USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 971 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 67 MET CE :methyl -142:sc= -2.05 (180deg=-3.34) USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= 0 X(o=-2.7,f=-3!) USER MOD Set 2.2: A 62 ASN : amide:sc= -2.71! K(o=-2.7!,f=-0.91) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0035 USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.1) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= -0.0106 (180deg=-0.214) USER MOD Single : A 31 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 33 THR OG1 : rot -53:sc= 0.802 USER MOD Single : A 34 THR OG1 : rot -96:sc= 0.515 USER MOD Single : A 36 CYS SG : rot 41:sc= 0.953 USER MOD Single : A 39 CYS SG : rot -25:sc= 0.00235 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc=-0.00344 (180deg=-0.178) USER MOD Single : A 43 SER OG : rot 76:sc= 1.07 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 135:sc= -1.01 (180deg=-3.3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.046 X(o=-0.046,f=0.0029) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0.119 (180deg=0.0501) USER MOD Single : A 65 MET CE :methyl 163:sc= -0.272 (180deg=-0.802) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -171:sc=-0.00274 (180deg=-0.104) USER MOD Single : A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.9) USER MOD Single : A 92 SER OG : rot -122:sc= 0.787 USER MOD Single : A 93 SER OG : rot 160:sc= 1.35 USER MOD Single : A 98 TYR OH : rot 30:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -136:sc= -0.245 (180deg=-1.7!) USER MOD Single : A 112 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0197) USER MOD Single : A 114 LYS NZ :NH3+ -161:sc= -0.0718 (180deg=-0.413) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.172 -5.630 15.168 1.00 0.00 N ATOM 2 CA ALA A 1 10.292 -5.182 16.574 1.00 0.00 C ATOM 3 C ALA A 1 10.204 -3.663 16.647 1.00 0.00 C ATOM 4 O ALA A 1 9.340 -3.110 17.332 1.00 0.00 O ATOM 5 CB ALA A 1 11.600 -5.675 17.180 1.00 0.00 C ATOM 0 H1 ALA A 1 10.233 -6.667 15.128 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.257 -5.322 14.782 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.942 -5.216 14.605 1.00 0.00 H new ATOM 0 HA ALA A 1 9.469 -5.606 17.150 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.672 -5.337 18.214 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.626 -6.764 17.152 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.439 -5.277 16.609 1.00 0.00 H new ATOM 11 N GLN A 2 11.087 -2.995 15.923 1.00 0.00 N ATOM 12 CA GLN A 2 11.051 -1.546 15.817 1.00 0.00 C ATOM 13 C GLN A 2 10.765 -1.154 14.374 1.00 0.00 C ATOM 14 O GLN A 2 10.579 -2.022 13.517 1.00 0.00 O ATOM 15 CB GLN A 2 12.376 -0.930 16.272 1.00 0.00 C ATOM 16 CG GLN A 2 13.571 -1.402 15.464 1.00 0.00 C ATOM 17 CD GLN A 2 14.822 -0.597 15.742 1.00 0.00 C ATOM 18 OE1 GLN A 2 15.600 -0.919 16.638 1.00 0.00 O ATOM 19 NE2 GLN A 2 15.030 0.453 14.966 1.00 0.00 N ATOM 0 H GLN A 2 11.841 -3.436 15.397 1.00 0.00 H new ATOM 0 HA GLN A 2 10.261 -1.167 16.466 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.306 0.156 16.202 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.539 -1.172 17.322 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.763 -2.452 15.687 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.333 -1.340 14.402 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.360 0.686 14.233 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.861 1.030 15.100 1.00 0.00 H new ATOM 28 N ALA A 3 10.732 0.140 14.103 1.00 0.00 N ATOM 29 CA ALA A 3 10.526 0.620 12.750 1.00 0.00 C ATOM 30 C ALA A 3 11.857 0.769 12.029 1.00 0.00 C ATOM 31 O ALA A 3 12.529 1.797 12.139 1.00 0.00 O ATOM 32 CB ALA A 3 9.768 1.939 12.757 1.00 0.00 C ATOM 0 H ALA A 3 10.845 0.875 14.802 1.00 0.00 H new ATOM 0 HA ALA A 3 9.925 -0.114 12.213 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.624 2.281 11.732 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.797 1.798 13.232 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.339 2.684 13.312 1.00 0.00 H new ATOM 38 N ASP A 4 12.253 -0.282 11.329 1.00 0.00 N ATOM 39 CA ASP A 4 13.472 -0.251 10.531 1.00 0.00 C ATOM 40 C ASP A 4 13.133 0.166 9.111 1.00 0.00 C ATOM 41 O ASP A 4 13.940 0.778 8.413 1.00 0.00 O ATOM 42 CB ASP A 4 14.165 -1.619 10.518 1.00 0.00 C ATOM 43 CG ASP A 4 14.653 -2.056 11.886 1.00 0.00 C ATOM 44 OD1 ASP A 4 15.728 -1.583 12.322 1.00 0.00 O ATOM 45 OD2 ASP A 4 13.984 -2.904 12.518 1.00 0.00 O ATOM 0 H ASP A 4 11.749 -1.168 11.296 1.00 0.00 H new ATOM 0 HA ASP A 4 14.157 0.469 10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.472 -2.366 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 4 15.011 -1.584 9.832 1.00 0.00 H new ATOM 50 N GLY A 5 11.924 -0.173 8.699 1.00 0.00 N ATOM 51 CA GLY A 5 11.447 0.206 7.394 1.00 0.00 C ATOM 52 C GLY A 5 10.081 0.842 7.468 1.00 0.00 C ATOM 53 O GLY A 5 9.815 1.649 8.362 1.00 0.00 O ATOM 0 H GLY A 5 11.259 -0.711 9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.150 0.903 6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.406 -0.673 6.751 1.00 0.00 H new ATOM 57 N ILE A 6 9.218 0.474 6.537 1.00 0.00 N ATOM 58 CA ILE A 6 7.858 0.989 6.506 1.00 0.00 C ATOM 59 C ILE A 6 6.986 0.225 7.496 1.00 0.00 C ATOM 60 O ILE A 6 6.790 -0.982 7.359 1.00 0.00 O ATOM 61 CB ILE A 6 7.245 0.886 5.090 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.143 1.593 4.070 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.844 1.485 5.073 1.00 0.00 C ATOM 64 CD1 ILE A 6 7.666 1.454 2.640 1.00 0.00 C ATOM 0 H ILE A 6 9.436 -0.183 5.788 1.00 0.00 H new ATOM 0 HA ILE A 6 7.896 2.042 6.786 1.00 0.00 H new ATOM 0 HB ILE A 6 7.173 -0.167 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.202 2.652 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.153 1.190 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.426 1.405 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.209 0.945 5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.894 2.535 5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.351 1.980 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.634 0.399 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.668 1.883 2.546 1.00 0.00 H new ATOM 76 N ALA A 7 6.498 0.926 8.507 1.00 0.00 N ATOM 77 CA ALA A 7 5.633 0.323 9.507 1.00 0.00 C ATOM 78 C ALA A 7 4.171 0.476 9.115 1.00 0.00 C ATOM 79 O ALA A 7 3.666 1.591 8.977 1.00 0.00 O ATOM 80 CB ALA A 7 5.884 0.952 10.867 1.00 0.00 C ATOM 0 H ALA A 7 6.688 1.917 8.657 1.00 0.00 H new ATOM 0 HA ALA A 7 5.863 -0.741 9.565 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.230 0.491 11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.924 0.795 11.154 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.679 2.021 10.817 1.00 0.00 H new ATOM 86 N PHE A 8 3.498 -0.646 8.928 1.00 0.00 N ATOM 87 CA PHE A 8 2.098 -0.641 8.552 1.00 0.00 C ATOM 88 C PHE A 8 1.214 -0.680 9.787 1.00 0.00 C ATOM 89 O PHE A 8 1.522 -1.366 10.761 1.00 0.00 O ATOM 90 CB PHE A 8 1.786 -1.837 7.653 1.00 0.00 C ATOM 91 CG PHE A 8 2.445 -1.768 6.309 1.00 0.00 C ATOM 92 CD1 PHE A 8 1.872 -1.038 5.282 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.635 -2.430 6.073 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.476 -0.969 4.044 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.245 -2.365 4.838 1.00 0.00 C ATOM 96 CZ PHE A 8 3.664 -1.635 3.820 1.00 0.00 C ATOM 0 H PHE A 8 3.903 -1.576 9.032 1.00 0.00 H new ATOM 0 HA PHE A 8 1.894 0.279 8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.102 -2.751 8.156 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.707 -1.905 7.516 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.942 -0.517 5.452 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.092 -3.005 6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.020 -0.395 3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.176 -2.885 4.667 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.138 -1.585 2.851 1.00 0.00 H new ATOM 106 N ARG A 9 0.118 0.057 9.746 1.00 0.00 N ATOM 107 CA ARG A 9 -0.828 0.068 10.845 1.00 0.00 C ATOM 108 C ARG A 9 -2.050 -0.769 10.479 1.00 0.00 C ATOM 109 O ARG A 9 -2.710 -0.526 9.464 1.00 0.00 O ATOM 110 CB ARG A 9 -1.214 1.509 11.212 1.00 0.00 C ATOM 111 CG ARG A 9 -1.856 2.294 10.077 1.00 0.00 C ATOM 112 CD ARG A 9 -1.924 3.780 10.387 1.00 0.00 C ATOM 113 NE ARG A 9 -0.600 4.408 10.399 1.00 0.00 N ATOM 114 CZ ARG A 9 -0.362 5.647 10.838 1.00 0.00 C ATOM 115 NH1 ARG A 9 -1.357 6.401 11.297 1.00 0.00 N ATOM 116 NH2 ARG A 9 0.875 6.131 10.807 1.00 0.00 N ATOM 0 H ARG A 9 -0.138 0.656 8.961 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.364 -0.375 11.726 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.903 1.484 12.056 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.321 2.038 11.545 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.287 2.140 9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.861 1.914 9.895 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.551 4.275 9.646 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.401 3.925 11.356 1.00 0.00 H new ATOM 0 HE ARG A 9 0.190 3.865 10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.308 6.034 11.315 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.169 7.346 11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.638 5.557 10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.061 7.077 11.141 1.00 0.00 H new ATOM 130 N GLU A 10 -2.319 -1.788 11.276 1.00 0.00 N ATOM 131 CA GLU A 10 -3.436 -2.676 11.011 1.00 0.00 C ATOM 132 C GLU A 10 -4.716 -2.146 11.640 1.00 0.00 C ATOM 133 O GLU A 10 -4.925 -2.255 12.849 1.00 0.00 O ATOM 134 CB GLU A 10 -3.151 -4.082 11.528 1.00 0.00 C ATOM 135 CG GLU A 10 -4.265 -5.064 11.212 1.00 0.00 C ATOM 136 CD GLU A 10 -4.104 -6.376 11.944 1.00 0.00 C ATOM 137 OE1 GLU A 10 -4.309 -6.400 13.174 1.00 0.00 O ATOM 138 OE2 GLU A 10 -3.785 -7.394 11.293 1.00 0.00 O ATOM 0 H GLU A 10 -1.780 -2.020 12.110 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.569 -2.720 9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.220 -4.443 11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.002 -4.044 12.607 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.224 -4.619 11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.287 -5.251 10.138 1.00 0.00 H new ATOM 145 N LEU A 11 -5.553 -1.552 10.814 1.00 0.00 N ATOM 146 CA LEU A 11 -6.855 -1.094 11.232 1.00 0.00 C ATOM 147 C LEU A 11 -7.917 -1.697 10.326 1.00 0.00 C ATOM 148 O LEU A 11 -7.597 -2.240 9.267 1.00 0.00 O ATOM 149 CB LEU A 11 -6.917 0.431 11.166 1.00 0.00 C ATOM 150 CG LEU A 11 -6.053 1.172 12.190 1.00 0.00 C ATOM 151 CD1 LEU A 11 -6.138 2.673 11.965 1.00 0.00 C ATOM 152 CD2 LEU A 11 -6.483 0.822 13.608 1.00 0.00 C ATOM 0 H LEU A 11 -5.345 -1.374 9.831 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.036 -1.408 12.260 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.616 0.746 10.167 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.953 0.741 11.299 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.017 0.858 12.059 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.519 3.187 12.700 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.784 2.911 10.962 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.173 2.999 12.071 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.857 1.359 14.321 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.525 1.107 13.753 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.375 -0.251 13.766 1.00 0.00 H new ATOM 164 N SER A 12 -9.167 -1.626 10.745 1.00 0.00 N ATOM 165 CA SER A 12 -10.269 -2.048 9.902 1.00 0.00 C ATOM 166 C SER A 12 -10.390 -1.098 8.713 1.00 0.00 C ATOM 167 O SER A 12 -9.974 0.061 8.804 1.00 0.00 O ATOM 168 CB SER A 12 -11.560 -2.053 10.716 1.00 0.00 C ATOM 169 OG SER A 12 -11.335 -2.599 12.003 1.00 0.00 O ATOM 0 H SER A 12 -9.444 -1.280 11.664 1.00 0.00 H new ATOM 0 HA SER A 12 -10.086 -3.056 9.530 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.942 -1.036 10.808 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.322 -2.634 10.196 1.00 0.00 H new ATOM 0 HG SER A 12 -12.172 -2.593 12.512 1.00 0.00 H new ATOM 175 N PHE A 13 -10.953 -1.578 7.608 1.00 0.00 N ATOM 176 CA PHE A 13 -11.094 -0.760 6.405 1.00 0.00 C ATOM 177 C PHE A 13 -11.813 0.566 6.710 1.00 0.00 C ATOM 178 O PHE A 13 -11.276 1.634 6.412 1.00 0.00 O ATOM 179 CB PHE A 13 -11.821 -1.536 5.297 1.00 0.00 C ATOM 180 CG PHE A 13 -11.985 -0.755 4.024 1.00 0.00 C ATOM 181 CD1 PHE A 13 -10.916 -0.587 3.158 1.00 0.00 C ATOM 182 CD2 PHE A 13 -13.206 -0.192 3.690 1.00 0.00 C ATOM 183 CE1 PHE A 13 -11.061 0.130 1.986 1.00 0.00 C ATOM 184 CE2 PHE A 13 -13.358 0.526 2.519 1.00 0.00 C ATOM 185 CZ PHE A 13 -12.284 0.687 1.667 1.00 0.00 C ATOM 0 H PHE A 13 -11.318 -2.526 7.519 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.092 -0.519 6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.269 -2.451 5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -12.805 -1.835 5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.958 -1.022 3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -14.050 -0.316 4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.220 0.255 1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.315 0.960 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.400 1.248 0.752 1.00 0.00 H new ATOM 195 N PRO A 14 -13.027 0.532 7.317 1.00 0.00 N ATOM 196 CA PRO A 14 -13.741 1.759 7.698 1.00 0.00 C ATOM 197 C PRO A 14 -12.944 2.620 8.681 1.00 0.00 C ATOM 198 O PRO A 14 -12.952 3.845 8.584 1.00 0.00 O ATOM 199 CB PRO A 14 -15.035 1.256 8.348 1.00 0.00 C ATOM 200 CG PRO A 14 -14.780 -0.174 8.680 1.00 0.00 C ATOM 201 CD PRO A 14 -13.809 -0.673 7.653 1.00 0.00 C ATOM 0 HA PRO A 14 -13.915 2.401 6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.274 1.831 9.243 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.881 1.357 7.668 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.370 -0.273 9.685 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.705 -0.751 8.655 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.176 -1.467 8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.319 -1.079 6.779 1.00 0.00 H new ATOM 209 N GLU A 15 -12.249 1.971 9.616 1.00 0.00 N ATOM 210 CA GLU A 15 -11.429 2.674 10.597 1.00 0.00 C ATOM 211 C GLU A 15 -10.343 3.492 9.916 1.00 0.00 C ATOM 212 O GLU A 15 -10.187 4.686 10.178 1.00 0.00 O ATOM 213 CB GLU A 15 -10.773 1.685 11.559 1.00 0.00 C ATOM 214 CG GLU A 15 -11.744 1.008 12.513 1.00 0.00 C ATOM 215 CD GLU A 15 -12.526 1.993 13.358 1.00 0.00 C ATOM 216 OE1 GLU A 15 -11.923 2.651 14.230 1.00 0.00 O ATOM 217 OE2 GLU A 15 -13.752 2.101 13.161 1.00 0.00 O ATOM 0 H GLU A 15 -12.239 0.956 9.713 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.087 3.343 11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.257 0.920 10.980 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.015 2.209 12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.441 0.396 11.940 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.191 0.334 13.168 1.00 0.00 H new ATOM 224 N ALA A 16 -9.596 2.842 9.038 1.00 0.00 N ATOM 225 CA ALA A 16 -8.490 3.491 8.362 1.00 0.00 C ATOM 226 C ALA A 16 -8.992 4.550 7.392 1.00 0.00 C ATOM 227 O ALA A 16 -8.357 5.588 7.213 1.00 0.00 O ATOM 228 CB ALA A 16 -7.636 2.469 7.638 1.00 0.00 C ATOM 0 H ALA A 16 -9.737 1.866 8.778 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.876 3.985 9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.811 2.974 7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.239 1.752 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.243 1.945 6.900 1.00 0.00 H new ATOM 234 N LEU A 17 -10.136 4.278 6.772 1.00 0.00 N ATOM 235 CA LEU A 17 -10.774 5.240 5.879 1.00 0.00 C ATOM 236 C LEU A 17 -11.173 6.477 6.669 1.00 0.00 C ATOM 237 O LEU A 17 -11.008 7.609 6.216 1.00 0.00 O ATOM 238 CB LEU A 17 -12.012 4.617 5.233 1.00 0.00 C ATOM 239 CG LEU A 17 -12.556 5.358 4.010 1.00 0.00 C ATOM 240 CD1 LEU A 17 -11.514 5.398 2.904 1.00 0.00 C ATOM 241 CD2 LEU A 17 -13.832 4.695 3.516 1.00 0.00 C ATOM 0 H LEU A 17 -10.641 3.398 6.872 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.071 5.520 5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.773 3.594 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.802 4.558 5.982 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.787 6.383 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.918 5.929 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.623 5.913 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.253 4.380 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.208 5.233 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.622 3.661 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.582 4.715 4.307 1.00 0.00 H new ATOM 253 N LYS A 18 -11.693 6.236 7.864 1.00 0.00 N ATOM 254 CA LYS A 18 -12.053 7.305 8.786 1.00 0.00 C ATOM 255 C LYS A 18 -10.822 8.136 9.145 1.00 0.00 C ATOM 256 O LYS A 18 -10.865 9.369 9.143 1.00 0.00 O ATOM 257 CB LYS A 18 -12.675 6.715 10.053 1.00 0.00 C ATOM 258 CG LYS A 18 -13.255 7.760 10.980 1.00 0.00 C ATOM 259 CD LYS A 18 -14.382 8.514 10.300 1.00 0.00 C ATOM 260 CE LYS A 18 -15.009 9.545 11.215 1.00 0.00 C ATOM 261 NZ LYS A 18 -16.132 10.249 10.542 1.00 0.00 N ATOM 0 H LYS A 18 -11.877 5.298 8.221 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.782 7.954 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.461 6.014 9.771 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.917 6.145 10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.626 7.283 11.887 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.475 8.458 11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.000 9.007 9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.145 7.808 9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.372 9.059 12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.254 10.269 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.793 10.613 11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.759 11.041 9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.631 9.586 9.915 1.00 0.00 H new ATOM 275 N ARG A 19 -9.729 7.451 9.450 1.00 0.00 N ATOM 276 CA ARG A 19 -8.455 8.107 9.710 1.00 0.00 C ATOM 277 C ARG A 19 -8.013 8.933 8.508 1.00 0.00 C ATOM 278 O ARG A 19 -7.543 10.054 8.663 1.00 0.00 O ATOM 279 CB ARG A 19 -7.388 7.073 10.070 1.00 0.00 C ATOM 280 CG ARG A 19 -7.559 6.498 11.465 1.00 0.00 C ATOM 281 CD ARG A 19 -7.317 7.556 12.530 1.00 0.00 C ATOM 282 NE ARG A 19 -7.805 7.132 13.839 1.00 0.00 N ATOM 283 CZ ARG A 19 -7.418 7.669 14.996 1.00 0.00 C ATOM 284 NH1 ARG A 19 -6.441 8.567 15.031 1.00 0.00 N ATOM 285 NH2 ARG A 19 -7.996 7.280 16.121 1.00 0.00 N ATOM 0 H ARG A 19 -9.699 6.434 9.524 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.586 8.783 10.555 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.418 6.261 9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.403 7.534 9.992 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.565 6.093 11.573 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.865 5.670 11.607 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.250 7.771 12.592 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.813 8.483 12.240 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.487 6.375 13.870 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.979 8.852 14.167 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.152 8.972 15.921 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.732 6.574 16.099 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.706 