0.72!) USER MOD Set 2.2: A 83 SER OG : rot 27:sc= -1.02! USER MOD Set 3.1: A 18 LYS NZ :NH3+ -141:sc= 0.0499 (180deg=0.0323) USER MOD Set 3.2: A 84 SER OG : rot 180:sc= 0.0793 USER MOD Set 4.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 8 SER OG : rot 20:sc= 1 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 52:sc= 0.166 USER MOD Single : A 3 SER OG : rot 46:sc= 0.825 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 10:sc= 0.0627! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 44:sc= 0.461 USER MOD Single : A 34 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0355 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -77:sc= 1.03 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 39:sc= 0.0134 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -81:sc= 0.483 USER MOD Single : A 67 SER OG : rot 18:sc= 0.221 USER MOD Single : A 70 SER OG : rot 65:sc= 1.11 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.998 USER MOD Single : A 73 MET CE :methyl -178:sc= -2.09! (180deg=-2.11!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -45:sc= -0.2 USER MOD Single : A 82 SER OG : rot 180:sc= 0.303 USER MOD Single : A 88 MET CE :methyl 140:sc= -7.01! (180deg=-9.63!) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.392 -0.425 -24.651 1.00 0.00 N ATOM 2 CA GLY A 1 -12.190 -1.109 -24.205 1.00 0.00 C ATOM 3 C GLY A 1 -11.771 -2.189 -25.205 1.00 0.00 C ATOM 4 O GLY A 1 -12.148 -3.352 -25.063 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.656 0.302 -23.956 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.214 0.024 -25.572 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.168 -1.112 -24.745 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.381 -0.388 -24.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.365 -1.561 -23.229 1.00 0.00 H new ATOM 8 N SER A 2 -10.997 -1.767 -26.194 1.00 0.00 N ATOM 9 CA SER A 2 -10.523 -2.683 -27.217 1.00 0.00 C ATOM 10 C SER A 2 -9.513 -3.662 -26.615 1.00 0.00 C ATOM 11 O SER A 2 -8.306 -3.433 -26.681 1.00 0.00 O ATOM 12 CB SER A 2 -9.894 -1.924 -28.387 1.00 0.00 C ATOM 13 OG SER A 2 -8.960 -0.942 -27.946 1.00 0.00 O ATOM 0 H SER A 2 -10.686 -0.802 -26.308 1.00 0.00 H new ATOM 0 HA SER A 2 -11.378 -3.241 -27.599 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.392 -2.630 -29.049 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.679 -1.442 -28.970 1.00 0.00 H new ATOM 0 HG SER A 2 -8.316 -1.355 -27.333 1.00 0.00 H new ATOM 19 N SER A 3 -10.043 -4.732 -26.041 1.00 0.00 N ATOM 20 CA SER A 3 -9.203 -5.747 -25.428 1.00 0.00 C ATOM 21 C SER A 3 -10.042 -6.977 -25.075 1.00 0.00 C ATOM 22 O SER A 3 -11.266 -6.894 -24.986 1.00 0.00 O ATOM 23 CB SER A 3 -8.507 -5.203 -24.179 1.00 0.00 C ATOM 24 OG SER A 3 -7.207 -4.697 -24.470 1.00 0.00 O ATOM 0 H SER A 3 -11.044 -4.918 -25.987 1.00 0.00 H new ATOM 0 HA SER A 3 -8.433 -6.034 -26.145 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.115 -4.411 -23.741 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.430 -5.994 -23.433 1.00 0.00 H new ATOM 0 HG SER A 3 -7.246 -4.136 -25.273 1.00 0.00 H new ATOM 30 N GLY A 4 -9.349 -8.090 -24.884 1.00 0.00 N ATOM 31 CA GLY A 4 -10.015 -9.336 -24.543 1.00 0.00 C ATOM 32 C GLY A 4 -9.251 -10.084 -23.449 1.00 0.00 C ATOM 33 O GLY A 4 -9.731 -10.204 -22.323 1.00 0.00 O ATOM 0 H GLY A 4 -8.334 -8.155 -24.959 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.031 -9.129 -24.206 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.095 -9.964 -25.430 1.00 0.00 H new ATOM 37 N SER A 5 -8.074 -10.568 -23.818 1.00 0.00 N ATOM 38 CA SER A 5 -7.239 -11.301 -22.882 1.00 0.00 C ATOM 39 C SER A 5 -7.945 -12.586 -22.445 1.00 0.00 C ATOM 40 O SER A 5 -9.041 -12.537 -21.888 1.00 0.00 O ATOM 41 CB SER A 5 -6.895 -10.443 -21.662 1.00 0.00 C ATOM 42 OG SER A 5 -6.427 -11.231 -20.571 1.00 0.00 O ATOM 0 H SER A 5 -7.679 -10.467 -24.753 1.00 0.00 H new ATOM 0 HA SER A 5 -6.307 -11.560 -23.385 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.133 -9.713 -21.935 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.777 -9.882 -21.352 1.00 0.00 H new ATOM 0 HG SER A 5 -6.217 -10.647 -19.812 1.00 0.00 H new ATOM 48 N SER A 6 -7.290 -13.705 -22.715 1.00 0.00 N ATOM 49 CA SER A 6 -7.842 -15.000 -22.357 1.00 0.00 C ATOM 50 C SER A 6 -6.894 -15.727 -21.400 1.00 0.00 C ATOM 51 O SER A 6 -5.982 -16.427 -21.837 1.00 0.00 O ATOM 52 CB SER A 6 -8.096 -15.854 -23.601 1.00 0.00 C ATOM 53 OG SER A 6 -9.368 -16.495 -23.558 1.00 0.00 O ATOM 0 H SER A 6 -6.382 -13.742 -23.178 1.00 0.00 H new ATOM 0 HA SER A 6 -8.798 -14.838 -21.859 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.036 -15.226 -24.490 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.313 -16.607 -23.690 1.00 0.00 H new ATOM 0 HG SER A 6 -9.493 -17.029 -24.370 1.00 0.00 H new ATOM 59 N GLY A 7 -7.143 -15.535 -20.113 1.00 0.00 N ATOM 60 CA GLY A 7 -6.323 -16.163 -19.091 1.00 0.00 C ATOM 61 C GLY A 7 -5.101 -15.303 -18.763 1.00 0.00 C ATOM 62 O GLY A 7 -4.096 -15.351 -19.470 1.00 0.00 O ATOM 0 H GLY A 7 -7.901 -14.954 -19.755 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.915 -16.318 -18.189 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.999 -17.146 -19.433 1.00 0.00 H new ATOM 66 N SER A 8 -5.228 -14.536 -17.690 1.00 0.00 N ATOM 67 CA SER A 8 -4.146 -13.666 -17.260 1.00 0.00 C ATOM 68 C SER A 8 -4.354 -13.255 -15.801 1.00 0.00 C ATOM 69 O SER A 8 -5.489 -13.118 -15.347 1.00 0.00 O ATOM 70 CB SER A 8 -4.048 -12.427 -18.152 1.00 0.00 C ATOM 71 OG SER A 8 -3.446 -12.721 -19.410 1.00 0.00 O ATOM 0 H SER A 8 -6.063 -14.499 -17.106 1.00 0.00 H new ATOM 0 HA SER A 8 -3.209 -14.217 -17.346 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.045 -12.017 -18.314 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.467 -11.659 -17.643 1.00 0.00 H new ATOM 0 HG SER A 8 -3.506 -13.684 -19.584 1.00 0.00 H new ATOM 77 N ASP A 9 -3.241 -13.069 -15.107 1.00 0.00 N ATOM 78 CA ASP A 9 -3.287 -12.677 -13.709 1.00 0.00 C ATOM 79 C ASP A 9 -3.927 -11.292 -13.594 1.00 0.00 C ATOM 80 O ASP A 9 -3.227 -10.281 -13.569 1.00 0.00 O ATOM 81 CB ASP A 9 -1.880 -12.598 -13.113 1.00 0.00 C ATOM 82 CG ASP A 9 -1.104 -13.917 -13.111 1.00 0.00 C ATOM 83 OD1 ASP A 9 -0.723 -14.353 -14.218 1.00 0.00 O ATOM 84 OD2 ASP A 9 -0.910 -14.459 -12.001 1.00 0.00 O ATOM 0 H ASP A 9 -2.301 -13.183 -15.487 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.867 -13.424 -13.168 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.307 -11.857 -13.670 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.956 -12.237 -12.087 1.00 0.00 H new ATOM 89 N ILE A 10 -5.250 -11.291 -13.527 1.00 0.00 N ATOM 90 CA ILE A 10 -5.993 -10.047 -13.415 1.00 0.00 C ATOM 91 C ILE A 10 -5.344 -9.165 -12.346 1.00 0.00 C ATOM 92 O ILE A 10 -4.548 -9.645 -11.540 1.00 0.00 O ATOM 93 CB ILE A 10 -7.475 -10.329 -13.163 1.00 0.00 C ATOM 94 CG1 ILE A 10 -8.161 -10.835 -14.433 1.00 0.00 C ATOM 95 CG2 ILE A 10 -8.177 -9.098 -12.584 1.00 0.00 C ATOM 96 CD1 ILE A 10 -8.449 -12.335 -14.340 1.00 0.00 C ATOM 0 H ILE A 10 -5.827 -12.132 -13.548 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.953 -9.493 -14.353 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.550 -11.122 -12.419 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.093 -10.291 -14.589 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.527 -10.636 -15.297 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.229 -9.326 -12.414 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.708 -8.823 -11.639 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.094 -8.268 -13.286 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.937 -12.669 -15.256 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.513 -12.878 -14.209 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.103 -12.528 -13.489 1.00 0.00 H new ATOM 108 N ILE A 11 -5.708 -7.892 -12.373 1.00 0.00 N ATOM 109 CA ILE A 11 -5.172 -6.939 -11.416 1.00 0.00 C ATOM 110 C ILE A 11 -6.113 -6.845 -10.214 1.00 0.00 C ATOM 111 O ILE A 11 -7.332 -6.890 -10.370 1.00 0.00 O ATOM 112 CB ILE A 11 -4.904 -5.593 -12.093 1.00 0.00 C ATOM 113 CG1 ILE A 11 -3.602 -5.633 -12.896 1.00 0.00 C ATOM 114 CG2 ILE A 11 -4.912 -4.454 -11.072 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.397 -5.330 -12.003 1.00 0.00 C ATOM 0 H ILE A 11 -6.368 -7.498 -13.043 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.207 -7.279 -11.040 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.712 -5.399 -12.798 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.483 -6.615 -13.353 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.649 -4.907 -13.708 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.719 -3.509 -11.580 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.885 -4.411 -10.583 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.138 -4.629 -10.325 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.485 -5.365 -12.599 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.508 -4.337 -11.567 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.339 -6.072 -11.206 1.00 0.00 H new ATOM 127 N HIS A 12 -5.511 -6.717 -9.040 1.00 0.00 N ATOM 128 CA HIS A 12 -6.280 -6.617 -7.812 1.00 0.00 C ATOM 129 C HIS A 12 -6.362 -5.153 -7.376 1.00 0.00 C ATOM 130 O HIS A 12 -5.460 -4.366 -7.656 1.00 0.00 O ATOM 131 CB HIS A 12 -5.695 -7.526 -6.729 1.00 0.00 C ATOM 132 CG HIS A 12 -6.198 -8.949 -6.783 1.00 0.00 C ATOM 133 ND1 HIS A 12 -6.779 -9.580 -5.698 1.00 0.00 N ATOM 134 CD2 HIS A 12 -6.201 -9.855 -7.803 1.00 0.00 C ATOM 135 CE1 HIS A 12 -7.113 -10.811 -6.059 1.00 0.00 C ATOM 136 NE2 HIS A 12 -6.753 -10.979 -7.364 1.00 0.00 N ATOM 0 H HIS A 12 -4.499 -6.680 -8.914 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.298 -6.966 -7.987 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.609 -7.532 -6.822 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.929 -7.106 -5.751 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.819 -9.686 -8.799 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.587 -11.551 -5.431 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.886 -11.829 -7.912 1.00 0.00 H new ATOM 144 N SER A 13 -7.454 -4.832 -6.696 1.00 0.00 N ATOM 145 CA SER A 13 -7.666 -3.476 -6.219 1.00 0.00 C ATOM 146 C SER A 13 -7.642 -3.450 -4.689 1.00 0.00 C ATOM 147 O SER A 13 -8.398 -4.172 -4.041 1.00 0.00 O ATOM 148 CB SER A 13 -8.989 -2.910 -6.739 1.00 0.00 C ATOM 149 OG SER A 13 -9.646 -3.814 -7.622 1.00 0.00 O ATOM 0 H SER A 13 -8.200 -5.487 -6.464 1.00 0.00 H new ATOM 0 HA SER A 13 -6.859 -2.849 -6.599 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.643 -2.686 -5.897 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.802 -1.969 -7.257 1.00 0.00 H new ATOM 0 HG SER A 13 -10.487 -3.417 -7.931 1.00 0.00 