7.686 17.010 1.00 0.00 H new ATOM 299 N ALA A 20 -8.190 8.383 7.312 1.00 0.00 N ATOM 300 CA ALA A 20 -7.855 9.095 6.082 1.00 0.00 C ATOM 301 C ALA A 20 -8.691 10.366 5.942 1.00 0.00 C ATOM 302 O ALA A 20 -8.233 11.370 5.399 1.00 0.00 O ATOM 303 CB ALA A 20 -8.046 8.191 4.870 1.00 0.00 C ATOM 0 H ALA A 20 -8.564 7.445 7.167 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.805 9.385 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.791 8.740 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.398 7.319 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.085 7.867 4.818 1.00 0.00 H new ATOM 309 N GLU A 21 -9.921 10.314 6.438 1.00 0.00 N ATOM 310 CA GLU A 21 -10.808 11.468 6.427 1.00 0.00 C ATOM 311 C GLU A 21 -10.292 12.562 7.364 1.00 0.00 C ATOM 312 O GLU A 21 -10.166 13.723 6.968 1.00 0.00 O ATOM 313 CB GLU A 21 -12.220 11.041 6.844 1.00 0.00 C ATOM 314 CG GLU A 21 -13.204 12.193 6.949 1.00 0.00 C ATOM 315 CD GLU A 21 -14.555 11.767 7.487 1.00 0.00 C ATOM 316 OE1 GLU A 21 -14.683 11.583 8.716 1.00 0.00 O ATOM 317 OE2 GLU A 21 -15.501 11.625 6.686 1.00 0.00 O ATOM 0 H GLU A 21 -10.328 9.477 6.856 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.837 11.872 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.598 10.317 6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.166 10.533 7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.786 12.963 7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.336 12.643 5.965 1.00 0.00 H new ATOM 324 N VAL A 22 -9.977 12.178 8.596 1.00 0.00 N ATOM 325 CA VAL A 22 -9.576 13.132 9.627 1.00 0.00 C ATOM 326 C VAL A 22 -8.159 13.657 9.392 1.00 0.00 C ATOM 327 O VAL A 22 -7.903 14.856 9.520 1.00 0.00 O ATOM 328 CB VAL A 22 -9.653 12.502 11.034 1.00 0.00 C ATOM 329 CG1 VAL A 22 -9.322 13.529 12.108 1.00 0.00 C ATOM 330 CG2 VAL A 22 -11.030 11.903 11.276 1.00 0.00 C ATOM 0 H VAL A 22 -9.991 11.207 8.908 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.275 13.966 9.566 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.913 11.703 11.088 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.383 13.061 13.090 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.313 13.909 11.949 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.033 14.354 12.054 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.066 11.463 12.273 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.786 12.684 11.197 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.227 11.131 10.532 1.00 0.00 H new ATOM 340 N GLU A 23 -7.246 12.757 9.041 1.00 0.00 N ATOM 341 CA GLU A 23 -5.850 13.127 8.829 1.00 0.00 C ATOM 342 C GLU A 23 -5.662 13.784 7.469 1.00 0.00 C ATOM 343 O GLU A 23 -4.645 14.434 7.227 1.00 0.00 O ATOM 344 CB GLU A 23 -4.935 11.909 8.959 1.00 0.00 C ATOM 345 CG GLU A 23 -4.950 11.279 10.342 1.00 0.00 C ATOM 346 CD GLU A 23 -3.978 10.126 10.463 1.00 0.00 C ATOM 347 OE1 GLU A 23 -2.756 10.374 10.474 1.00 0.00 O ATOM 348 OE2 GLU A 23 -4.431 8.964 10.554 1.00 0.00 O ATOM 0 H GLU A 23 -7.447 11.767 8.897 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.577 13.847 9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.234 11.161 8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.915 12.204 8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.704 12.037 11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.957 10.927 10.566 1.00 0.00 H new ATOM 355 N ASP A 24 -6.640 13.589 6.584 1.00 0.00 N ATOM 356 CA ASP A 24 -6.676 14.260 5.282 1.00 0.00 C ATOM 357 C ASP A 24 -5.539 13.777 4.375 1.00 0.00 C ATOM 358 O ASP A 24 -5.162 14.440 3.405 1.00 0.00 O ATOM 359 CB ASP A 24 -6.615 15.783 5.474 1.00 0.00 C ATOM 360 CG ASP A 24 -6.945 16.551 4.213 1.00 0.00 C ATOM 361 OD1 ASP A 24 -8.061 16.378 3.684 1.00 0.00 O ATOM 362 OD2 ASP A 24 -6.097 17.345 3.751 1.00 0.00 O ATOM 0 H ASP A 24 -7.428 12.963 6.748 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.615 14.006 4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.310 16.073 6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.617 16.061 5.812 1.00 0.00 H new ATOM 367 N LYS A 25 -5.013 12.603 4.678 1.00 0.00 N ATOM 368 CA LYS A 25 -3.939 12.028 3.888 1.00 0.00 C ATOM 369 C LYS A 25 -4.452 10.830 3.104 1.00 0.00 C ATOM 370 O LYS A 25 -5.531 10.309 3.391 1.00 0.00 O ATOM 371 CB LYS A 25 -2.770 11.617 4.785 1.00 0.00 C ATOM 372 CG LYS A 25 -2.163 12.778 5.550 1.00 0.00 C ATOM 373 CD LYS A 25 -1.071 12.314 6.494 1.00 0.00 C ATOM 374 CE LYS A 25 -0.451 13.480 7.245 1.00 0.00 C ATOM 375 NZ LYS A 25 -1.449 14.199 8.076 1.00 0.00 N ATOM 0 H LYS A 25 -5.313 12.029 5.466 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.582 12.782 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.113 10.863 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.998 11.151 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.753 13.503 4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.942 13.288 6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.484 11.600 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.299 11.792 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.355 13.114 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.005 14.174 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.958 14.838 8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.079 14.753 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.011 13.511 8.617 1.00 0.00 H new ATOM 389 N LEU A 26 -3.678 10.396 2.122 1.00 0.00 N ATOM 390 CA LEU A 26 -4.080 9.289 1.270 1.00 0.00 C ATOM 391 C LEU A 26 -3.945 7.969 2.007 1.00 0.00 C ATOM 392 O LEU A 26 -3.009 7.774 2.789 1.00 0.00 O ATOM 393 CB LEU A 26 -3.239 9.262 -0.006 1.00 0.00 C ATOM 394 CG LEU A 26 -3.344 10.515 -0.875 1.00 0.00 C ATOM 395 CD1 LEU A 26 -2.442 10.398 -2.090 1.00 0.00 C ATOM 396 CD2 LEU A 26 -4.787 10.752 -1.302 1.00 0.00 C ATOM 0 H LEU A 26 -2.767 10.794 1.895 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.126 9.433 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.194 9.115 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.537 8.399 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.016 11.370 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.530 11.299 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.408 10.279 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.739 9.532 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.841 11.648 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.143 9.895 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.411 10.882 -0.418 1.00 0.00 H new ATOM 408 N LEU A 27 -4.874 7.066 1.756 1.00 0.00 N ATOM 409 CA LEU A 27 -4.854 5.770 2.402 1.00 0.00 C ATOM 410 C LEU A 27 -4.063 4.784 1.554 1.00 0.00 C ATOM 411 O LEU A 27 -4.455 4.453 0.432 1.00 0.00 O ATOM 412 CB LEU A 27 -6.283 5.266 2.645 1.00 0.00 C ATOM 413 CG LEU A 27 -6.397 3.902 3.336 1.00 0.00 C ATOM 414 CD1 LEU A 27 -5.760 3.940 4.715 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.857 3.485 3.436 1.00 0.00 C ATOM 0 H LEU A 27 -5.651 7.207 1.110 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.366 5.863 3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.811 6.004 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.798 5.211 1.686 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.862 3.166 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.853 2.961 5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.705 4.199 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.264 4.687 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.925 2.515 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.408 4.226 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.285 3.415 2.436 1.00 0.00 H new ATOM 427 N PHE A 28 -2.937 4.341 2.087 1.00 0.00 N ATOM 428 CA PHE A 28 -2.083 3.391 1.399 1.00 0.00 C ATOM 429 C PHE A 28 -2.486 1.981 1.787 1.00 0.00 C ATOM 430 O PHE A 28 -2.229 1.540 2.903 1.00 0.00 O ATOM 431 CB PHE A 28 -0.615 3.647 1.756 1.00 0.00 C ATOM 432 CG PHE A 28 0.351 2.716 1.077 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.807 2.984 -0.202 1.00 0.00 C ATOM 434 CD2 PHE A 28 0.809 1.579 1.724 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.702 2.135 -0.824 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.701 0.727 1.106 1.00 0.00 C ATOM 437 CZ PHE A 28 2.151 1.006 -0.169 1.00 0.00 C ATOM 0 H PHE A 28 -2.592 4.628 3.003 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.199 3.511 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.361 4.674 1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.493 3.556 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.460 3.866 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.464 1.358 2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.050 2.355 -1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.047 -0.158 1.619 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.853 0.343 -0.653 1.00 0.00 H new ATOM 447 N VAL A 29 -3.139 1.288 0.878 1.00 0.00 N ATOM 448 CA VAL A 29 -3.639 -0.043 1.167 1.00 0.00 C ATOM 449 C VAL A 29 -2.629 -1.105 0.744 1.00 0.00 C ATOM 450 O VAL A 29 -2.380 -1.304 -0.447 1.00 0.00 O ATOM 451 CB VAL A 29 -4.990 -0.305 0.466 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.556 -1.653 0.881 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.982 0.808 0.776 1.00 0.00 C ATOM 0 H VAL A 29 -3.337 1.622 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.792 -0.103 2.245 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.818 -0.321 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.508 -1.819 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.856 -2.442 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.710 -1.666 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.927 0.604 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.148 0.858 