H new ATOM 155 N VAL A 14 -6.766 -2.611 -4.157 1.00 0.00 N ATOM 156 CA VAL A 14 -6.635 -2.481 -2.716 1.00 0.00 C ATOM 157 C VAL A 14 -6.300 -1.030 -2.367 1.00 0.00 C ATOM 158 O VAL A 14 -5.650 -0.334 -3.146 1.00 0.00 O ATOM 159 CB VAL A 14 -5.596 -3.476 -2.194 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.253 -3.290 -2.903 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.437 -3.357 -0.677 1.00 0.00 C ATOM 0 H VAL A 14 -6.140 -2.014 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.576 -2.725 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.954 -4.481 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.533 -4.009 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.382 -3.449 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.886 -2.279 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.693 -4.075 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.113 -2.348 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.392 -3.563 -0.194 1.00 0.00 H new ATOM 171 N ARG A 15 -6.759 -0.616 -1.195 1.00 0.00 N ATOM 172 CA ARG A 15 -6.516 0.741 -0.733 1.00 0.00 C ATOM 173 C ARG A 15 -6.073 0.732 0.732 1.00 0.00 C ATOM 174 O ARG A 15 -6.889 0.525 1.629 1.00 0.00 O ATOM 175 CB ARG A 15 -7.772 1.603 -0.874 1.00 0.00 C ATOM 176 CG ARG A 15 -7.833 2.261 -2.254 1.00 0.00 C ATOM 177 CD ARG A 15 -8.906 3.351 -2.294 1.00 0.00 C ATOM 178 NE ARG A 15 -9.440 3.486 -3.668 1.00 0.00 N ATOM 179 CZ ARG A 15 -10.398 2.702 -4.182 1.00 0.00 C ATOM 180 NH1 ARG A 15 -10.933 1.724 -3.439 1.00 0.00 N ATOM 181 NH2 ARG A 15 -10.820 2.897 -5.439 1.00 0.00 N ATOM 0 H ARG A 15 -7.298 -1.196 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.726 1.166 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.659 0.988 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.779 2.371 -0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.862 2.692 -2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.047 1.507 -3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.713 3.104 -1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.484 4.300 -1.964 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.055 4.222 -4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.611 1.576 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.662 1.127 -3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.412 3.642 -6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.549 2.301 -5.831 1.00 0.00 H new ATOM 195 N VAL A 16 -4.783 0.959 0.928 1.00 0.00 N ATOM 196 CA VAL A 16 -4.222 0.979 2.268 1.00 0.00 C ATOM 197 C VAL A 16 -4.220 2.416 2.794 1.00 0.00 C ATOM 198 O VAL A 16 -4.032 3.360 2.028 1.00 0.00 O ATOM 199 CB VAL A 16 -2.831 0.343 2.263 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.094 0.624 3.575 1.00 0.00 C ATOM 201 CG2 VAL A 16 -2.917 -1.161 1.994 1.00 0.00 C ATOM 0 H VAL A 16 -4.110 1.131 0.181 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.834 0.385 2.947 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.259 0.796 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.108 0.161 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.985 1.700 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.663 0.211 4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.914 -1.589 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.516 -1.636 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.382 -1.331 1.023 1.00 0.00 H new ATOM 211 N GLU A 17 -4.432 2.536 4.096 1.00 0.00 N ATOM 212 CA GLU A 17 -4.458 3.842 4.733 1.00 0.00 C ATOM 213 C GLU A 17 -3.057 4.225 5.214 1.00 0.00 C ATOM 214 O GLU A 17 -2.155 3.389 5.240 1.00 0.00 O ATOM 215 CB GLU A 17 -5.461 3.870 5.888 1.00 0.00 C ATOM 216 CG GLU A 17 -6.369 5.097 5.796 1.00 0.00 C ATOM 217 CD GLU A 17 -6.465 5.811 7.146 1.00 0.00 C ATOM 218 OE1 GLU A 17 -5.609 6.690 7.385 1.00 0.00 O ATOM 219 OE2 GLU A 17 -7.391 5.461 7.908 1.00 0.00 O ATOM 0 H GLU A 17 -4.587 1.750 4.728 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.782 4.577 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.066 2.963 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.927 3.879 6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.982 5.784 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.364 4.794 5.469 1.00 0.00 H new ATOM 226 N LYS A 18 -2.918 5.490 5.582 1.00 0.00 N ATOM 227 CA LYS A 18 -1.642 5.995 6.061 1.00 0.00 C ATOM 228 C LYS A 18 -1.652 6.026 7.590 1.00 0.00 C ATOM 229 O LYS A 18 -2.700 5.854 8.211 1.00 0.00 O ATOM 230 CB LYS A 18 -1.326 7.347 5.420 1.00 0.00 C ATOM 231 CG LYS A 18 -2.204 8.452 6.010 1.00 0.00 C ATOM 232 CD LYS A 18 -3.176 8.998 4.962 1.00 0.00 C ATOM 233 CE LYS A 18 -4.608 9.019 5.501 1.00 0.00 C ATOM 234 NZ LYS A 18 -5.411 10.046 4.800 1.00 0.00 N ATOM 0 H LYS A 18 -3.668 6.181 5.558 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.832 5.330 5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.275 7.591 5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.483 7.289 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.762 8.062 6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.575 9.260 6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.877 10.006 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.131 8.383 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.066 8.039 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.597 9.226 6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.041 10.518 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.777 10.749 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.981 9.594 4.057 1.00 0.00 H new ATOM 248 N SER A 19 -0.474 6.248 8.154 1.00 0.00 N ATOM 249 CA SER A 19 -0.334 6.304 9.599 1.00 0.00 C ATOM 250 C SER A 19 1.105 6.666 9.972 1.00 0.00 C ATOM 251 O SER A 19 2.051 6.056 9.475 1.00 0.00 O ATOM 252 CB SER A 19 -0.731 4.974 10.243 1.00 0.00 C ATOM 253 OG SER A 19 0.314 4.008 10.160 1.00 0.00 O ATOM 0 H SER A 19 0.393 6.391 7.636 1.00 0.00 H new ATOM 0 HA SER A 19 -1.005 7.075 9.978 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.989 5.140 11.289 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.624 4.586 9.752 1.00 0.00 H new ATOM 0 HG SER A 19 1.136 4.441 9.848 1.00 0.00 H new ATOM 259 N PRO A 20 1.229 7.682 10.867 1.00 0.00 N ATOM 260 CA PRO A 20 2.537 8.133 11.312 1.00 0.00 C ATOM 261 C PRO A 20 3.150 7.140 12.302 1.00 0.00 C ATOM 262 O PRO A 20 2.772 7.111 13.472 1.00 0.00 O ATOM 263 CB PRO A 20 2.295 9.505 11.919 1.00 0.00 C ATOM 264 CG PRO A 20 0.805 9.574 12.212 1.00 0.00 C ATOM 265 CD PRO A 20 0.131 8.427 11.476 1.00 0.00 C ATOM 0 HA PRO A 20 3.260 8.195 10.499 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.879 9.638 12.830 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.595 10.295 11.231 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.623 9.499 13.284 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.396 10.530 11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.442 7.800 12.159 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.565 8.795 10.722 1.00 0.00 H new ATOM 273 N ALA A 21 4.087 6.352 11.796 1.00 0.00 N ATOM 274 CA ALA A 21 4.757 5.361 12.621 1.00 0.00 C ATOM 275 C ALA A 21 6.144 5.075 12.042 1.00 0.00 C ATOM 276 O ALA A 21 7.157 5.385 12.666 1.00 0.00 O ATOM 277 CB ALA A 21 3.892 4.102 12.711 1.00 0.00 C ATOM 0 H ALA A 21 4.398 6.380 10.825 1.00 0.00 H new ATOM 0 HA ALA A 21 4.894 5.736 13.635 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.395 3.359 13.330 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.929 4.353 13.156 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.735 3.696 11.712 1.00 0.00 H new ATOM 283 N GLY A 22 6.145 4.486 10.855 1.00 0.00 N ATOM 284 CA GLY A 22 7.391 4.155 10.185 1.00 0.00 C ATOM 285 C GLY A 22 7.183 3.034 9.164 1.00 0.00 C ATOM 286 O GLY A 22 7.449 3.214 7.977 1.00 0.00 O ATOM 0 H GLY A 22 5.303 4.230 10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.785 5.039 9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.134 3.848 10.921 1.00 0.00 H new ATOM 290 N ARG A 23 6.709 1.902 9.664 1.00 0.00 N ATOM 291 CA ARG A 23 6.463 0.753 8.810 1.00 0.00 C ATOM 292 C ARG A 23 4.961 0.581 8.572 1.00 0.00 C ATOM 293 O ARG A 23 4.229 0.173 9.472 1.00 0.00 O ATOM 294 CB ARG A 23 7.023 -0.527 9.434 1.00 0.00 C ATOM 295 CG ARG A 23 7.246 -1.604 8.370 1.00 0.00 C ATOM 296 CD ARG A 23 8.598 -1.418 7.677 1.00 0.00 C ATOM 297 NE ARG A 23 9.667 -2.062 8.473 1.00 0.00 N ATOM 298 CZ ARG A 23 10.961 -2.070 8.124 1.00 0.00 C ATOM 299 NH1 ARG A 23 11.354 -1.470 6.993 1.00 0.00 N ATOM 300 NH2 ARG A 23 11.862 -2.679 8.907 1.00 0.00 N ATOM 0 H ARG A 23 6.489 1.756 10.649 1.00 0.00 H new ATOM 0 HA ARG A 23 6.967 0.931 7.860 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.964 -0.308 9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.334 -0.898 10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.202 -2.591 8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.446 -1.562 7.631 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.566 -1.851 6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.812 -0.356 7.557 1.00 0.00 H new ATOM 0 HE ARG A 23 9.403 -2.528 9.341 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.668 -1.007 6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.339 -1.476 6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.563 -3.136 9.768 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.847 -2.685 8.642 1.00 0.00 H new ATOM 314 N LEU A 24 4.547 0.900 7.354 1.00 0.00 N ATOM 315 CA LEU A 24 3.146 0.786 6.986 1.00 0.00 C ATOM 316 C LEU A 24 2.578 -0.515 7.556 1.00 0.00 C ATOM 317 O LEU A 24 3.330 -1.418 7.920 1.00 0.00 O ATOM 318 CB LEU A 24 2.978 0.919 5.471 1.00 0.00 C ATOM 319 CG LEU A 24 2.126 2.096 4.992 1.00 0.00 C ATOM 320 CD1 LEU A 24 3.005 3.229 4.459 1.00 0.00 C ATOM 321 CD2 LEU A 24 1.091 1.640 3.961 1.00 0.00 C ATOM 0 H LEU A 24 5.157 1.237 6.610 1.00 0.00 H new ATOM 0 HA LEU A 24 2.570 1.603 7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.967 1.006 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.535 -0.002 5.092 1.00 0.00 H new ATOM 0 HG LEU A 24 1.577 2.490 5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.374 4.053 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.669 3.578 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.600 2.865 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.499 2.496 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.601 1.205 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.435 0.894 4.409 1.00 0.00 H new ATOM 333 N GLY A 25 1.256 -0.570 7.615 1.00 0.00 N ATOM 334 CA GLY A 25 0.578 -1.745 8.134 1.00 0.00 C ATOM 335 C GLY A 25 1.135 -3.023 7.503 1.00 0.00 C ATOM 336 O GLY A 25 1.008 -4.107 8.071 1.00 0.00 O ATOM 0 H GLY A 25 