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.582 1.760 0.426 1.00 0.00 H new ATOM 463 N ASP A 30 -2.037 -1.760 1.732 1.00 0.00 N ATOM 464 CA ASP A 30 -1.108 -2.856 1.486 1.00 0.00 C ATOM 465 C ASP A 30 -1.856 -4.178 1.459 1.00 0.00 C ATOM 466 O ASP A 30 -2.341 -4.652 2.491 1.00 0.00 O ATOM 467 CB ASP A 30 -0.013 -2.896 2.561 1.00 0.00 C ATOM 468 CG ASP A 30 0.866 -4.136 2.475 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.383 -4.437 1.377 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.047 -4.814 3.513 1.00 0.00 O ATOM 0 H ASP A 30 -2.184 -1.550 2.719 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.635 -2.692 0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.612 -2.008 2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.478 -2.856 3.546 1.00 0.00 H new ATOM 475 N CYS A 31 -1.987 -4.741 0.272 1.00 0.00 N ATOM 476 CA CYS A 31 -2.618 -6.036 0.108 1.00 0.00 C ATOM 477 C CYS A 31 -1.616 -7.040 -0.436 1.00 0.00 C ATOM 478 O CYS A 31 -1.148 -6.925 -1.571 1.00 0.00 O ATOM 479 CB CYS A 31 -3.821 -5.935 -0.830 1.00 0.00 C ATOM 480 SG CYS A 31 -5.152 -4.884 -0.212 1.00 0.00 S ATOM 0 H CYS A 31 -1.662 -4.318 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.968 -6.375 1.083 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.486 -5.550 -1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.215 -6.936 -1.007 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.123 -4.860 -1.076 1.00 0.00 H new ATOM 486 N PHE A 32 -1.287 -8.022 0.379 1.00 0.00 N ATOM 487 CA PHE A 32 -0.355 -9.057 -0.020 1.00 0.00 C ATOM 488 C PHE A 32 -0.943 -10.428 0.269 1.00 0.00 C ATOM 489 O PHE A 32 -1.817 -10.575 1.131 1.00 0.00 O ATOM 490 CB PHE A 32 0.988 -8.888 0.708 1.00 0.00 C ATOM 491 CG PHE A 32 0.914 -9.103 2.197 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.440 -8.105 3.036 1.00 0.00 C ATOM 493 CD2 PHE A 32 1.325 -10.302 2.760 1.00 0.00 C ATOM 494 CE1 PHE A 32 0.375 -8.301 4.401 1.00 0.00 C ATOM 495 CE2 PHE A 32 1.261 -10.504 4.125 1.00 0.00 C ATOM 496 CZ PHE A 32 0.785 -9.502 4.947 1.00 0.00 C ATOM 0 H PHE A 32 -1.653 -8.125 1.325 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.177 -8.968 -1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.708 -9.589 0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.369 -7.885 0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.118 -7.163 2.616 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.700 -11.089 2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.004 -7.515 5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.583 -11.444 4.548 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.733 -9.657 6.015 1.00 0.00 H new ATOM 506 N THR A 33 -0.480 -11.424 -0.460 1.00 0.00 N ATOM 507 CA THR A 33 -0.913 -12.786 -0.230 1.00 0.00 C ATOM 508 C THR A 33 0.157 -13.531 0.565 1.00 0.00 C ATOM 509 O THR A 33 1.321 -13.122 0.568 1.00 0.00 O ATOM 510 CB THR A 33 -1.181 -13.510 -1.561 1.00 0.00 C ATOM 511 OG1 THR A 33 -1.568 -12.554 -2.558 1.00 0.00 O ATOM 512 CG2 THR A 33 -2.290 -14.536 -1.398 1.00 0.00 C ATOM 0 H THR A 33 0.196 -11.315 -1.216 1.00 0.00 H new ATOM 0 HA THR A 33 -1.844 -12.766 0.337 1.00 0.00 H new ATOM 0 HB THR A 33 -0.268 -14.021 -1.868 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.319 -12.020 -2.225 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.465 -15.037 -2.350 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.998 -15.272 -0.649 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.204 -14.036 -1.078 1.00 0.00 H new ATOM 520 N THR A 34 -0.241 -14.603 1.246 1.00 0.00 N ATOM 521 CA THR A 34 0.671 -15.361 2.099 1.00 0.00 C ATOM 522 C THR A 34 1.893 -15.887 1.338 1.00 0.00 C ATOM 523 O THR A 34 2.962 -16.065 1.921 1.00 0.00 O ATOM 524 CB THR A 34 -0.063 -16.532 2.778 1.00 0.00 C ATOM 525 OG1 THR A 34 -1.017 -17.102 1.865 1.00 0.00 O ATOM 526 CG2 THR A 34 -0.765 -16.070 4.048 1.00 0.00 C ATOM 0 H THR A 34 -1.193 -14.968 1.223 1.00 0.00 H new ATOM 0 HA THR A 34 1.032 -14.667 2.858 1.00 0.00 H new ATOM 0 HB THR A 34 0.672 -17.289 3.052 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.901 -16.714 2.032 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.276 -16.915 4.509 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.030 -15.667 4.744 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.493 -15.297 3.801 1.00 0.00 H new ATOM 534 N TRP A 35 1.739 -16.133 0.039 1.00 0.00 N ATOM 535 CA TRP A 35 2.867 -16.537 -0.791 1.00 0.00 C ATOM 536 C TRP A 35 3.851 -15.379 -0.931 1.00 0.00 C ATOM 537 O TRP A 35 3.614 -14.432 -1.687 1.00 0.00 O ATOM 538 CB TRP A 35 2.401 -16.993 -2.175 1.00 0.00 C ATOM 539 CG TRP A 35 1.563 -18.231 -2.155 1.00 0.00 C ATOM 540 CD1 TRP A 35 1.999 -19.511 -1.976 1.00 0.00 C ATOM 541 CD2 TRP A 35 0.146 -18.313 -2.340 1.00 0.00 C ATOM 542 NE1 TRP A 35 0.940 -20.381 -2.031 1.00 0.00 N ATOM 543 CE2 TRP A 35 -0.208 -19.669 -2.258 1.00 0.00 C ATOM 544 CE3 TRP A 35 -0.856 -17.368 -2.567 1.00 0.00 C ATOM 545 CZ2 TRP A 35 -1.522 -20.103 -2.395 1.00 0.00 C ATOM 546 CZ3 TRP A 35 -2.161 -17.801 -2.702 1.00 0.00 C ATOM 547 CH2 TRP A 35 -2.484 -19.157 -2.617 1.00 0.00 C ATOM 0 H TRP A 35 0.851 -16.060 -0.457 1.00 0.00 H new ATOM 0 HA TRP A 35 3.361 -17.378 -0.304 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.831 -16.188 -2.639 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.275 -17.168 -2.802 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.028 -19.798 -1.815 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.998 -21.393 -1.921 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.615 -16.317 -2.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.774 -21.151 -2.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.945 -17.079 -2.876 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.513 -19.464 -2.729 1.00 0.00 H new ATOM 558 N CYS A 36 4.942 -15.450 -0.190 1.00 0.00 N ATOM 559 CA CYS A 36 5.916 -14.377 -0.167 1.00 0.00 C ATOM 560 C CYS A 36 6.986 -14.592 -1.231 1.00 0.00 C ATOM 561 O CYS A 36 7.796 -15.519 -1.141 1.00 0.00 O ATOM 562 CB CYS A 36 6.549 -14.282 1.220 1.00 0.00 C ATOM 563 SG CYS A 36 5.349 -14.095 2.560 1.00 0.00 S ATOM 0 H CYS A 36 5.175 -16.244 0.406 1.00 0.00 H new ATOM 0 HA CYS A 36 5.407 -13.439 -0.389 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.143 -15.178 1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.235 -13.435 1.239 1.00 0.00 H new ATOM 0 HG CYS A 36 4.328 -14.868 2.339 1.00 0.00 H new ATOM 569 N GLY A 37 6.965 -13.745 -2.246 1.00 0.00 N ATOM 570 CA GLY A 37 7.955 -13.818 -3.299 1.00 0.00 C ATOM 571 C GLY A 37 8.583 -12.465 -3.574 1.00 0.00 C ATOM 572 O GLY A 37 9.528 -12.069 -2.887 1.00 0.00 O ATOM 0 H GLY A 37 6.275 -13.003 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.732 -14.530 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.490 -14.195 -4.210 1.00 0.00 H new ATOM 576 N PRO A 38 8.063 -11.718 -4.563 1.00 0.00 N ATOM 577 CA PRO A 38 8.553 -10.373 -4.892 1.00 0.00 C ATOM 578 C PRO A 38 8.475 -9.414 -3.702 1.00 0.00 C ATOM 579 O PRO A 38 9.275 -8.483 -3.588 1.00 0.00 O ATOM 580 CB PRO A 38 7.625 -9.907 -6.023 1.00 0.00 C ATOM 581 CG PRO A 38 6.456 -10.832 -5.991 1.00 0.00 C ATOM 582 CD PRO A 38 6.967 -12.133 -5.451 1.00 0.00 C ATOM 0 HA PRO A 38 9.606 -10.388 -5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.311 -8.874 -5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.131 -9.949 -6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.662 -10.434 -5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.036 -10.963 -6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.193 -12.676 -4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.319 -12.789 -6.247 1.00 0.00 H new ATOM 590 N CYS A 39 7.522 -9.657 -2.805 1.00 0.00 N ATOM 591 CA CYS A 39 7.360 -8.829 -1.615 1.00 0.00 C ATOM 592 C CYS A 39 8.584 -8.953 -0.703 1.00 0.00 C ATOM 593 O CYS A 39 8.918 -8.023 0.034 1.00 0.00 O ATOM 594 CB CYS A 39 6.087 -9.222 -0.860 1.00 0.00 C ATOM 595 SG CYS A 39 5.696 -8.157 0.547 1.00 0.00 S ATOM 0 H CYS A 39 6.851 -10.421 -2.881 1.00 0.00 H new ATOM 0 HA CYS A 39 7.269 -7.789 -1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.248 -9.208 -1.555 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.191 -10.248 -0.506 1.00 0.00 H new ATOM 0 HG CYS A 39 6.785 -7.597 0.983 1.00 0.00 H new ATOM 601 N LYS A 40 9.268 -10.096 -0.773 1.00 0.00 N ATOM 602 CA LYS A 40 10.481 -10.302 0.011 1.00 0.00 C ATOM 603 C LYS A 40 11.601 -9.430 -0.530 1.00 0.00 C ATOM 604 O LYS A 40 12.345 -8.821 0.233 1.00 0.00 O ATOM 605 CB LYS A 40 10.914 -11.767 -0.013 1.00 0.00 C ATOM 606 CG LYS A 40 9.885 -12.723 0.563 1.00 0.00 C ATOM 607 CD LYS A 40 10.387 -14.156 0.539 1.00 0.00 C ATOM 608 CE LYS A 40 11.548 -14.367 1.499 1.00 0.00 C ATOM 609 NZ LYS A 40 11.125 -14.220 2.916 1.00 0.00 N ATOM 0 H LYS A 40 9.003 -10.886 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 40 10.266 -10.025 1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.127 -12.056 -1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.844 -11.870 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.651 -12.435 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.959 -12.650 -0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.572 -14.831 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.701 -14.414 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.970 -15.360 1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.337 -13.648 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.866 -14.597 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.971 -13.214 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.241 -14.746 3.071 1.00 0.00 H new ATOM 623 N ARG A 41 11.705 -9.368 -1.854 1.00 0.00 N ATOM 624 CA ARG A 41 12.687 -8.519 -2.509 1.00 0.00 C ATOM 625 C ARG A 41 12.446 -7.062 -2.123 