0.636 0.181 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.696 -1.789 9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.491 -1.671 7.932 1.00 0.00 H new ATOM 340 N PHE A 26 1.739 -2.854 6.336 1.00 0.00 N ATOM 341 CA PHE A 26 2.315 -3.979 5.621 1.00 0.00 C ATOM 342 C PHE A 26 3.815 -3.776 5.395 1.00 0.00 C ATOM 343 O PHE A 26 4.308 -2.650 5.454 1.00 0.00 O ATOM 344 CB PHE A 26 1.612 -4.055 4.264 1.00 0.00 C ATOM 345 CG PHE A 26 1.863 -2.843 3.365 1.00 0.00 C ATOM 346 CD1 PHE A 26 3.025 -2.745 2.664 1.00 0.00 C ATOM 347 CD2 PHE A 26 0.925 -1.863 3.267 1.00 0.00 C ATOM 348 CE1 PHE A 26 3.257 -1.620 1.830 1.00 0.00 C ATOM 349 CE2 PHE A 26 1.158 -0.738 2.432 1.00 0.00 C ATOM 350 CZ PHE A 26 2.319 -0.640 1.731 1.00 0.00 C ATOM 0 H PHE A 26 1.842 -1.954 5.868 1.00 0.00 H new ATOM 0 HA PHE A 26 2.183 -4.894 6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.943 -4.954 3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.539 -4.158 4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.770 -3.523 2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.003 -1.940 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.179 -1.542 1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.413 0.040 2.354 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.496 0.215 1.096 1.00 0.00 H new ATOM 360 N SER A 27 4.498 -4.882 5.139 1.00 0.00 N ATOM 361 CA SER A 27 5.931 -4.839 4.904 1.00 0.00 C ATOM 362 C SER A 27 6.246 -5.354 3.498 1.00 0.00 C ATOM 363 O SER A 27 5.639 -6.319 3.036 1.00 0.00 O ATOM 364 CB SER A 27 6.686 -5.660 5.952 1.00 0.00 C ATOM 365 OG SER A 27 7.921 -5.050 6.318 1.00 0.00 O ATOM 0 H SER A 27 4.085 -5.813 5.089 1.00 0.00 H new ATOM 0 HA SER A 27 6.261 -3.803 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.063 -5.778 6.838 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.877 -6.660 5.561 1.00 0.00 H new ATOM 0 HG SER A 27 8.372 -5.603 6.990 1.00 0.00 H new ATOM 371 N VAL A 28 7.195 -4.687 2.857 1.00 0.00 N ATOM 372 CA VAL A 28 7.598 -5.066 1.513 1.00 0.00 C ATOM 373 C VAL A 28 9.045 -5.561 1.540 1.00 0.00 C ATOM 374 O VAL A 28 9.807 -5.213 2.441 1.00 0.00 O ATOM 375 CB VAL A 28 7.384 -3.893 0.554 1.00 0.00 C ATOM 376 CG1 VAL A 28 5.902 -3.529 0.455 1.00 0.00 C ATOM 377 CG2 VAL A 28 8.220 -2.682 0.973 1.00 0.00 C ATOM 0 H VAL A 28 7.696 -3.887 3.243 1.00 0.00 H new ATOM 0 HA VAL A 28 6.982 -5.886 1.145 1.00 0.00 H new ATOM 0 HB VAL A 28 7.719 -4.204 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.778 -2.693 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.340 -4.388 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.530 -3.247 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.049 -1.863 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.931 -2.370 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.277 -2.950 0.967 1.00 0.00 H new ATOM 387 N ARG A 29 9.380 -6.365 0.542 1.00 0.00 N ATOM 388 CA ARG A 29 10.723 -6.911 0.439 1.00 0.00 C ATOM 389 C ARG A 29 11.177 -6.934 -1.022 1.00 0.00 C ATOM 390 O ARG A 29 10.365 -6.761 -1.930 1.00 0.00 O ATOM 391 CB ARG A 29 10.785 -8.330 1.008 1.00 0.00 C ATOM 392 CG ARG A 29 10.159 -9.336 0.040 1.00 0.00 C ATOM 393 CD ARG A 29 10.245 -10.759 0.596 1.00 0.00 C ATOM 394 NE ARG A 29 11.488 -11.411 0.128 1.00 0.00 N ATOM 395 CZ ARG A 29 11.900 -12.620 0.533 1.00 0.00 C ATOM 396 NH1 ARG A 29 11.171 -13.315 1.417 1.00 0.00 N ATOM 397 NH2 ARG A 29 13.042 -13.134 0.055 1.00 0.00 N ATOM 0 H ARG A 29 8.745 -6.652 -0.203 1.00 0.00 H new ATOM 0 HA ARG A 29 11.387 -6.270 1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.822 -8.603 1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.262 -8.366 1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.116 -9.074 -0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.669 -9.286 -0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.226 -10.734 1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.378 -11.337 0.275 1.00 0.00 H new ATOM 0 HE ARG A 29 12.067 -10.909 -0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.302 -12.924 1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.485 -14.235 1.725 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.598 -12.605 -0.617 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.355 -14.054 0.363 1.00 0.00 H new ATOM 411 N GLY A 30 12.471 -7.148 -1.203 1.00 0.00 N ATOM 412 CA GLY A 30 13.043 -7.196 -2.538 1.00 0.00 C ATOM 413 C GLY A 30 13.731 -5.875 -2.887 1.00 0.00 C ATOM 414 O GLY A 30 14.753 -5.528 -2.296 1.00 0.00 O ATOM 0 H GLY A 30 13.141 -7.290 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.762 -8.012 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.259 -7.406 -3.266 1.00 0.00 H new ATOM 418 N GLY A 31 13.145 -5.174 -3.846 1.00 0.00 N ATOM 419 CA GLY A 31 13.689 -3.899 -4.281 1.00 0.00 C ATOM 420 C GLY A 31 14.139 -3.965 -5.742 1.00 0.00 C ATOM 421 O GLY A 31 13.311 -3.939 -6.652 1.00 0.00 O ATOM 0 H GLY A 31 12.298 -5.465 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.936 -3.119 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.533 -3.625 -3.649 1.00 0.00 H new ATOM 425 N SER A 32 15.449 -4.048 -5.921 1.00 0.00 N ATOM 426 CA SER A 32 16.019 -4.117 -7.256 1.00 0.00 C ATOM 427 C SER A 32 17.306 -4.943 -7.233 1.00 0.00 C ATOM 428 O SER A 32 18.399 -4.393 -7.108 1.00 0.00 O ATOM 429 CB SER A 32 16.296 -2.718 -7.810 1.00 0.00 C ATOM 430 OG SER A 32 17.118 -1.951 -6.935 1.00 0.00 O ATOM 0 H SER A 32 16.132 -4.069 -5.164 1.00 0.00 H new ATOM 0 HA SER A 32 15.296 -4.601 -7.912 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.781 -2.803 -8.782 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.352 -2.198 -7.969 1.00 0.00 H new ATOM 0 HG SER A 32 17.857 -2.506 -6.610 1.00 0.00 H new ATOM 436 N GLU A 33 17.134 -6.251 -7.357 1.00 0.00 N ATOM 437 CA GLU A 33 18.269 -7.159 -7.352 1.00 0.00 C ATOM 438 C GLU A 33 18.363 -7.898 -8.688 1.00 0.00 C ATOM 439 O GLU A 33 19.391 -7.842 -9.361 1.00 0.00 O ATOM 440 CB GLU A 33 18.177 -8.145 -6.185 1.00 0.00 C ATOM 441 CG GLU A 33 19.435 -9.013 -6.101 1.00 0.00 C ATOM 442 CD GLU A 33 20.415 -8.458 -5.066 1.00 0.00 C ATOM 443 OE1 GLU A 33 20.013 -8.386 -3.884 1.00 0.00 O ATOM 444 OE2 GLU A 33 21.545 -8.119 -5.479 1.00 0.00 O ATOM 0 H GLU A 33 16.226 -6.704 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 33 19.178 -6.573 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 33 18.045 -7.598 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.300 -8.780 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.160 -10.034 -5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.917 -9.056 -7.077 1.00 0.00 H new ATOM 451 N HIS A 34 17.277 -8.574 -9.032 1.00 0.00 N ATOM 452 CA HIS A 34 17.224 -9.324 -10.276 1.00 0.00 C ATOM 453 C HIS A 34 16.549 -8.477 -11.357 1.00 0.00 C ATOM 454 O HIS A 34 17.118 -8.259 -12.425 1.00 0.00 O ATOM 455 CB HIS A 34 16.539 -10.676 -10.067 1.00 0.00 C ATOM 456 CG HIS A 34 17.496 -11.839 -9.964 1.00 0.00 C ATOM 457 ND1 HIS A 34 17.200 -13.099 -10.456 1.00 0.00 N ATOM 458 CD2 HIS A 34 18.745 -11.921 -9.423 1.00 0.00 C ATOM 459 CE1 HIS A 34 18.231 -13.895 -10.215 1.00 0.00 C ATOM 460 NE2 HIS A 34 19.188 -13.164 -9.575 1.00 0.00 N ATOM 0 H HIS A 34 16.426 -8.618 -8.471 1.00 0.00 H new ATOM 0 HA HIS A 34 18.236 -9.545 -10.616 1.00 0.00 H new ATOM 0 HB2 HIS A 34 15.939 -10.631 -9.158 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.852 -10.856 -10.894 1.00 0.00 H new ATOM 0 HD2 HIS A 34 19.283 -11.112 -8.951 1.00 0.00 H new ATOM 0 HE1 HIS A 34 18.301 -14.940 -10.479 1.00 0.00 H new ATOM 0 HE2 HIS A 34 20.094 -13.514 -9.264 1.00 0.00 H new ATOM 468 N GLY A 35 15.345 -8.024 -11.041 1.00 0.00 N ATOM 469 CA GLY A 35 14.586 -7.206 -11.972 1.00 0.00 C ATOM 470 C GLY A 35 13.082 -7.423 -11.792 1.00 0.00 C ATOM 471 O GLY A 35 12.380 -7.755 -12.747 1.00 0.00 O ATOM 0 H GLY A 35 14.876 -8.208 -10.154 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.826 -6.154 -11.817 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.873 -7.451 -12.995 1.00 0.00 H new ATOM 475 N LEU A 36 12.631 -7.227 -10.562 1.00 0.00 N ATOM 476 CA LEU A 36 11.223 -7.397 -10.245 1.00 0.00 C ATOM 477 C LEU A 36 10.709 -6.142 -9.537 1.00 0.00 C ATOM 478 O LEU A 36 11.457 -5.187 -9.338 1.00 0.00 O ATOM 479 CB LEU A 36 11.005 -8.686 -9.449 1.00 0.00 C ATOM 480 CG LEU A 36 11.477 -9.977 -10.121 1.00 0.00 C ATOM 481 CD1 LEU A 36 11.781 -11.057 -9.080 1.00 0.00 C ATOM 482 CD2 LEU A 36 10.464 -10.454 -11.163 1.00 0.00 C ATOM 0 H LEU A 36 13.216 -6.952 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 36 10.638 -7.511 -11.158 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.518 -8.590 -8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.941 -8.780 -9.233 1.00 0.00 H new ATOM 0 HG LEU A 36 12.407 -9.768 -10.649 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.114 -11.964 -9.584 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.565 -10.705 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.880 -11.272 -8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.823 -11.373 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.506 -10.642 -10.679 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.340 -9.687 -11.928 1.00 0.00 H new ATOM 494 N GLY A 37 9.435 -6.186 -9.175 1.00 0.00 N ATOM 495 CA GLY A 37 8.812 -5.064 -8.493 1.00 0.00 C ATOM 496 C GLY A 37 8.855 -5.253 -6.975 1.00 0.00 C ATOM 497 O GLY A 37 9.750 -5.917 -6.454 1.00 0.00 O ATOM 0 H GLY A 37 8.817 -6.981 -9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.324 -4.140 -8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.778 -4.963 -8.821 1.00 0.00 H new ATOM 501 N ILE A 38 7.877 -4.657 -6.309 1.00 0.00 N ATOM 502 CA ILE A 38 7.792 -4.751 -4.861 1.00 0.00 C ATOM 503 C ILE A 38 6.940 -5.963 -4.482 1.00 0.00 C ATOM 504 O ILE A 38 5.958 -6.271 -5.156 1.00 0.00 O ATOM 505 CB ILE A 38 7.287 -3.434 -4.268 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.072 -2.245 -4.824 1.00 0.00 C ATOM 507 CG2 ILE A 38 7.315 -3.475 -2.739 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.503 -2.231 -4.282 1.00 0.00 C ATOM 0 H ILE A 38 7.137 -4.107 -6.745 1.00 0.00 H new ATOM 0 HA ILE A 38 8.781 -4.909 -4.431 1.00 0.00 H new ATOM 0 HB ILE A 38 6.247 -3.301 -4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.092 -2.295 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.569 -1.316 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.951 -2.527 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.677 -4.285 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.337 -3.642 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.039 -1.376 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.480 -2.156 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.011 -3.151 -4.572 1.00 0.00 H new ATOM 520 N PHE A 39 7.347 -6.619 -3.405 1.00 0.00 N ATOM 521 CA PHE A 39 6.632 -7.791 -2.929 1.00 0.00 C ATOM 522 C PHE A 39 6.359 -7.694 -1.427 1.00 0.00 C ATOM 523 O PHE A 39 7.239 -7.315 -0.655 1.00 0.00 O ATOM 524 CB PHE A 39 7.531 -9.001 -3.195 1.00 0.00 C ATOM 525 CG PHE A 39 7.805 -9.259 -4.677 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.686 -8.472 -5.353 1.00 0.00 C ATOM 527 CD2 PHE A 39 7.169 -10.274 -5.321 1.00 0.00 C ATOM 528 CE1 PHE A 39 8.941 -8.711 -6.729 1.00 0.00 C ATOM 529 CE2 PHE A 39 7.424 -10.513 -6.697 1.00 0.00 C ATOM 530 CZ PHE A 39 8.305 -9.727 -7.372 1.00 0.00 C ATOM 0 H PHE A 39 8.162 -6.361 -2.849 1.00 0.00 H new ATOM 0 HA PHE A 39 5.673 -7.876 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.481 -8.855 -2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.067 -9.887 -2.762 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.191 -7.665 -4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.470 -10.899 -4.785 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.640 -8.086 -7.265 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.918 -11.319 -7.208 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.500 -9.910 -8.419 1.00 0.00 H new ATOM 540 N VAL A 40 5.136 -8.043 -1.056 1.00 0.00 N ATOM 541 CA VAL A 40 4.736 -7.999 0.340 1.00 0.00 C ATOM 542 C VAL A 40 5.362 -9.181 1.082 1.00 0.00 C ATOM 543 O VAL A 40 5.232 -10.327 0.655 1.00 0.00 O ATOM 544 CB VAL A 40 3.210 -7.967 0.446 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.766 -7.623 1.869 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.610 -6.990 -0.567 1.00 0.00 C ATOM 0 H VAL A 40 4.409 -8.358 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 40 5.101 -7.088 0.814 1.00 0.00 H new ATOM 0 HB VAL A 40 2.837 -8.964 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.677 -7.607 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.148 -8.373 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.156 -6.643 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.524 -6.987 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.994 -5.988 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.883 -7.299 -1.576 1.00 0.00 H new ATOM 556 N SER A 41 6.028 -8.862 2.182 1.00 0.00 N ATOM 557 CA SER A 41 6.675 -9.883 2.988 1.00 0.00 C ATOM 558 C SER A 41 5.772 -10.276 4.159 1.00 0.00 C ATOM 559 O SER A 41 5.462 -11.453 4.341 1.00 0.00 O ATOM 560 CB SER A 41 8.032 -9.400 3.504 1.00 0.00 C ATOM 561 OG SER A 41 8.168 -9.592 4.910 1.00 0.00 O ATOM 0 H SER A 41 6.134 -7.911 2.534 1.00 0.00 H new ATOM 0 HA SER A 41 6.846 -10.757 2.359 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.828 -9.935 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.154 -8.343 3.269 1.00 0.00 H new ATOM 0 HG SER A 41 9.048 -9.273 5.200 1.00 0.00 H new ATOM 567 N LYS A 42 5.373 -9.269 4.922 1.00 0.00 N ATOM 568 CA LYS A 42 4.511 -9.495 6.069 1.00 0.00 C ATOM 569 C LYS A 42 3.437 -8.407 6.116 1.00 0.00 C ATOM 570 O LYS A 42 3.522 -7.413 5.396 1.00 0.00 O ATOM 571 CB LYS A 42 5.341 -9.595 7.351 1.00 0.00 C ATOM 572 CG LYS A 42 4.725 -10.601 8.325 1.00 0.00 C ATOM 573 CD LYS A 42 5.720 -11.710 8.671 1.00 0.00 C ATOM 574 CE LYS A 42 5.451 -12.967 7.840 1.00 0.00 C ATOM 575 NZ LYS A 42 6.666 -13.365 7.095 1.00 0.00 N ATOM 0 H LYS A 42 5.631 -8.294 4.768 1.00 0.00 H new ATOM 0 HA LYS A 42 3.994 -10.450 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.359 -9.897 7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.404 -8.616 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.416 -10.088 9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.828 -11.037 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.737 -11.361 8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.649 -11.949 9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.134 -13.781 8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.634 -12.781 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.466 -14.219 6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.951 -12.594 6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.436 -13.562 7.766 1.00 0.00 H new ATOM 589 N VAL A 43 2.450 -8.631 6.971 1.00 0.00 N ATOM 590 CA VAL A 43 1.360 -7.682 7.121 1.00 0.00 C ATOM 591 C VAL A 43 0.935 -7.628 8.590 1.00 0.00 C ATOM 592 O VAL A 43 0.297 -8.553 9.090 1.00 0.00 O ATOM 593 CB VAL A 43 0.211 -8.052 6.181 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.034 -7.214 6.480 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.632 -7.905 4.717 1.00 0.00 C ATOM 0 H VAL A 43 2.382 -9.456 7.567 1.00 0.00 H new ATOM 0 HA VAL A 43 1.685 -6.680 6.839 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.040 -9.098 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.836 -7.497 5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.353 -7.390 7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.802 -6.157 6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.203 -8.174 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.923 -6.872 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.476 -8.564 4.513 1.00 0.00 H new ATOM 605 N GLU A 44 1.308 -6.535 9.241 1.00 0.00 N ATOM 606 CA GLU A 44 0.974 -6.348 10.642 1.00 0.00 C ATOM 607 C GLU A 44 -0.434 -6.875 10.927 1.00 0.00 C ATOM 608 O GLU A 44 -1.400 -6.444 10.299 1.00 0.00 O ATOM 609 CB GLU A 44 1.102 -4.878 11.045 1.00 0.00 C ATOM 610 CG GLU A 44 1.999 -4.722 12.274 1.00 0.00 C ATOM 611 CD GLU A 44 1.654 -3.447 13.047 1.00 0.00 C ATOM 612 OE1 GLU A 44 0.732 -3.526 13.887 1.00 0.00 O ATOM 613 OE2 GLU A 44 2.320 -2.424 12.781 1.00 0.00 O ATOM 0 H GLU A 44 1.838 -5.770 8.823 1.00 0.00 H new ATOM 0 HA GLU A 44 1.682 -6.918 11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.514 -4.304 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.114 -4.468 11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.884 -5.589 12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.044 -4.692 11.965 1.00 0.00 H new ATOM 620 N GLU A 45 -0.506 -7.798 11.875 1.00 0.00 N ATOM 621 CA GLU A 45 -1.780 -8.387 12.251 1.00 0.00 C ATOM 622 C GLU A 45 -2.811 -7.291 12.525 1.00 0.00 C ATOM 623 O GLU A 45 -2.459 -6.201 12.974 1.00 0.00 O ATOM 624 CB GLU A 45 -1.622 -9.308 13.462 1.00 0.00 C ATOM 625 CG GLU A 45 -0.957 -10.627 13.066 1.00 0.00 C ATOM 626 CD GLU A 45 0.321 -10.862 13.874 1.00 0.00 C ATOM 627 OE1 GLU A 45 1.141 -9.921 13.925 1.00 0.00 O ATOM 628 OE2 GLU A 45 0.448 -11.978 14.422 1.00 0.00 O ATOM 0 H GLU A 45 0.297 -8.152 12.394 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.137 -8.994 11.419 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.024 -8.811 14.226 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.599 -9.507 13.902 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.651 -11.451 13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.721 -10.614 12.002 1.00 0.00 H new ATOM 635 N GLY A 46 -4.064 -7.619 12.245 1.00 0.00 N ATOM 636 CA GLY A 46 -5.149 -6.676 12.457 1.00 0.00 C ATOM 637 C GLY A 46 -4.746 -5.268 12.014 1.00 0.00 C ATOM 638 O GLY A 46 -4.898 -4.308 12.768 1.00 0.00 O ATOM 0 H GLY A 46 -4.352 -8.524 11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.029 -6.998 11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.425 -6.664 13.511 1.00 0.00 H new ATOM 642 N SER A 47 -4.240 -5.189 10.792 1.00 0.00 N ATOM 643 CA SER A 47 -3.814 -3.914 10.239 1.00 0.00 C ATOM 644 C SER A 47 -4.782 -3.470 9.141 1.00 0.00 C ATOM 645 O SER A 47 -5.594 -4.263 8.666 1.00 0.00 O ATOM 646 CB SER A 47 -2.390 -4.001 9.688 1.00 0.00 C ATOM 647 OG SER A 47 -2.281 -4.961 8.639 1.00 0.00 O ATOM 0 H SER A 47 -4.115 -5.987 10.169 1.00 0.00 H new ATOM 0 HA SER A 47 -3.820 -3.175 11.040 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.084 -3.023 9.317 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.705 -4.265 10.494 1.00 0.00 H new ATOM 0 HG SER A 47 -2.255 -5.863 9.022 1.00 0.00 H new ATOM 653 N SER A 48 -4.664 -2.204 8.769 1.00 0.00 N ATOM 654 CA SER A 48 -5.519 -1.645 7.735 1.00 0.00 C ATOM 655 C SER A 48 -5.289 -2.379 6.412 1.00 0.00 C ATOM 656 O SER A 48 -6.190 -2.460 5.579 1.00 0.00 O ATOM 657 CB SER A 48 -5.265 -0.146 7.562 1.00 0.00 C ATOM 658 OG SER A 48 -6.228 0.642 8.256 1.00 0.00 O ATOM 0 H SER A 48 -3.989 -1.549 9.165 1.00 0.00 H new ATOM 0 HA SER A 48 -6.557 -1.777 8.040 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.267 0.097 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.287 0.105 6.502 1.00 0.00 H new ATOM 0 HG SER A 48 -6.030 1.593 8.122 1.00 0.00 H new ATOM 664 N ALA A 49 -4.077 -2.894 6.261 1.00 0.00 N ATOM 665 CA ALA A 49 -3.718 -3.618 5.054 1.00 0.00 C ATOM 666 C ALA A 49 -4.523 -4.916 4.984 1.00 0.00 C ATOM 667 O ALA A 49 -5.308 -5.116 4.057 1.00 0.00 O ATOM 668 CB ALA A 49 -2.208 -3.867 5.038 1.00 0.00 C ATOM 0 H ALA A 49 -3.332 -2.824 6.954 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.961 -3.031 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.938 -4.410 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.682 -2.913 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.927 -4.456 5.911 1.00 0.00 H new ATOM 674 N GLU A 50 -4.303 -5.767 5.976 1.00 0.00 N ATOM 675 CA GLU A 50 -4.998 -7.040 6.039 1.00 0.00 C ATOM 676 C GLU A 50 -6.495 -6.841 5.789 1.00 0.00 C ATOM 677 O GLU A 50 -7.167 -7.736 5.279 1.00 0.00 O ATOM 678 CB GLU A 50 -4.755 -7.733 7.381 1.00 0.00 C ATOM 679 CG GLU A 50 -4.269 -9.169 7.177 1.00 0.00 C ATOM 680 CD GLU A 50 -4.906 -10.114 8.198 1.00 0.00 C ATOM 681 OE1 GLU A 50 -5.045 -9.681 9.363 1.00 0.00 O ATOM 682 OE2 GLU A 50 -5.240 -11.248 7.792 1.00 0.00 O ATOM 0 H GLU A 50 -3.652 -5.599 6.743 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.601 -7.686 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.016 -7.173 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.676 -7.736 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.514 -9.500 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.184 -9.206 7.270 1.00 0.00 H new ATOM 689 N ARG A 51 -6.972 -5.662 6.159 1.00 0.00 N ATOM 690 CA ARG A 51 -8.376 -5.334 5.981 1.00 0.00 C ATOM 691 C ARG A 51 -8.608 -4.726 4.596 1.00 0.00 C ATOM 692 O ARG A 51 -9.650 -4.949 3.983 1.00 0.00 O ATOM 693 CB ARG A 51 -8.851 -4.346 7.049 1.00 0.00 C ATOM 694 CG ARG A 51 -9.097 -5.057 8.382 1.00 0.00 C ATOM 695 CD ARG A 51 -10.463 -4.682 8.959 1.00 0.00 C ATOM 696 NE ARG A 51 -10.296 -3.712 10.065 1.00 0.00 N ATOM 697 CZ ARG A 51 -11.313 -3.180 10.757 1.00 0.00 C ATOM 698 NH1 ARG A 51 -12.575 -3.520 10.462 1.00 0.00 N ATOM 699 NH2 ARG A 51 -11.067 -2.308 11.744 1.00 0.00 N ATOM 0 H ARG A 51 -6.411 -4.922 6.581 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.946 -6.258 6.077 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.105 -3.563 7.183 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.768 -3.859 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.043 -6.136 8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.313 -4.790 9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.091 -4.252 8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.972 -5.575 9.321 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.348 -3.431 10.316 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.762 -4.184 9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.349 -3.115 10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.106 -2.049 11.968 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.841 -1.903 12.271 1.00 0.00 H new ATOM 713 N ALA A 52 -7.618 -3.970 4.144 1.00 0.00 N ATOM 714 CA ALA A 52 -7.701 -3.328 2.843 1.00 0.00 C ATOM 715 C ALA A 52 -7.760 -4.401 1.753 1.00 0.00 C ATOM 716 O ALA A 52 -8.214 -4.137 0.641 1.00 0.00 O ATOM 717 CB ALA A 52 -6.514 -2.380 2.664 1.00 0.00 C ATOM 0 H ALA A 52 -6.754 -3.788 4.655 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.609 -2.730 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.577 -1.899 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.534 -1.620 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.584 -2.945 2.731 1.00 0.00 H new ATOM 723 N GLY A 53 -7.292 -5.588 2.110 1.00 0.00 N ATOM 724 CA GLY A 53 -7.286 -6.701 1.177 1.00 0.00 C ATOM 725 C GLY A 53 -5.865 -7.226 0.960 1.00 0.00 C ATOM 726 O GLY A 53 -5.676 -8.299 0.388 1.00 0.00 O ATOM 0 H GLY A 53 -6.914 -5.803 3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.920 -7.502 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.710 -6.384 0.224 1.00 0.00 H new ATOM 730 N LEU A 54 -4.902 -6.446 1.428 1.00 0.00 N ATOM 731 CA LEU A 54 -3.504 -6.819 1.293 1.00 0.00 C ATOM 732 C LEU A 54 -3.214 -8.026 2.186 1.00 0.00 C ATOM 733 O LEU A 54 -3.798 -8.163 3.260 1.00 0.00 O ATOM 734 CB LEU A 54 -2.600 -5.616 1.571 1.00 0.00 C ATOM 735 CG LEU A 54 -1.172 -5.712 1.029 1.00 0.00 C ATOM 736 CD1 LEU A 54 -1.167 -5.763 -0.500 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.304 -4.572 1.567 1.00 0.00 C ATOM 0 H LEU A 54 -5.062 -5.557 1.901 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.287 -7.122 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.069 -4.728 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.549 -5.466 2.649 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.735 -6.646 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.140 -5.831 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.727 -6.635 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.630 -4.859 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.706 -4.663 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.730 -3.616 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.269 -4.624 2.655 1.00 0.00 H new ATOM 749 N CYS A 55 -2.312 -8.871 1.710 1.00 0.00 N ATOM 750 CA CYS A 55 -1.937 -10.063 2.452 1.00 0.00 C ATOM 751 C CYS A 55 -0.475 -10.385 2.137 1.00 0.00 C ATOM 752 O CYS A 55 0.215 -9.593 1.496 1.00 0.00 O ATOM 753 CB CYS A 55 -2.862 -11.240 2.137 1.00 0.00 C ATOM 754 SG CYS A 55 -4.071 -11.466 3.491 1.00 0.00 S ATOM 0 H CYS A 55 -1.829 -8.754 0.819 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.045 -9.878 3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.385 -11.061 1.198 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.275 -12.149 2.007 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.459 -10.304 3.925 1.00 0.00 H new ATOM 760 N VAL A 56 -0.045 -11.550 2.601 1.00 0.00 N ATOM 761 CA VAL A 56 1.322 -11.986 2.376 1.00 0.00 C ATOM 762 C VAL A 56 1.401 -12.738 1.046 1.00 0.00 C ATOM 763 O VAL A 56 0.452 -13.415 0.654 1.00 0.00 O ATOM 764 CB VAL A 56 1.807 -12.821 3.564 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.993 -13.701 3.167 1.00 0.00 C ATOM 766 CG2 VAL A 56 2.160 -11.927 4.754 1.00 0.00 C ATOM 0 H VAL A 56 -0.620 -12.205 3.132 1.00 0.00 H new ATOM 0 HA VAL A 56 1.990 -11.127 2.304 1.00 0.00 H new ATOM 0 HB VAL A 56 0.991 -13.477 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.318 -14.284 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.693 -14.376 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.814 -13.072 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.502 -12.545 5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.952 -11.235 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.279 -11.363 5.060 1.00 0.00 H new ATOM 776 N GLY A 57 2.542 -12.593 0.388 1.00 0.00 N ATOM 777 CA GLY A 57 2.757 -13.249 -0.890 1.00 0.00 C ATOM 778 C GLY A 57 2.401 -12.319 -2.052 1.00 0.00 C ATOM 779 O GLY A 57 2.914 -12.476 -3.158 1.00 0.00 O ATOM 0 H GLY A 57 3.327 -12.031 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.799 -13.558 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.151 -14.153 -0.945 1.00 0.00 H new ATOM 783 N ASP A 58 1.524 -11.369 -1.759 1.00 0.00 N ATOM 784 CA ASP A 58 1.093 -10.413 -2.765 1.00 0.00 C ATOM 785 C ASP A 58 2.314 -9.670 -3.313 1.00 0.00 C ATOM 786 O ASP A 58 3.317 -9.519 -2.616 1.00 0.00 O ATOM 787 CB ASP A 58 0.138 -9.378 -2.168 1.00 0.00 C ATOM 788 CG ASP A 58 -1.306 -9.853 -1.997 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.488 -10.884 -1.314 1.00 0.00 O ATOM 790 OD2 ASP A 58 -2.196 -9.174 -2.554 1.00 0.00 O ATOM 0 H ASP A 58 1.101 -11.241 -0.840 1.00 0.00 H new ATOM 0 HA ASP A 58 0.581 -10.963 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.521 -9.071 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.141 -8.494 -2.805 1.00 0.00 H new ATOM 795 N LYS A 59 2.188 -9.226 -4.554 1.00 0.00 N ATOM 796 CA LYS A 59 3.269 -8.502 -5.203 1.00 0.00 C ATOM 797 C LYS A 59 2.719 -7.210 -5.810 1.00 0.00 C ATOM 798 O LYS A 59 1.978 -7.247 -6.792 1.00 0.00 O ATOM 799 CB LYS A 59 3.984 -9.401 -6.214 1.00 0.00 C ATOM 800 CG LYS A 59 5.019 -8.609 -7.015 1.00 0.00 C ATOM 801 CD LYS A 59 5.168 -9.174 -8.429 1.00 0.00 C ATOM 802 CE LYS A 59 5.818 -8.151 -9.363 1.00 0.00 C ATOM 803 NZ LYS A 59 5.526 -8.481 -10.776 1.00 0.00 N ATOM 0 H LYS A 59 1.354 -9.353 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 59 4.027 -8.215 -4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.474 -10.223 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.255 -9.843 -6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.720 -7.562 -7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.981 -8.640 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.772 -10.081 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.189 -9.455 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.447 -7.152 -9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.896 -8.136 -9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.974 -7.777 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.901 -9.426 -10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.497 -8.472 -10.929 1.00 0.00 H new ATOM 817 N ILE A 60 3.102 -6.098 -5.201 1.00 0.00 N ATOM 818 CA ILE A 60 2.657 -4.796 -5.669 1.00 0.00 C ATOM 819 C ILE A 60 3.340 -4.477 -7.000 1.00 0.00 C ATOM 820 O ILE A 60 4.561 -4.339 -7.058 1.00 0.00 O ATOM 821 CB ILE A 60 2.882 -3.733 -4.592 1.00 0.00 C ATOM 822 CG1 ILE A 60 2.143 -4.095 -3.302 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.496 -2.344 -5.103 1.00 0.00 C ATOM 824 CD1 ILE A 60 2.987 -3.752 -2.072 1.00 0.00 C ATOM 0 H ILE A 60 3.716 -6.071 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 60 1.583 -4.805 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 60 3.946 -3.705 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.195 -3.558 -3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.907 -5.159 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.666 -1.607 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.104 -2.094 -5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.443 -2.339 -5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.439 -4.019 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.923 -4.309 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.201 -2.683 -2.064 1.00 0.00 H new ATOM 836 N THR A 61 2.522 -4.368 -8.037 1.00 0.00 N ATOM 837 CA THR A 61 3.032 -4.067 -9.364 1.00 0.00 C ATOM 838 C THR A 61 2.888 -2.574 -9.665 1.00 0.00 C ATOM 839 O THR A 61 3.555 -2.050 -10.556 1.00 0.00 O ATOM 840 CB THR A 61 2.301 -4.963 -10.366 1.00 0.00 C ATOM 841 OG1 THR A 61 0.934 -4.580 -10.241 1.00 0.00 O ATOM 842 CG2 THR A 61 2.314 -6.436 -9.953 1.00 0.00 C ATOM 0 H THR A 61 1.510 -4.483 -7.985 1.00 0.00 H new ATOM 0 HA THR A 61 4.099 -4.279 -9.435 1.00 0.00 H new ATOM 0 HB THR A 61 2.760 -4.858 -11.349 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.541 -5.020 -9.459 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.782 -7.028 -10.698 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.344 -6.785 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.825 -6.547 -8.985 1.00 0.00 H new ATOM 850 N GLU A 62 2.012 -1.932 -8.906 1.00 0.00 N ATOM 851 CA GLU A 62 1.771 -0.510 -9.081 1.00 0.00 C ATOM 852 C GLU A 62 1.035 0.057 -7.866 1.00 0.00 C ATOM 853 O GLU A 62 0.348 -0.675 -7.155 1.00 0.00 O ATOM 854 CB GLU A 62 0.992 -0.240 -10.369 1.00 0.00 C ATOM 855 CG GLU A 62 0.421 1.180 -10.378 1.00 0.00 C ATOM 856 CD GLU A 62 -0.356 1.450 -11.667 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.300 1.480 -12.730 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.590 1.621 -11.561 1.00 0.00 O ATOM 0 H GLU A 62 1.461 -2.371 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 62 2.734 -0.006 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.647 -0.378 -11.230 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.181 -0.962 -10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.235 1.318 -9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.231 1.902 -10.280 1.00 0.00 H new ATOM 865 N VAL A 63 1.203 1.356 -7.664 1.00 0.00 N ATOM 866 CA VAL A 63 0.563 2.029 -6.547 1.00 0.00 C ATOM 867 C VAL A 63 0.293 3.487 -6.923 1.00 0.00 C ATOM 868 O VAL A 63 1.127 4.133 -7.555 1.00 0.00 O ATOM 869 CB VAL A 63 1.420 1.884 -5.288 1.00 0.00 C ATOM 870 CG1 VAL A 63 2.904 2.070 -5.611 1.00 0.00 C ATOM 871 CG2 VAL A 63 0.969 2.863 -4.202 1.00 0.00 C ATOM 0 H VAL A 63 1.773 1.960 -8.256 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.399 1.568 -6.323 1.00 0.00 H new ATOM 0 HB VAL A 63 1.284 0.873 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.491 1.962 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.216 1.317 -6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.063 3.064 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.594 2.739 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.061 3.884 -4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.071 2.664 -3.942 1.00 0.00 H new ATOM 881 N ASN A 64 -0.875 3.963 -6.518 1.00 0.00 N ATOM 882 CA ASN A 64 -1.265 5.333 -6.804 1.00 0.00 C ATOM 883 C ASN A 64 -1.020 5.630 -8.285 1.00 0.00 C ATOM 884 O ASN A 64 -0.844 6.785 -8.670 1.00 0.00 O ATOM 885 CB ASN A 64 -0.439 6.324 -5.981 1.00 0.00 C ATOM 886 CG ASN A 64 -1.346 7.280 -5.203 1.00 0.00 C ATOM 887 OD1 ASN A 64 -2.499 7.495 -5.539 1.00 0.00 O ATOM 888 ND2 ASN A 64 -0.763 7.840 -4.147 1.00 0.00 N ATOM 0 H ASN A 64 -1.564 3.424 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.319 5.443 -6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.203 5.780 -5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.215 6.894 -6.641 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.285 8.493 -3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.206 7.616 -3.921 1.00 0.00 H new ATOM 895 N GLY A 65 -1.016 4.567 -9.076 1.00 0.00 N ATOM 896 CA GLY A 65 -0.795 4.699 -10.506 1.00 0.00 C ATOM 897 C GLY A 65 0.680 4.493 -10.854 1.00 0.00 C ATOM 898 O GLY A 65 1.003 3.948 -11.909 1.00 0.00 O ATOM 0 H GLY A 65 -1.162 3.610 -8.754 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.404 3.970 -11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.116 5.686 -10.838 1.00 0.00 H new ATOM 902 N LEU A 66 1.537 4.940 -9.948 1.00 0.00 N ATOM 903 CA LEU A 66 2.971 4.812 -10.147 1.00 0.00 C ATOM 904 C LEU A 66 3.360 3.334 -10.081 1.00 0.00 C ATOM 905 O LEU A 66 2.967 2.625 -9.155 1.00 0.00 O ATOM 906 CB LEU A 66 3.731 5.693 -9.153 1.00 0.00 C ATOM 907 CG LEU A 66 3.609 7.203 -9.366 1.00 0.00 C ATOM 908 CD1 LEU A 66 4.876 7.925 -8.904 1.00 0.00 C ATOM 909 CD2 LEU A 66 3.264 7.525 -10.822 1.00 0.00 C ATOM 0 H LEU A 66 1.266 5.391 -9.074 1.00 0.00 H new ATOM 0 HA LEU A 66 3.252 5.173 -11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.380 5.458 -8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.787 5.424 -9.193 1.00 0.00 H new ATOM 0 HG LEU A 66 2.787 7.570 -8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.764 8.997 -9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.038 7.734 -7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.731 7.560 -9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.183 8.605 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.048 7.142 -11.475 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.315 7.058 -11.083 1.00 0.00 H new ATOM 921 N SER A 67 4.129 2.912 -11.074 1.00 0.00 N ATOM 922 CA SER A 67 4.576 1.531 -11.141 1.00 0.00 C ATOM 923 C SER A 67 5.816 1.340 -10.265 1.00 0.00 C ATOM 924 O SER A 67 6.634 2.249 -10.134 1.00 0.00 O ATOM 925 CB SER A 67 4.875 1.118 -12.583 1.00 0.00 C ATOM 926 OG SER A 67 4.896 -0.299 -12.739 1.00 0.00 O ATOM 0 H SER A 67 4.454 3.503 -11.839 1.00 0.00 H new ATOM 0 HA SER A 67 3.774 0.893 -10.769 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.122 1.545 -13.246 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.837 1.530 -12.886 1.00 0.00 H new ATOM 0 HG SER A 67 4.441 -0.719 -11.979 1.00 0.00 H new ATOM 932 N LEU A 68 5.917 0.151 -9.689 1.00 0.00 N ATOM 933 CA LEU A 68 7.043 -0.171 -8.830 1.00 0.00 C ATOM 934 C LEU A 68 7.840 -1.320 -9.451 1.00 0.00 C ATOM 935 O LEU A 68 8.613 -1.987 -8.764 1.00 0.00 O ATOM 936 CB LEU A 68 6.566 -0.454 -7.404 1.00 0.00 C ATOM 937 CG LEU A 68 5.559 0.541 -6.824 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.125 0.125 -5.418 1.00 0.00 C ATOM 939 CD2 LEU A 68 6.117 1.966 -6.853 1.00 0.00 C ATOM 0 H LEU A 68 5.237 -0.601 -9.801 1.00 0.00 H new ATOM 0 HA LEU A 68 7.718 0.681 -8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.119 -1.448 -7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.437 -0.482 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 68 4.668 0.531 -7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.409 0.849 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.660 -0.860 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.996 0.089 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.381 2.653 -6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.032 2.011 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.336 2.250 -7.882 1.00 0.00 H new ATOM 951 N GLU A 69 7.625 -1.517 -10.743 1.00 0.00 N ATOM 952 CA GLU A 69 8.313 -2.574 -11.464 1.00 0.00 C ATOM 953 C GLU A 69 9.770 -2.182 -11.718 1.00 0.00 C ATOM 954 O GLU A 69 10.674 -3.001 -11.561 1.00 0.00 O ATOM 955 CB GLU A 69 7.596 -2.900 -12.776 1.00 0.00 C ATOM 956 CG GLU A 69 6.371 -3.782 -12.527 1.00 0.00 C ATOM 957 CD GLU A 69 6.111 -4.707 -13.718 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.759 -5.775 -13.760 1.00 0.00 O ATOM 959 OE2 GLU A 69 5.269 -4.326 -14.559 1.00 0.00 O ATOM 0 H GLU A 69 6.984 -0.962 -11.310 1.00 0.00 H new ATOM 0 HA GLU A 69 8.301 -3.474 -10.849 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.290 -1.976 -13.266 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.283 -3.408 -13.453 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.524 -4.377 -11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.497 -3.155 -12.351 1.00 0.00 H new ATOM 966 N SER A 70 9.953 -0.928 -12.107 1.00 0.00 N ATOM 967 CA SER A 70 11.284 -0.417 -12.384 1.00 0.00 C ATOM 968 C SER A 70 11.551 0.832 -11.542 1.00 0.00 C ATOM 969 O SER A 70 11.892 1.885 -12.078 1.00 0.00 O ATOM 970 CB SER A 70 11.454 -0.101 -13.871 1.00 0.00 C ATOM 971 OG SER A 70 10.948 1.189 -14.204 1.00 0.00 O ATOM 0 H SER A 70 9.201 -0.251 -12.237 1.00 0.00 H new ATOM 0 HA SER A 70 12.008 -1.187 -12.119 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.510 -0.155 -14.135 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.938 -0.857 -14.463 1.00 0.00 H new ATOM 0 HG SER A 70 11.479 1.876 -13.750 1.00 0.00 H new ATOM 977 N THR A 71 11.385 0.673 -10.237 1.00 0.00 N ATOM 978 CA THR A 71 11.604 1.775 -9.315 1.00 0.00 C ATOM 979 C THR A 71 12.323 1.284 -8.057 1.00 0.00 C ATOM 980 O THR A 71 12.214 0.114 -7.692 1.00 0.00 O ATOM 981 CB THR A 71 10.250 2.426 -9.026 1.00 0.00 C ATOM 982 OG1 THR A 71 10.226 3.570 -9.875 1.00 0.00 O ATOM 983 CG2 THR A 71 10.169 3.008 -7.613 1.00 0.00 C ATOM 0 H THR A 71 11.101 -0.202 -9.796 1.00 0.00 H new ATOM 0 HA THR A 71 12.258 2.531 -9.751 1.00 0.00 H new ATOM 0 HB THR A 71 9.458 1.690 -9.161 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.381 4.050 -9.753 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.188 3.458 -7.460 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.321 2.213 -6.883 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.940 3.768 -7.488 1.00 0.00 H new ATOM 991 N THR A 72 13.042 2.202 -7.429 1.00 0.00 N ATOM 992 CA THR A 72 13.779 1.877 -6.219 1.00 0.00 C ATOM 993 C THR A 72 12.816 1.653 -5.052 1.00 0.00 C ATOM 994 O THR A 72 11.835 2.380 -4.903 1.00 0.00 O ATOM 995 CB THR A 72 14.790 2.997 -5.966 1.00 0.00 C ATOM 996 OG1 THR A 72 13.994 4.177 -5.911 1.00 0.00 O ATOM 997 CG2 THR A 72 15.718 3.228 -7.160 1.00 0.00 C ATOM 0 H THR A 72 13.130 3.171 -7.735 1.00 0.00 H new ATOM 0 HA THR A 72 14.329 0.942 -6.330 1.00 0.00 H new ATOM 0 HB THR A 72 15.385 2.757 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.570 4.953 -5.748 1.00 0.00 H new ATOM 0 HG21 THR A 72 16.416 4.033 -6.928 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.275 2.315 -7.370 1.00 0.00 H new ATOM 0 HG23 THR A 72 15.126 3.501 -8.033 1.00 0.00 H new ATOM 1005 N MET A 73 13.128 0.642 -4.254 1.00 0.00 N ATOM 1006 CA MET A 73 12.303 0.313 -3.105 1.00 0.00 C ATOM 1007 C MET A 73 11.891 1.576 -2.345 1.00 0.00 C ATOM 1008 O MET A 73 10.706 1.891 -2.254 1.00 0.00 O ATOM 1009 CB MET A 73 13.078 -0.616 -2.168 1.00 0.00 C ATOM 1010 CG MET A 73 12.287 -0.887 -0.886 1.00 0.00 C ATOM 1011 SD MET A 73 10.732 -1.667 -1.282 1.00 0.00 S ATOM 1012 CE MET A 73 11.030 -3.301 -0.627 1.00 0.00 C ATOM 0 H MET A 73 13.941 0.040 -4.381 1.00 0.00 H new ATOM 0 HA MET A 73 11.401 -0.185 -3.461 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.288 -1.557 -2.676 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.039 -0.167 -1.918 1.00 0.00 H new ATOM 0 HG2 MET A 73 12.866 -1.528 -0.220 1.00 0.00 H new ATOM 0 HG3 MET A 73 12.109 0.048 -0.354 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.165 -3.935 -0.823 1.00 0.00 H new ATOM 0 HE2 MET A 73 11.910 -3.730 -1.106 1.00 0.00 H new ATOM 0 HE3 MET A 73 11.197 -3.237 0.448 1.00 0.00 H new ATOM 1022 N GLY A 74 12.894 2.265 -1.820 1.00 0.00 N ATOM 1023 CA GLY A 74 12.651 3.487 -1.072 1.00 0.00 C ATOM 1024 C GLY A 74 11.525 4.305 -1.707 1.00 0.00 C ATOM 1025 O GLY A 74 10.500 4.553 -1.074 1.00 0.00 O ATOM 0 H GLY A 74 13.876 2.000 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.391 3.241 -0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.563 4.083 -1.037 1.00 0.00 H new ATOM 1029 N SER A 75 11.753 4.700 -2.951 1.00 0.00 N ATOM 1030 CA SER A 75 10.771 5.485 -3.679 1.00 0.00 C ATOM 1031 C SER A 75 9.362 4.971 -3.376 1.00 0.00 C ATOM 1032 O SER A 75 8.562 5.671 -2.757 1.00 0.00 O ATOM 1033 CB SER A 75 11.039 5.443 -5.185 1.00 0.00 C ATOM 1034 OG SER A 75 11.195 6.747 -5.736 1.00 0.00 O ATOM 0 H SER A 75 12.604 4.491 -3.473 1.00 0.00 H new ATOM 0 HA SER A 75 10.851 6.522 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.939 4.858 -5.377 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.215 4.934 -5.686 1.00 0.00 H new ATOM 0 HG SER A 75 11.366 6.677 -6.698 1.00 0.00 H new ATOM 1040 N ALA A 76 9.101 3.753 -3.827 1.00 0.00 N ATOM 1041 CA ALA A 76 7.803 3.137 -3.611 1.00 0.00 C ATOM 1042 C ALA A 76 7.315 3.466 -2.199 1.00 0.00 C ATOM 1043 O ALA A 76 6.193 3.937 -2.019 1.00 0.00 O ATOM 1044 CB ALA A 76 7.905 1.631 -3.857 1.00 0.00 C ATOM 0 H ALA A 76 9.767 3.176 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 76 7.069 3.533 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.931 1.169 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.226 1.451 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.631 1.198 -3.169 1.00 0.00 H new ATOM 1050 N VAL A 77 8.183 3.204 -1.232 1.00 0.00 N ATOM 1051 CA VAL A 77 7.855 3.466 0.159 1.00 0.00 C ATOM 1052 C VAL A 77 7.584 4.961 0.342 1.00 0.00 C ATOM 1053 O VAL A 77 6.531 5.347 0.847 1.00 0.00 O ATOM 1054 CB VAL A 77 8.971 2.945 1.067 1.00 0.00 C ATOM 1055 CG1 VAL A 77 8.650 3.213 2.539 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.226 1.457 0.823 1.00 0.00 C ATOM 0 H VAL A 77 9.113 2.813 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 77 6.947 2.934 0.444 1.00 0.00 H new ATOM 0 HB VAL A 77 9.884 3.486 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.459 2.833 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.542 4.286 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.720 2.711 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.024 1.112 