1.00 0.00 C ATOM 626 O ARG A 41 13.375 -6.329 -1.786 1.00 0.00 O ATOM 627 CB ARG A 41 12.591 -8.668 -4.029 1.00 0.00 C ATOM 628 CG ARG A 41 12.802 -10.087 -4.549 1.00 0.00 C ATOM 629 CD ARG A 41 14.193 -10.617 -4.230 1.00 0.00 C ATOM 630 NE ARG A 41 14.221 -11.401 -2.995 1.00 0.00 N ATOM 631 CZ ARG A 41 15.209 -11.354 -2.105 1.00 0.00 C ATOM 632 NH1 ARG A 41 16.227 -10.515 -2.276 1.00 0.00 N ATOM 633 NH2 ARG A 41 15.172 -12.155 -1.048 1.00 0.00 N ATOM 0 H ARG A 41 11.116 -9.900 -2.495 1.00 0.00 H new ATOM 0 HA ARG A 41 13.683 -8.823 -2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.610 -8.320 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.330 -8.013 -4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.054 -10.748 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.648 -10.103 -5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.542 -11.235 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.886 -9.781 -4.142 1.00 0.00 H new ATOM 0 HE ARG A 41 13.435 -12.022 -2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.253 -9.904 -3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.982 -10.483 -1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.391 -12.799 -0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.925 -12.127 -0.360 1.00 0.00 H new ATOM 647 N LEU A 42 11.178 -6.667 -2.174 1.00 0.00 N ATOM 648 CA LEU A 42 10.762 -5.319 -1.803 1.00 0.00 C ATOM 649 C LEU A 42 11.187 -4.991 -0.373 1.00 0.00 C ATOM 650 O LEU A 42 11.828 -3.971 -0.118 1.00 0.00 O ATOM 651 CB LEU A 42 9.238 -5.202 -1.933 1.00 0.00 C ATOM 652 CG LEU A 42 8.650 -3.833 -1.586 1.00 0.00 C ATOM 653 CD1 LEU A 42 9.055 -2.800 -2.622 1.00 0.00 C ATOM 654 CD2 LEU A 42 7.134 -3.916 -1.474 1.00 0.00 C ATOM 0 H LEU A 42 10.412 -7.270 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 42 11.245 -4.608 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.958 -5.449 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.777 -5.950 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 42 9.048 -3.522 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.627 -1.833 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.142 -2.720 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.687 -3.104 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.733 -2.933 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.717 -4.250 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.865 -4.625 -0.691 1.00 0.00 H new ATOM 666 N SER A 43 10.835 -5.873 0.551 1.00 0.00 N ATOM 667 CA SER A 43 11.124 -5.666 1.963 1.00 0.00 C ATOM 668 C SER A 43 12.627 -5.702 2.236 1.00 0.00 C ATOM 669 O SER A 43 13.124 -5.012 3.128 1.00 0.00 O ATOM 670 CB SER A 43 10.403 -6.728 2.797 1.00 0.00 C ATOM 671 OG SER A 43 9.011 -6.736 2.512 1.00 0.00 O ATOM 0 H SER A 43 10.346 -6.744 0.347 1.00 0.00 H new ATOM 0 HA SER A 43 10.763 -4.677 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.827 -7.710 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.560 -6.532 3.858 1.00 0.00 H new ATOM 0 HG SER A 43 8.857 -7.171 1.647 1.00 0.00 H new ATOM 677 N LYS A 44 13.347 -6.485 1.450 1.00 0.00 N ATOM 678 CA LYS A 44 14.778 -6.664 1.642 1.00 0.00 C ATOM 679 C LYS A 44 15.546 -5.370 1.372 1.00 0.00 C ATOM 680 O LYS A 44 16.526 -5.065 2.052 1.00 0.00 O ATOM 681 CB LYS A 44 15.286 -7.771 0.715 1.00 0.00 C ATOM 682 CG LYS A 44 16.721 -8.188 0.976 1.00 0.00 C ATOM 683 CD LYS A 44 16.869 -8.844 2.337 1.00 0.00 C ATOM 684 CE LYS A 44 18.295 -9.296 2.588 1.00 0.00 C ATOM 685 NZ LYS A 44 18.431 -9.981 3.897 1.00 0.00 N ATOM 0 H LYS A 44 12.961 -7.011 0.666 1.00 0.00 H new ATOM 0 HA LYS A 44 14.948 -6.944 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.641 -8.643 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.199 -7.433 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.047 -8.880 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.371 -7.315 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.567 -8.142 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.198 -9.701 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.609 -9.969 1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.961 -8.434 2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.419 -10.276 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.155 -9.330 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.814 -10.818 3.916 1.00 0.00 H new ATOM 699 N VAL A 45 15.092 -4.610 0.386 1.00 0.00 N ATOM 700 CA VAL A 45 15.820 -3.427 -0.054 1.00 0.00 C ATOM 701 C VAL A 45 15.163 -2.129 0.413 1.00 0.00 C ATOM 702 O VAL A 45 15.832 -1.217 0.904 1.00 0.00 O ATOM 703 CB VAL A 45 15.967 -3.422 -1.593 1.00 0.00 C ATOM 704 CG1 VAL A 45 14.627 -3.290 -2.304 1.00 0.00 C ATOM 705 CG2 VAL A 45 16.935 -2.338 -2.042 1.00 0.00 C ATOM 0 H VAL A 45 14.227 -4.790 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 45 16.807 -3.475 0.405 1.00 0.00 H new ATOM 0 HB VAL A 45 16.379 -4.390 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 45 14.786 -3.292 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.986 -4.128 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 45 14.149 -2.356 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 45 17.022 -2.355 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.564 -1.364 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 45 17.914 -2.517 -1.597 1.00 0.00 H new ATOM 715 N VAL A 46 13.857 -2.054 0.258 1.00 0.00 N ATOM 716 CA VAL A 46 13.111 -0.835 0.561 1.00 0.00 C ATOM 717 C VAL A 46 12.864 -0.671 2.058 1.00 0.00 C ATOM 718 O VAL A 46 13.043 0.416 2.608 1.00 0.00 O ATOM 719 CB VAL A 46 11.758 -0.803 -0.181 1.00 0.00 C ATOM 720 CG1 VAL A 46 11.004 0.486 0.114 1.00 0.00 C ATOM 721 CG2 VAL A 46 11.966 -0.963 -1.676 1.00 0.00 C ATOM 0 H VAL A 46 13.281 -2.825 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 46 13.730 -0.006 0.217 1.00 0.00 H new ATOM 0 HB VAL A 46 11.157 -1.638 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.054 0.483 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.817 0.561 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.600 1.339 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.001 -0.938 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.591 -0.150 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.456 -1.916 -1.875 1.00 0.00 H new ATOM 731 N PHE A 47 12.491 -1.758 2.719 1.00 0.00 N ATOM 732 CA PHE A 47 12.052 -1.703 4.115 1.00 0.00 C ATOM 733 C PHE A 47 13.229 -1.640 5.092 1.00 0.00 C ATOM 734 O PHE A 47 13.194 -2.244 6.164 1.00 0.00 O ATOM 735 CB PHE A 47 11.162 -2.908 4.434 1.00 0.00 C ATOM 736 CG PHE A 47 9.792 -2.834 3.815 1.00 0.00 C ATOM 737 CD1 PHE A 47 9.635 -2.766 2.440 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.663 -2.838 4.613 1.00 0.00 C ATOM 739 CE1 PHE A 47 8.377 -2.704 1.874 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.403 -2.774 4.055 1.00 0.00 C ATOM 741 CZ PHE A 47 7.258 -2.706 2.682 1.00 0.00 C ATOM 0 H PHE A 47 12.482 -2.694 2.313 1.00 0.00 H new ATOM 0 HA PHE A 47 11.480 -0.784 4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.658 -3.815 4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.057 -2.994 5.516 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.507 -2.761 1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.769 -2.892 5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.269 -2.654 0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.530 -2.777 4.691 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.273 -2.655 2.243 1.00 0.00 H new ATOM 751 N LYS A 48 14.259 -0.896 4.721 1.00 0.00 N ATOM 752 CA LYS A 48 15.385 -0.644 5.614 1.00 0.00 C ATOM 753 C LYS A 48 15.766 0.837 5.593 1.00 0.00 C ATOM 754 O LYS A 48 16.555 1.303 6.418 1.00 0.00 O ATOM 755 CB LYS A 48 16.589 -1.488 5.202 1.00 0.00 C ATOM 756 CG LYS A 48 17.643 -1.609 6.295 1.00 0.00 C ATOM 757 CD LYS A 48 18.920 -2.283 5.809 1.00 0.00 C ATOM 758 CE LYS A 48 18.745 -3.780 5.569 1.00 0.00 C ATOM 759 NZ LYS A 48 17.983 -4.082 4.326 1.00 0.00 N ATOM 0 H LYS A 48 14.341 -0.454 3.805 1.00 0.00 H new ATOM 0 HA LYS A 48 15.085 -0.918 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.247 -2.485 4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.045 -1.049 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.883 -0.616 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.232 -2.178 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.247 -1.807 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.710 -2.128 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.726 -4.251 5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.229 -4.222 6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.461 -4.843 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.020 -4.385 4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.935 -3.229 3.732 1.00 0.00 H new ATOM 773 N ASP A 49 15.195 1.570 4.649 1.00 0.00 N ATOM 774 CA ASP A 49 15.543 2.974 4.451 1.00 0.00 C ATOM 775 C ASP A 49 14.728 3.873 5.376 1.00 0.00 C ATOM 776 O ASP A 49 13.509 3.726 5.487 1.00 0.00 O ATOM 777 CB ASP A 49 15.318 3.376 2.993 1.00 0.00 C ATOM 778 CG ASP A 49 15.882 4.746 2.680 1.00 0.00 C ATOM 779 OD1 ASP A 49 15.278 5.752 3.100 1.00 0.00 O ATOM 780 OD2 ASP A 49 16.937 4.820 2.010 1.00 0.00 O ATOM 0 H ASP A 49 14.487 1.217 4.005 1.00 0.00 H new ATOM 0 HA ASP A 49 16.598 3.100 4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.781 2.637 2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.250 3.368 2.777 1.00 0.00 H new ATOM 785 N SER A 50 15.412 4.785 6.049 1.00 0.00 N ATOM 786 CA SER A 50 14.774 5.697 6.988 1.00 0.00 C ATOM 787 C SER A 50 13.913 6.741 6.271 1.00 0.00 C ATOM 788 O SER A 50 12.717 6.865 6.541 1.00 0.00 O ATOM 789 CB SER A 50 15.842 6.389 7.840 1.00 0.00 C ATOM 790 OG SER A 50 15.260 7.162 8.876 1.00 0.00 O ATOM 0 H SER A 50 16.420 