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.316 0.893 1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.520 1.304 -0.215 1.00 0.00 H new ATOM 1066 N LYS A 78 8.553 5.761 -0.079 1.00 0.00 N ATOM 1067 CA LYS A 78 8.432 7.205 0.032 1.00 0.00 C ATOM 1068 C LYS A 78 7.006 7.623 -0.335 1.00 0.00 C ATOM 1069 O LYS A 78 6.493 8.613 0.184 1.00 0.00 O ATOM 1070 CB LYS A 78 9.510 7.898 -0.803 1.00 0.00 C ATOM 1071 CG LYS A 78 10.575 8.533 0.095 1.00 0.00 C ATOM 1072 CD LYS A 78 11.700 7.541 0.396 1.00 0.00 C ATOM 1073 CE LYS A 78 11.650 7.081 1.854 1.00 0.00 C ATOM 1074 NZ LYS A 78 12.556 5.930 2.066 1.00 0.00 N ATOM 0 H LYS A 78 9.425 5.437 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 78 8.603 7.524 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.977 7.176 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.053 8.664 -1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.986 9.418 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.119 8.865 1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.615 6.678 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.664 8.006 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.936 7.903 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.630 6.802 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.510 5.630 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.265 5.142 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.531 6.208 1.833 1.00 0.00 H new ATOM 1088 N VAL A 79 6.408 6.847 -1.227 1.00 0.00 N ATOM 1089 CA VAL A 79 5.052 7.125 -1.670 1.00 0.00 C ATOM 1090 C VAL A 79 4.061 6.495 -0.689 1.00 0.00 C ATOM 1091 O VAL A 79 3.089 7.133 -0.288 1.00 0.00 O ATOM 1092 CB VAL A 79 4.861 6.638 -3.108 1.00 0.00 C ATOM 1093 CG1 VAL A 79 3.379 6.618 -3.488 1.00 0.00 C ATOM 1094 CG2 VAL A 79 5.667 7.493 -4.088 1.00 0.00 C ATOM 0 H VAL A 79 6.837 6.026 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 79 4.865 8.199 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 79 5.236 5.616 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.271 6.268 -4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.841 5.948 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.968 7.624 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.514 7.126 -5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.336 8.530 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.726 7.434 -3.837 1.00 0.00 H new ATOM 1104 N LEU A 80 4.342 5.251 -0.331 1.00 0.00 N ATOM 1105 CA LEU A 80 3.488 4.527 0.595 1.00 0.00 C ATOM 1106 C LEU A 80 3.441 5.275 1.929 1.00 0.00 C ATOM 1107 O LEU A 80 2.419 5.266 2.615 1.00 0.00 O ATOM 1108 CB LEU A 80 3.945 3.073 0.722 1.00 0.00 C ATOM 1109 CG LEU A 80 3.847 2.226 -0.549 1.00 0.00 C ATOM 1110 CD1 LEU A 80 4.855 1.076 -0.520 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.416 1.730 -0.768 1.00 0.00 C ATOM 0 H LEU A 80 5.150 4.726 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 80 2.467 4.483 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.981 3.067 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.353 2.593 1.501 1.00 0.00 H new ATOM 0 HG LEU A 80 4.103 2.856 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.765 0.490 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.865 1.479 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.655 0.438 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.374 1.131 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.108 1.121 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.746 2.584 -0.865 1.00 0.00 H new ATOM 1123 N THR A 81 4.559 5.906 2.258 1.00 0.00 N ATOM 1124 CA THR A 81 4.658 6.657 3.497 1.00 0.00 C ATOM 1125 C THR A 81 3.664 7.821 3.496 1.00 0.00 C ATOM 1126 O THR A 81 3.127 8.183 4.542 1.00 0.00 O ATOM 1127 CB THR A 81 6.113 7.101 3.666 1.00 0.00 C ATOM 1128 OG1 THR A 81 6.292 8.093 2.659 1.00 0.00 O ATOM 1129 CG2 THR A 81 7.108 6.002 3.288 1.00 0.00 C ATOM 0 H THR A 81 5.404 5.912 1.687 1.00 0.00 H new ATOM 0 HA THR A 81 4.389 6.041 4.355 1.00 0.00 H new ATOM 0 HB THR A 81 6.283 7.404 4.699 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.906 7.776 1.816 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.125 6.369 3.426 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.947 5.131 3.923 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.962 5.722 2.245 1.00 0.00 H new ATOM 1137 N SER A 82 3.451 8.374 2.312 1.00 0.00 N ATOM 1138 CA SER A 82 2.531 9.489 2.161 1.00 0.00 C ATOM 1139 C SER A 82 1.251 9.021 1.465 1.00 0.00 C ATOM 1140 O SER A 82 0.772 7.917 1.717 1.00 0.00 O ATOM 1141 CB SER A 82 3.176 10.632 1.375 1.00 0.00 C ATOM 1142 OG SER A 82 2.426 11.839 1.477 1.00 0.00 O ATOM 0 H SER A 82 3.900 8.071 1.447 1.00 0.00 H new ATOM 0 HA SER A 82 2.281 9.863 3.154 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.187 10.801 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.264 10.347 0.327 1.00 0.00 H new ATOM 0 HG SER A 82 2.871 12.545 0.963 1.00 0.00 H new ATOM 1148 N SER A 83 0.735 9.885 0.604 1.00 0.00 N ATOM 1149 CA SER A 83 -0.480 9.574 -0.130 1.00 0.00 C ATOM 1150 C SER A 83 -1.622 9.287 0.846 1.00 0.00 C ATOM 1151 O SER A 83 -1.605 8.275 1.546 1.00 0.00 O ATOM 1152 CB SER A 83 -0.269 8.382 -1.066 1.00 0.00 C ATOM 1153 OG SER A 83 -1.465 8.025 -1.753 1.00 0.00 O ATOM 0 H SER A 83 1.136 10.800 0.398 1.00 0.00 H new ATOM 0 HA SER A 83 -0.741 10.438 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.508 8.624 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.087 7.528 -0.490 1.00 0.00 H new ATOM 0 HG SER A 83 -2.041 8.813 -1.838 1.00 0.00 H new ATOM 1159 N SER A 84 -2.588 10.194 0.862 1.00 0.00 N ATOM 1160 CA SER A 84 -3.735 10.050 1.741 1.00 0.00 C ATOM 1161 C SER A 84 -4.602 8.875 1.283 1.00 0.00 C ATOM 1162 O SER A 84 -5.541 8.486 1.974 1.00 0.00 O ATOM 1163 CB SER A 84 -4.564 11.336 1.780 1.00 0.00 C ATOM 1164 OG SER A 84 -4.125 12.222 2.807 1.00 0.00 O ATOM 0 H SER A 84 -2.599 11.031 0.280 1.00 0.00 H new ATOM 0 HA SER A 84 -3.370 9.853 2.749 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.499 11.839 0.815 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.613 11.087 1.940 1.00 0.00 H new ATOM 0 HG SER A 84 -4.677 13.032 2.799 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.254 8.343 0.120 1.00 0.00 N ATOM 1171 CA ARG A 85 -4.988 7.221 -0.439 1.00 0.00 C ATOM 1172 C ARG A 85 -4.105 6.443 -1.417 1.00 0.00 C ATOM 1173 O ARG A 85 -4.008 6.801 -2.590 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.249 7.693 -1.165 1.00 0.00 C ATOM 1175 CG ARG A 85 -7.447 6.807 -0.818 1.00 0.00 C ATOM 1176 CD ARG A 85 -8.742 7.621 -0.795 1.00 0.00 C ATOM 1177 NE ARG A 85 -9.273 7.767 -2.169 1.00 0.00 N ATOM 1178 CZ ARG A 85 -10.442 8.350 -2.465 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -11.210 8.846 -1.485 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -10.843 8.438 -3.740 1.00 0.00 N ATOM 0 H ARG A 85 -3.473 8.669 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.280 6.572 0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.465 8.726 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.080 7.677 -2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.532 6.002 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.289 6.340 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.480 7.128 -0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.556 8.604 -0.362 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.713 7.401 -2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.904 8.779 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.100 9.290 -1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.258 8.061 -4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.733 8.882 -3.965 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.484 5.394 -0.898 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.612 4.563 -1.712 1.00 0.00 C ATOM 1196 C LEU A 86 -3.455 3.532 -2.464 1.00 0.00 C ATOM 1197 O LEU A 86 -4.280 2.843 -1.865 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.507 3.946 -0.853 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.481 4.924 -0.275 1.00 0.00 C ATOM 1200 CD1 LEU A 86 0.031 4.441 1.083 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.660 5.170 -1.264 1.00 0.00 C ATOM 0 H LEU A 86 -3.567 5.100 0.075 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.101 5.166 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.973 3.409 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.977 3.207 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.976 5.881 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.759 5.153 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.804 4.359 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.504 3.466 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.375 5.868 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.161 4.227 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.258 5.590 -2.186 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.218 3.457 -3.766 1.00 0.00 N ATOM 1214 CA HIS A 87 -3.945 2.521 -4.606 1.00 0.00 C ATOM 1215 C HIS A 87 -2.967 1.523 -5.229 1.00 0.00 C ATOM 1216 O HIS A 87 -2.470 1.742 -6.333 1.00 0.00 O ATOM 1217 CB HIS A 87 -4.780 3.264 -5.651 1.00 0.00 C ATOM 1218 CG HIS A 87 -4.808 2.594 -7.004 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -4.216 3.146 -8.127 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -5.361 1.413 -7.402 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -4.411 2.326 -9.149 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -5.122 1.252 -8.698 1.00 0.00 N ATOM 0 H HIS A 87 -2.533 4.029 -4.259 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.650 1.954 -3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.802 3.360 -5.283 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.386 4.274 -5.765 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.902 0.725 -6.770 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.068 2.480 -10.161 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.420 0.457 -9.263 1.00 0.00 H new ATOM 1230 N MET A 88 -2.719 0.450 -4.493 1.00 0.00 N ATOM 1231 CA MET A 88 -1.808 -0.582 -4.959 1.00 0.00 C ATOM 1232 C MET A 88 -2.560 -1.670 -5.730 1.00 0.00 C ATOM 1233 O MET A 88 -3.688 -2.015 -5.381 1.00 0.00 O ATOM 1234 CB MET A 88 -1.090 -1.208 -3.762 1.00 0.00 C ATOM 1235 CG MET A 88 -0.654 -0.136 -2.763 1.00 0.00 C ATOM 1236 SD MET A 88 0.261 -0.884 -1.425 1.00 0.00 S ATOM 1237 CE MET A 88 -0.942 -0.748 -0.113 1.00 0.00 C ATOM 0 H MET A 88 -3.133 0.273 -3.578 1.00 0.00 H new ATOM 0 HA MET A 88 -1.082 -0.123 -5.630 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.751 -1.922 -3.270 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.219 -1.765 -4.107 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.037 