4.914 5.961 1.00 0.00 H new ATOM 0 HA SER A 50 14.114 5.113 7.629 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.505 5.640 8.272 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.455 7.030 7.207 1.00 0.00 H new ATOM 0 HG SER A 50 15.968 7.589 9.402 1.00 0.00 H new ATOM 796 N LEU A 51 14.521 7.473 5.344 1.00 0.00 N ATOM 797 CA LEU A 51 13.878 8.629 4.733 1.00 0.00 C ATOM 798 C LEU A 51 12.743 8.219 3.801 1.00 0.00 C ATOM 799 O LEU A 51 11.700 8.873 3.763 1.00 0.00 O ATOM 800 CB LEU A 51 14.898 9.500 3.990 1.00 0.00 C ATOM 801 CG LEU A 51 15.841 8.773 3.026 1.00 0.00 C ATOM 802 CD1 LEU A 51 16.107 9.635 1.804 1.00 0.00 C ATOM 803 CD2 LEU A 51 17.159 8.440 3.712 1.00 0.00 C ATOM 0 H LEU A 51 15.462 7.285 4.999 1.00 0.00 H new ATOM 0 HA LEU A 51 13.446 9.219 5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 51 14.354 10.259 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.503 10.024 4.730 1.00 0.00 H new ATOM 0 HG LEU A 51 15.362 7.845 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.778 9.108 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 51 15.166 9.843 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.567 10.573 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.814 7.924 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 51 17.638 9.360 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.970 7.797 4.571 1.00 0.00 H new ATOM 815 N VAL A 52 12.943 7.144 3.053 1.00 0.00 N ATOM 816 CA VAL A 52 11.897 6.637 2.170 1.00 0.00 C ATOM 817 C VAL A 52 10.685 6.191 2.986 1.00 0.00 C ATOM 818 O VAL A 52 9.545 6.532 2.663 1.00 0.00 O ATOM 819 CB VAL A 52 12.398 5.463 1.295 1.00 0.00 C ATOM 820 CG1 VAL A 52 11.265 4.859 0.474 1.00 0.00 C ATOM 821 CG2 VAL A 52 13.517 5.927 0.376 1.00 0.00 C ATOM 0 H VAL A 52 13.811 6.608 3.037 1.00 0.00 H new ATOM 0 HA VAL A 52 11.611 7.452 1.505 1.00 0.00 H new ATOM 0 HB VAL A 52 12.781 4.691 1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.651 4.037 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.490 4.485 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.843 5.622 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.859 5.090 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.149 6.721 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.347 6.303 0.974 1.00 0.00 H new ATOM 831 N ALA A 53 10.944 5.457 4.065 1.00 0.00 N ATOM 832 CA ALA A 53 9.878 4.977 4.933 1.00 0.00 C ATOM 833 C ALA A 53 9.141 6.140 5.581 1.00 0.00 C ATOM 834 O ALA A 53 7.910 6.171 5.598 1.00 0.00 O ATOM 835 CB ALA A 53 10.440 4.047 5.997 1.00 0.00 C ATOM 0 H ALA A 53 11.882 5.183 4.357 1.00 0.00 H new ATOM 0 HA ALA A 53 9.166 4.421 4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.631 3.697 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.919 3.193 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.173 4.584 6.599 1.00 0.00 H new ATOM 841 N ASP A 54 9.901 7.104 6.097 1.00 0.00 N ATOM 842 CA ASP A 54 9.322 8.278 6.748 1.00 0.00 C ATOM 843 C ASP A 54 8.432 9.046 5.778 1.00 0.00 C ATOM 844 O ASP A 54 7.324 9.450 6.130 1.00 0.00 O ATOM 845 CB ASP A 54 10.418 9.201 7.288 1.00 0.00 C ATOM 846 CG ASP A 54 9.850 10.417 7.996 1.00 0.00 C ATOM 847 OD1 ASP A 54 9.461 10.291 9.176 1.00 0.00 O ATOM 848 OD2 ASP A 54 9.780 11.500 7.377 1.00 0.00 O ATOM 0 H ASP A 54 10.921 7.095 6.077 1.00 0.00 H new ATOM 0 HA ASP A 54 8.716 7.930 7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.051 8.644 7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.054 9.527 6.465 1.00 0.00 H new ATOM 853 N TYR A 55 8.925 9.226 4.555 1.00 0.00 N ATOM 854 CA TYR A 55 8.187 9.929 3.510 1.00 0.00 C ATOM 855 C TYR A 55 6.814 9.298 3.289 1.00 0.00 C ATOM 856 O TYR A 55 5.793 9.994 3.295 1.00 0.00 O ATOM 857 CB TYR A 55 8.995 9.913 2.208 1.00 0.00 C ATOM 858 CG TYR A 55 8.280 10.527 1.024 1.00 0.00 C ATOM 859 CD1 TYR A 55 8.169 11.906 0.891 1.00 0.00 C ATOM 860 CD2 TYR A 55 7.725 9.726 0.031 1.00 0.00 C ATOM 861 CE1 TYR A 55 7.524 12.467 -0.195 1.00 0.00 C ATOM 862 CE2 TYR A 55 7.079 10.281 -1.056 1.00 0.00 C ATOM 863 CZ TYR A 55 6.981 11.651 -1.164 1.00 0.00 C ATOM 864 OH TYR A 55 6.341 12.208 -2.250 1.00 0.00 O ATOM 0 H TYR A 55 9.843 8.890 4.262 1.00 0.00 H new ATOM 0 HA TYR A 55 8.035 10.961 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.932 10.447 2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.253 8.882 1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.593 12.549 1.648 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.801 8.652 0.112 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.446 13.540 -0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.653 9.645 -1.817 1.00 0.00 H new ATOM 0 HH TYR A 55 6.017 11.495 -2.839 1.00 0.00 H new ATOM 874 N PHE A 56 6.792 7.983 3.112 1.00 0.00 N ATOM 875 CA PHE A 56 5.546 7.267 2.879 1.00 0.00 C ATOM 876 C PHE A 56 4.666 7.279 4.121 1.00 0.00 C ATOM 877 O PHE A 56 3.496 7.625 4.044 1.00 0.00 O ATOM 878 CB PHE A 56 5.820 5.825 2.442 1.00 0.00 C ATOM 879 CG PHE A 56 6.145 5.687 0.980 1.00 0.00 C ATOM 880 CD1 PHE A 56 7.445 5.819 0.525 1.00 0.00 C ATOM 881 CD2 PHE A 56 5.141 5.422 0.061 1.00 0.00 C ATOM 882 CE1 PHE A 56 7.739 5.692 -0.819 1.00 0.00 C ATOM 883 CE2 PHE A 56 5.429 5.292 -1.283 1.00 0.00 C ATOM 884 CZ PHE A 56 6.730 5.427 -1.724 1.00 0.00 C ATOM 0 H PHE A 56 7.623 7.392 3.125 1.00 0.00 H new ATOM 0 HA PHE A 56 5.016 7.780 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.649 5.428 3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.947 5.214 2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.239 6.024 1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.121 5.316 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.757 5.800 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.638 5.085 -1.988 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.958 5.326 -2.775 1.00 0.00 H new ATOM 894 N ASN A 57 5.244 6.934 5.267 1.00 0.00 N ATOM 895 CA ASN A 57 4.487 6.819 6.517 1.00 0.00 C ATOM 896 C ASN A 57 3.866 8.158 6.923 1.00 0.00 C ATOM 897 O ASN A 57 2.816 8.198 7.563 1.00 0.00 O ATOM 898 CB ASN A 57 5.390 6.293 7.640 1.00 0.00 C ATOM 899 CG ASN A 57 4.618 5.919 8.895 1.00 0.00 C ATOM 900 OD1 ASN A 57 3.452 5.522 8.830 1.00 0.00 O ATOM 901 ND2 ASN A 57 5.263 6.029 10.047 1.00 0.00 N ATOM 0 H ASN A 57 6.239 6.728 5.360 1.00 0.00 H new ATOM 0 HA ASN A 57 3.675 6.111 6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.935 5.420 7.282 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.131 7.052 7.889 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.795 5.782 10.919 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.227 6.361 10.062 1.00 0.00 H new ATOM 908 N ARG A 58 4.522 9.252 6.555 1.00 0.00 N ATOM 909 CA ARG A 58 4.033 10.579 6.905 1.00 0.00 C ATOM 910 C ARG A 58 2.931 11.044 5.954 1.00 0.00 C ATOM 911 O ARG A 58 1.904 11.548 6.395 1.00 0.00 O ATOM 912 CB ARG A 58 5.178 11.594 6.905 1.00 0.00 C ATOM 913 CG ARG A 58 4.723 13.010 7.216 1.00 0.00 C ATOM 914 CD ARG A 58 5.887 13.981 7.262 1.00 0.00 C ATOM 915 NE ARG A 58 5.435 15.354 7.465 1.00 0.00 N ATOM 916 CZ ARG A 58 6.099 16.267 8.165 1.00 0.00 C ATOM 917 NH1 ARG A 58 7.254 15.959 8.754 1.00 0.00 N ATOM 918 NH2 ARG A 58 5.603 17.491 8.280 1.00 0.00 N ATOM 0 H ARG A 58 5.389 9.247 6.017 1.00 0.00 H new ATOM 0 HA ARG A 58 3.611 10.513 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.924 11.290 7.639 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.666 11.582 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.008 13.336 6.460 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.202 13.022 8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.566 13.698 8.067 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.452 13.917 6.332 1.00 0.00 H new ATOM 0 HE ARG A 58 4.550 15.631 7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.634 15.016 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.758 16.666 9.290 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.717 17.726 7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.107 18.197 8.816 1.00 0.00 H new ATOM 932 N HIS A 59 3.145 10.875 4.654 1.00 0.00 N ATOM 933 CA HIS A 59 2.210 11.407 3.659 1.00 0.00 C ATOM 934 C HIS A 59 1.079 10.430 3.360 1.00 0.00 C ATOM 935 O HIS A 59 0.017 10.830 2.879 1.00 0.00 O ATOM 936 CB HIS A 59 2.939 11.774 2.363 1.00 0.00 C ATOM 937 CG HIS A 59 3.808 12.988 2.485 1.00 0.00 C ATOM 938 ND1 HIS A 59 3.378 14.260 2.174 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.093 13.115 2.885 1.00 0.00 C ATOM 940 CE1 HIS A 59 4.364 15.115 2.371 1.00 0.00 C ATOM 941 NE2 HIS A 59 5.414 14.445 2.804 1.00 0.00 N ATOM 0 H HIS A 59 3.947 10.380 4.264 1.00 0.00 H new ATOM 0 HA HIS A 59 1.771 12.308 4.087 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.552 10.929 2.049 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.203 11.942 1.577 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.745 12.317 3.208 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.319 16.181 2.206 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.319 14.851 3.041 1.00 0.00 H new ATOM 950 N PHE A 60 1.310 9.158 3.637 1.00 0.00 N ATOM 951 CA PHE A 60 0.317 8.127 3.390 1.00 0.00 C ATOM 952 C PHE A 60 0.108 7.301 4.649 1.00 0.00 C ATOM 953 O PHE A 60 1.070 6.904 5.308 1.00 0.00 O ATOM 954 CB PHE A 60 0.769 7.198 2.255 1.00 0.00 C ATOM 955 CG PHE A 60 1.219 7.906 1.006 1.00 0.00 C ATOM 956 CD1 PHE A 60 0.303 8.291 0.041 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.562 8.185 0.799 1.00 0.00 C ATOM 958 CE1 PHE A 60 0.719 8.937 -1.107 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.982 8.830 -0.346 1.00 0.00 C ATOM 960 CZ PHE A 60 2.059 9.208 -1.301 1.00 0.00 C ATOM 0 H PHE A 60 2.183 8.813 4.036 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.615 8.614 3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.586 6.574 2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.054 6.529 2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.747 8.084 0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.288 7.894 1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.004 9.230 -1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.031 9.039 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.384 9.714 -2.198 1.00 0.00 H new ATOM 970 N VAL A 61 -1.139 7.041 4.992 1.00 0.00 N ATOM 971 CA VAL A 61 -1.424 6.162 6.112 1.00 0.00 C ATOM 972 C VAL A 61 -1.376 4.709 5.650 1.00 0.00 C ATOM 973 O VAL A 61 -2.227 4.252 4.886 1.00 0.00 O ATOM 974 CB VAL A 61 -2.777 6.484 6.789 1.00 0.00 C ATOM 975 CG1 VAL A 61 -2.649 7.726 7.660 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.875 6.682 5.755 1.00 0.00 C ATOM 0 H VAL A 61 -1.961 7.419 4.520 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.656 6.327 6.868 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.050 5.635 7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.609 7.941 8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.898 7.554 8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.349 8.573 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.814 6.907 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.610 7.509 5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.989 5.772 5.166 1.00 0.00 H new ATOM 986 N ASN A 62 -0.355 3.997 6.107 1.00 0.00 N ATOM 987 CA ASN A 62 -0.076 2.645 5.633 1.00 0.00 C ATOM 988 C ASN A 62 -0.970 1.626 6.322 1.00 0.00 C ATOM 989 O ASN A 62 -0.749 1.273 7.477 1.00 0.00 O ATOM 990 CB ASN A 62 1.397 2.288 5.864 1.00 0.00 C ATOM 991 CG ASN A 62 2.345 3.144 5.040 1.00 0.00 C ATOM 992 OD1 ASN A 62 2.691 2.795 3.914 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.776 4.268 5.595 1.00 0.00 N ATOM 0 H ASN A 62 0.300 4.336 6.812 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.285 2.618 4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.634 2.406 6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.555 1.238 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.417 4.876 5.085 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.467 4.525 6.532 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.978 1.168 5.603 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.944 0.220 6.128 1.00 0.00 C ATOM 1002 C LEU A 63 -2.619 -1.195 5.664 1.00 0.00 C ATOM 1003 O LEU A 63 -2.452 -1.439 4.471 1.00 0.00 O ATOM 1004 CB LEU A 63 -4.352 0.603 5.663 1.00 0.00 C ATOM 1005 CG LEU A 63 -5.454 -0.393 6.029 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.613 -0.484 7.537 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.766 -0.002 5.363 1.00 0.00 C ATOM 0 H LEU A 63 -2.151 1.443 4.636 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.898 0.248 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.606 1.574 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.339 0.724 4.580 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.168 -1.379 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.401 -1.197 7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.675 -0.816 7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.877 0.496 7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.540 -0.721 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.062 0.992 5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.637 0.002 4.281 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.538 -2.119 6.609 1.00 0.00 N ATOM 1020 CA LYS A 64 -2.306 -3.519 6.284 1.00 0.00 C ATOM 1021 C LYS A 64 -3.632 -4.263 6.158 1.00 0.00 C ATOM 1022 O LYS A 64 -4.396 -4.359 7.123 1.00 0.00 O ATOM 1023 CB LYS A 64 -1.432 -4.186 7.351 1.00 0.00 C ATOM 1024 CG LYS A 64 -1.234 -5.679 7.127 1.00 0.00 C ATOM 1025 CD LYS A 64 -0.259 -6.270 8.131 1.00 0.00 C ATOM 1026 CE LYS A 64 -0.093 -7.770 7.938 1.00 0.00 C ATOM 1027 NZ LYS A 64 -1.322 -8.526 8.305 1.00 0.00 N ATOM 0 H LYS A 64 -2.629 -1.926 7.606 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.783 -3.563 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.458 -3.697 7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.885 -4.030 8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.194 -6.190 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.865 -5.850 6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.710 -5.781 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.612 -6.070 9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.160 -7.975 6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.742 -8.122 8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.116 -9.545 8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.637 -8.237 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.073 -8.324 7.614 1.00 0.00 H new ATOM 1041 N MET A 65 -3.905 -4.780 4.969 1.00 0.00 N ATOM 1042 CA MET A 65 -5.113 -5.554 4.728 1.00 0.00 C ATOM 1043 C MET A 65 -4.773 -6.892 4.093 1.00 0.00 C ATOM 1044 O MET A 65 -4.297 -6.955 2.958 1.00 0.00 O ATOM 1045 CB MET A 65 -6.096 -4.790 3.838 1.00 0.00 C ATOM 1046 CG MET A 65 -6.688 -3.556 4.498 1.00 0.00 C ATOM 1047 SD MET A 65 -7.973 -2.777 3.503 1.00 0.00 S ATOM 1048 CE MET A 65 -9.215 -4.067 3.495 1.00 0.00 C ATOM 0 H MET A 65 -3.303 -4.676 4.152 1.00 0.00 H new ATOM 0 HA MET A 65 -5.589 -5.728 5.693 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.586 -4.492 2.922 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.906 -5.460 3.548 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.103 -3.832 5.467 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.893 -2.834 4.686 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.174 -3.647 3.191 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.923 -4.849 2.794 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.306 -4.491 4.495 1.00 0.00 H new ATOM 1058 N ASP A 66 -5.006 -7.960 4.838 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.746 -9.306 4.354 1.00 0.00 C ATOM 1060 C ASP A 66 -5.721 -9.668 3.235 1.00 0.00 C ATOM 1061 O ASP A 66 -6.920 -9.406 3.337 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.871 -10.310 5.507 1.00 0.00 C ATOM 1063 CG ASP A 66 -3.893 -10.049 6.640 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -4.130 -9.114 7.436 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -2.890 -10.782 6.751 1.00 0.00 O ATOM 0 H ASP A 66 -5.377 -7.920 5.787 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.732 -9.345 3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.888 -10.278 5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.710 -11.317 5.122 1.00 0.00 H new ATOM 1070 N MET A 67 -5.209 -10.276 2.172 1.00 0.00 N ATOM 1071 CA MET A 67 -6.041 -10.672 1.031 1.00 0.00 C ATOM 1072 C MET A 67 -6.888 -11.889 1.367 1.00 0.00 C ATOM 1073 O MET A 67 -7.853 -12.205 0.675 1.00 0.00 O ATOM 1074 CB MET A 67 -5.174 -10.998 -0.181 1.00 0.00 C ATOM 1075 CG MET A 67 -4.611 -9.786 -0.894 1.00 0.00 C ATOM 1076 SD MET A 67 -3.618 -10.256 -2.322 1.00 0.00 S ATOM 1077 CE MET A 67 -3.371 -8.671 -3.109 1.00 0.00 C ATOM 0 H MET A 67 -4.221 -10.508 2.072 1.00 0.00 H new ATOM 0 HA MET A 67 -6.695 -9.831 0.800 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.347 -11.632 0.139 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.765 -11.579 -0.889 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.428 -9.140 -1.215 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.001 -9.207 -0.201 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.415 -8.791 -4.191 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.151 -7.980 -2.788 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.396 -8.273 -2.828 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.522 -12.559 2.442 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.157 -13.805 2.831 1.00 0.00 C ATOM 1089 C GLU A 68 -7.889 -13.615 4.147 1.00 0.00 C ATOM 1090 O GLU A 68 -7.965 -14.511 4.989 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.083 -14.883 2.933 1.00 0.00 C ATOM 1092 CG GLU A 68 -5.303 -15.023 1.638 1.00 0.00 C ATOM 1093 CD GLU A 68 -4.061 -15.873 1.775 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -4.182 -17.113 1.838 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -2.949 -15.297 1.818 1.00 0.00 O ATOM 0 H GLU A 68 -5.777 -12.257 3.070 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.893 -14.114 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.399 -14.639 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.547 -15.837 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.951 -15.459 0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.019 -14.032 1.285 1.00 0.00 H new ATOM 1102 N LYS A 69 -8.455 -12.430 4.281 1.00 0.00 N ATOM 1103 CA LYS A 69 -9.147 -12.023 5.490 1.00 0.00 C ATOM 1104 C LYS A 69 -10.661 -12.035 5.260 1.00 0.00 C ATOM 1105 O LYS A 69 -11.119 -12.365 4.164 1.00 0.00 O ATOM 1106 CB LYS A 69 -8.667 -10.620 5.886 1.00 0.00 C ATOM 1107 CG LYS A 69 -8.938 -10.246 7.332 1.00 0.00 C ATOM 1108 CD LYS A 69 -8.428 -8.849 7.651 1.00 0.00 C ATOM 1109 CE LYS A 69 -8.624 -8.506 9.119 1.00 0.00 C ATOM 1110 NZ LYS A 69 -8.104 -7.150 9.447 1.00 0.00 N ATOM 0 H LYS A 69 -8.448 -11.719 3.550 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.925 -12.720 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.595 -10.551 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.150 -9.888 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.009 -10.297 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.459 -10.969 7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.370 -8.780 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.951 -8.120 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.685 -8.557 9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.117 -9.248 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.257 -6.955 10.