0.610 -3.264 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.528 0.384 -2.371 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.929 -1.657 0.488 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.698 0.107 0.517 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.935 -0.611 -0.542 1.00 0.00 H new ATOM 1247 N MET A 89 -1.905 -2.180 -6.762 1.00 0.00 N ATOM 1248 CA MET A 89 -2.497 -3.221 -7.584 1.00 0.00 C ATOM 1249 C MET A 89 -1.538 -4.402 -7.749 1.00 0.00 C ATOM 1250 O MET A 89 -0.457 -4.254 -8.316 1.00 0.00 O ATOM 1251 CB MET A 89 -2.844 -2.649 -8.961 1.00 0.00 C ATOM 1252 CG MET A 89 -3.568 -1.308 -8.830 1.00 0.00 C ATOM 1253 SD MET A 89 -5.005 -1.488 -7.787 1.00 0.00 S ATOM 1254 CE MET A 89 -6.205 -2.010 -9.001 1.00 0.00 C ATOM 0 H MET A 89 -0.969 -1.891 -7.048 1.00 0.00 H new ATOM 0 HA MET A 89 -3.401 -3.578 -7.090 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.933 -2.519 -9.545 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.473 -3.355 -9.504 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.894 -0.562 -8.409 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.866 -0.949 -9.815 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.058 -1.332 -8.984 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.750 -1.996 -9.992 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.540 -3.021 -8.770 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.969 -5.548 -7.242 1.00 0.00 N ATOM 1265 CA VAL A 90 -1.162 -6.753 -7.326 1.00 0.00 C ATOM 1266 C VAL A 90 -1.699 -7.645 -8.447 1.00 0.00 C ATOM 1267 O VAL A 90 -2.868 -7.545 -8.818 1.00 0.00 O ATOM 1268 CB VAL A 90 -1.129 -7.456 -5.967 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.498 -6.558 -4.901 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.530 -7.904 -5.547 1.00 0.00 C ATOM 0 H VAL A 90 -2.866 -5.667 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.130 -6.505 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.508 -8.347 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.487 -7.081 -3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.523 -6.311 -5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.080 -5.641 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.478 -8.401 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.184 -7.035 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.928 -8.596 -6.289 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.821 -8.496 -8.956 1.00 0.00 N ATOM 1281 CA ARG A 91 -1.192 -9.404 -10.027 1.00 0.00 C ATOM 1282 C ARG A 91 -1.310 -10.833 -9.494 1.00 0.00 C ATOM 1283 O ARG A 91 -0.331 -11.404 -9.015 1.00 0.00 O ATOM 1284 CB ARG A 91 -0.163 -9.372 -11.159 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.426 -8.200 -12.106 1.00 0.00 C ATOM 1286 CD ARG A 91 0.322 -8.385 -13.428 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.381 -7.665 -14.513 1.00 0.00 N ATOM 1288 CZ ARG A 91 0.156 -7.405 -15.713 1.00 0.00 C ATOM 1289 NH1 ARG A 91 1.405 -7.804 -15.989 1.00 0.00 N ATOM 1290 NH2 ARG A 91 -0.557 -6.746 -16.637 1.00 0.00 N ATOM 0 H ARG A 91 0.147 -8.576 -8.646 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.155 -9.078 -10.419 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.840 -9.288 -10.741 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.200 -10.309 -11.715 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.496 -8.116 -12.298 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.113 -7.269 -11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.342 -8.011 -13.334 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.392 -9.445 -13.670 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.334 -7.347 -14.336 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.947 -8.306 -15.286 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.814 -7.606 -16.902 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.508 -6.443 -16.427 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.149 -6.548 -17.550 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.516 -11.371 -9.596 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.774 -12.723 -9.130 1.00 0.00 C ATOM 1306 C ARG A 92 -3.556 -13.508 -10.185 1.00 0.00 C ATOM 1307 O ARG A 92 -4.318 -12.928 -10.958 1.00 0.00 O ATOM 1308 CB ARG A 92 -3.567 -12.713 -7.821 1.00 0.00 C ATOM 1309 CG ARG A 92 -3.056 -13.791 -6.863 1.00 0.00 C ATOM 1310 CD ARG A 92 -3.984 -13.935 -5.655 1.00 0.00 C ATOM 1311 NE ARG A 92 -3.294 -14.668 -4.571 1.00 0.00 N ATOM 1312 CZ ARG A 92 -3.924 -15.296 -3.568 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -5.263 -15.282 -3.506 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -3.216 -15.936 -2.628 1.00 0.00 N ATOM 0 H ARG A 92 -3.326 -10.895 -9.994 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.811 -13.202 -8.955 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.485 -11.734 -7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.624 -12.879 -8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.985 -14.744 -7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.051 -13.536 -6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.290 -12.950 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.891 -14.466 -5.944 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.275 -14.697 -4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.802 -14.794 -4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.743 -15.760 -2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.197 -15.946 -2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.696 -16.414 -1.865 1.00 0.00 H new ATOM 1328 N MET A 93 -3.341 -14.815 -10.184 1.00 0.00 N ATOM 1329 CA MET A 93 -4.016 -15.686 -11.132 1.00 0.00 C ATOM 1330 C MET A 93 -5.279 -16.292 -10.516 1.00 0.00 C ATOM 1331 O MET A 93 -5.322 -16.559 -9.316 1.00 0.00 O ATOM 1332 CB MET A 93 -3.068 -16.807 -11.561 1.00 0.00 C ATOM 1333 CG MET A 93 -2.761 -16.723 -13.057 1.00 0.00 C ATOM 1334 SD MET A 93 -3.559 -18.067 -13.920 1.00 0.00 S ATOM 1335 CE MET A 93 -4.475 -17.148 -15.146 1.00 0.00 C ATOM 0 H MET A 93 -2.709 -15.293 -9.542 1.00 0.00 H new ATOM 0 HA MET A 93 -4.306 -15.093 -11.999 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.141 -16.742 -10.992 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.515 -17.774 -11.332 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.106 -15.769 -13.455 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.684 -16.765 -13.219 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.035 -17.839 -15.776 1.00 0.00 H new ATOM 0 HE2 MET A 93 -5.167 -16.468 -14.649 1.00 0.00 H new ATOM 0 HE3 MET A 93 -3.783 -16.575 -15.763 1.00 0.00 H new ATOM 1345 N GLY A 94 -6.275 -16.493 -11.366 1.00 0.00 N ATOM 1346 CA GLY A 94 -7.535 -17.063 -10.921 1.00 0.00 C ATOM 1347 C GLY A 94 -7.436 -18.585 -10.799 1.00 0.00 C ATOM 1348 O GLY A 94 -7.522 -19.298 -11.797 1.00 0.00 O ATOM 0 H GLY A 94 -6.235 -16.271 -12.361 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.812 -16.635 -9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.325 -16.802 -11.625 1.00 0.00 H new ATOM 1352 N SER A 95 -7.256 -19.037 -9.566 1.00 0.00 N ATOM 1353 CA SER A 95 -7.144 -20.461 -9.301 1.00 0.00 C ATOM 1354 C SER A 95 -7.372 -20.736 -7.813 1.00 0.00 C ATOM 1355 O SER A 95 -6.871 -20.006 -6.960 1.00 0.00 O ATOM 1356 CB SER A 95 -5.778 -20.996 -9.736 1.00 0.00 C ATOM 1357 OG SER A 95 -5.893 -22.189 -10.506 1.00 0.00 O ATOM 0 H SER A 95 -7.185 -18.442 -8.740 1.00 0.00 H new ATOM 0 HA SER A 95 -7.908 -20.978 -9.881 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.260 -20.236 -10.321 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.167 -21.191 -8.854 1.00 0.00 H new ATOM 0 HG SER A 95 -5.000 -22.498 -10.766 1.00 0.00 H new ATOM 1363 N GLY A 96 -8.130 -21.790 -7.549 1.00 0.00 N ATOM 1364 CA GLY A 96 -8.431 -22.170 -6.179 1.00 0.00 C ATOM 1365 C GLY A 96 -7.244 -22.890 -5.536 1.00 0.00 C ATOM 1366 O GLY A 96 -6.410 -23.464 -6.233 1.00 0.00 O ATOM 0 H GLY A 96 -8.545 -22.393 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.680 -21.282 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.307 -22.819 -6.162 1.00 0.00 H new ATOM 1370 N PRO A 97 -7.205 -22.833 -4.177 1.00 0.00 N ATOM 1371 CA PRO A 97 -6.134 -23.472 -3.432 1.00 0.00 C ATOM 1372 C PRO A 97 -6.320 -24.991 -3.398 1.00 0.00 C ATOM 1373 O PRO A 97 -7.372 -25.482 -2.994 1.00 0.00 O ATOM 1374 CB PRO A 97 -6.181 -22.837 -2.052 1.00 0.00 C ATOM 1375 CG PRO A 97 -7.559 -22.209 -1.929 1.00 0.00 C ATOM 1376 CD PRO A 97 -8.175 -22.162 -3.318 1.00 0.00 C ATOM 0 HA PRO A 97 -5.156 -23.324 -3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.021 -23.583 -1.273 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.398 -22.087 -1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.185 -22.792 -1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.485 -21.206 -1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.140 -22.668 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.346 -21.135 -3.641 1.00 0.00 H new ATOM 1384 N SER A 98 -5.281 -25.692 -3.828 1.00 0.00 N ATOM 1385 CA SER A 98 -5.317 -27.144 -3.852 1.00 0.00 C ATOM 1386 C SER A 98 -5.142 -27.695 -2.436 1.00 0.00 C ATOM 1387 O SER A 98 -4.483 -27.076 -1.602 1.00 0.00 O ATOM 1388 CB SER A 98 -4.236 -27.707 -4.778 1.00 0.00 C ATOM 1389 OG SER A 98 -4.419 -29.097 -5.029 1.00 0.00 O ATOM 0 H SER A 98 -4.409 -25.281 -4.162 1.00 0.00 H new ATOM 0 HA SER A 98 -6.287 -27.456 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.249 -27.163 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.255 -27.545 -4.331 1.00 0.00 H new ATOM 0 HG SER A 98 -3.710 -29.418 -5.625 1.00 0.00 H new ATOM 1395 N SER A 99 -5.743 -28.854 -2.207 1.00 0.00 N ATOM 1396 CA SER A 99 -5.662 -29.495 -0.906 1.00 0.00 C ATOM 1397 C SER A 99 -4.739 -30.713 -0.980 1.00 0.00 C ATOM 1398 O SER A 99 -3.715 -30.762 -0.301 1.00 0.00 O ATOM 1399 CB SER A 99 -7.048 -29.909 -0.409 1.00 0.00 C ATOM 1400 OG SER A 99 -7.704 -28.852 0.287 1.00 0.00 O ATOM 0 H SER A 99 -6.288 -29.365 -2.901 1.00 0.00 H new ATOM 0 HA SER A 99 -5.251 -28.778 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.659 -30.219 -1.257 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.954 -30.773 0.249 1.00 0.00 H new ATOM 0 HG SER A 99 -8.586 -29.156 0.587 1.00 0.00 H new ATOM 1406 N GLY A 100 -5.135 -31.666 -1.810 1.00 0.00 N ATOM 1407 CA GLY A 100 -4.356 -32.881 -1.981 1.00 0.00 C ATOM 1408 C GLY A 100 -2.877 -32.557 -2.199 1.00 0.00 C ATOM 1409 O GLY A 100 -2.099 -32.522 -1.246 1.00 0.00 O ATOM 0 H GLY A 100 -5.985 -31.622 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.467 -33.516 -1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.738 -33.445 -2.832 1.00 0.00 H new TER 1413 GLY A 100