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.086 -7.108 9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.605 -6.439 8.877 1.00 0.00 H new ATOM 1124 N GLY A 70 -11.426 -11.675 6.292 1.00 0.00 N ATOM 1125 CA GLY A 70 -12.876 -11.627 6.188 1.00 0.00 C ATOM 1126 C GLY A 70 -13.360 -10.682 5.101 1.00 0.00 C ATOM 1127 O GLY A 70 -14.407 -10.913 4.496 1.00 0.00 O ATOM 0 H GLY A 70 -11.060 -11.413 7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.254 -12.629 5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.294 -11.316 7.145 1.00 0.00 H new ATOM 1131 N GLU A 71 -12.600 -9.617 4.856 1.00 0.00 N ATOM 1132 CA GLU A 71 -12.923 -8.673 3.788 1.00 0.00 C ATOM 1133 C GLU A 71 -11.945 -8.836 2.628 1.00 0.00 C ATOM 1134 O GLU A 71 -11.960 -8.061 1.672 1.00 0.00 O ATOM 1135 CB GLU A 71 -12.871 -7.221 4.285 1.00 0.00 C ATOM 1136 CG GLU A 71 -13.885 -6.873 5.369 1.00 0.00 C ATOM 1137 CD GLU A 71 -13.472 -7.339 6.751 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -12.644 -6.659 7.390 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -13.979 -8.385 7.209 1.00 0.00 O ATOM 0 H GLU A 71 -11.757 -9.386 5.382 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.938 -8.891 3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.870 -7.019 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.028 -6.556 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.031 -5.793 5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.846 -7.321 5.115 1.00 0.00 H new ATOM 1146 N GLY A 72 -11.108 -9.862 2.710 1.00 0.00 N ATOM 1147 CA GLY A 72 -10.029 -10.022 1.756 1.00 0.00 C ATOM 1148 C GLY A 72 -10.508 -10.345 0.358 1.00 0.00 C ATOM 1149 O GLY A 72 -10.046 -9.745 -0.616 1.00 0.00 O ATOM 0 H GLY A 72 -11.158 -10.589 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.440 -9.105 1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.366 -10.817 2.098 1.00 0.00 H new ATOM 1153 N VAL A 73 -11.438 -11.282 0.254 1.00 0.00 N ATOM 1154 CA VAL A 73 -11.910 -11.737 -1.047 1.00 0.00 C ATOM 1155 C VAL A 73 -12.719 -10.641 -1.746 1.00 0.00 C ATOM 1156 O VAL A 73 -12.826 -10.629 -2.975 1.00 0.00 O ATOM 1157 CB VAL A 73 -12.719 -13.054 -0.948 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -12.052 -14.004 0.036 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -14.170 -12.811 -0.564 1.00 0.00 C ATOM 0 H VAL A 73 -11.880 -11.741 1.050 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.030 -11.952 -1.653 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.727 -13.511 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.629 -14.927 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.041 -14.230 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -12.008 -13.537 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.696 -13.764 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.212 -12.315 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.644 -12.179 -1.315 1.00 0.00 H new ATOM 1169 N GLU A 74 -13.260 -9.702 -0.961 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.943 -8.543 -1.530 1.00 0.00 C ATOM 1171 C GLU A 74 -12.954 -7.688 -2.307 1.00 0.00 C ATOM 1172 O GLU A 74 -13.158 -7.409 -3.485 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.621 -7.681 -0.458 1.00 0.00 C ATOM 1174 CG GLU A 74 -16.040 -8.107 -0.119 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.102 -9.251 0.865 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -15.911 -10.412 0.455 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.360 -8.990 2.060 1.00 0.00 O ATOM 0 H GLU A 74 -13.237 -9.724 0.059 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.720 -8.923 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.019 -7.710 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.636 -6.645 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.580 -7.254 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.553 -8.397 -1.036 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.875 -7.287 -1.637 1.00 0.00 N ATOM 1185 CA LEU A 75 -10.826 -6.481 -2.254 1.00 0.00 C ATOM 1186 C LEU A 75 -10.232 -7.203 -3.462 1.00 0.00 C ATOM 1187 O LEU A 75 -9.887 -6.576 -4.466 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.726 -6.192 -1.226 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.021 -5.102 -0.179 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -9.913 -3.719 -0.795 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -11.393 -5.277 0.460 1.00 0.00 C ATOM 0 H LEU A 75 -11.705 -7.511 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.262 -5.541 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.503 -7.119 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.823 -5.908 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.271 -5.206 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.126 -2.965 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.905 -3.571 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.631 -3.626 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.557 -4.486 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.162 -5.224 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.442 -6.246 0.956 1.00 0.00 H new ATOM 1203 N ARG A 76 -10.131 -8.525 -3.352 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.629 -9.360 -4.438 1.00 0.00 C ATOM 1205 C ARG A 76 -10.466 -9.203 -5.700 1.00 0.00 C ATOM 1206 O ARG A 76 -9.923 -9.074 -6.796 1.00 0.00 O ATOM 1207 CB ARG A 76 -9.600 -10.827 -4.008 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.307 -11.225 -3.321 1.00 0.00 C ATOM 1209 CD ARG A 76 -8.429 -12.556 -2.596 1.00 0.00 C ATOM 1210 NE ARG A 76 -8.866 -13.634 -3.484 1.00 0.00 N ATOM 1211 CZ ARG A 76 -8.254 -14.817 -3.590 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -7.120 -15.049 -2.942 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -8.764 -15.754 -4.374 1.00 0.00 N ATOM 0 H ARG A 76 -10.393 -9.044 -2.514 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.615 -9.031 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.435 -11.018 -3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.747 -11.458 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.509 -11.288 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.022 -10.450 -2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.466 -12.818 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.138 -12.456 -1.774 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.692 -13.472 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.709 -14.321 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.659 -15.955 -3.028 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.622 -15.572 -4.895 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.299 -16.658 -4.457 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.781 -9.205 -5.540 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.688 -9.040 -6.666 1.00 0.00 C ATOM 1229 C LYS A 77 -12.739 -7.578 -7.100 1.00 0.00 C ATOM 1230 O LYS A 77 -12.736 -7.269 -8.292 1.00 0.00 O ATOM 1231 CB LYS A 77 -14.091 -9.518 -6.289 1.00 0.00 C ATOM 1232 CG LYS A 77 -15.106 -9.363 -7.409 1.00 0.00 C ATOM 1233 CD LYS A 77 -16.526 -9.555 -6.905 1.00 0.00 C ATOM 1234 CE LYS A 77 -17.541 -9.307 -8.006 1.00 0.00 C ATOM 1235 NZ LYS A 77 -18.931 -9.315 -7.488 1.00 0.00 N ATOM 0 H LYS A 77 -12.245 -9.319 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.318 -9.641 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -14.042 -10.567 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.435 -8.960 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.008 -8.373 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.896 -10.089 -8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.644 -10.568 -6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.714 -8.875 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.336 -8.347 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.436 -10.071 -8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.594 -9.142 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.136 -10.240 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.039 -8.569 -6.772 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.769 -6.689 -6.112 1.00 0.00 N ATOM 1250 CA LYS A 78 -12.897 -5.257 -6.345 1.00 0.00 C ATOM 1251 C LYS A 78 -11.781 -4.714 -7.231 1.00 0.00 C ATOM 1252 O LYS A 78 -12.039 -4.008 -8.207 1.00 0.00 O ATOM 1253 CB LYS A 78 -12.907 -4.505 -5.009 1.00 0.00 C ATOM 1254 CG LYS A 78 -14.249 -4.547 -4.300 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.243 -3.708 -3.032 1.00 0.00 C ATOM 1256 CE LYS A 78 -15.620 -3.659 -2.390 1.00 0.00 C ATOM 1257 NZ LYS A 78 -16.594 -2.876 -3.199 1.00 0.00 N ATOM 0 H LYS A 78 -12.705 -6.943 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.840 -5.099 -6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.146 -4.932 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.630 -3.465 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -15.027 -4.185 -4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.497 -5.579 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.525 -4.122 -2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.913 -2.696 -3.266 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.994 -4.675 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.539 -3.218 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.469 -2.741 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.185 -1.949 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.809 -3.390 -4.077 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.549 -5.051 -6.895 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.399 -4.525 -7.614 1.00 0.00 C ATOM 1273 C TYR A 79 -8.815 -5.578 -8.547 1.00 0.00 C ATOM 1274 O TYR A 79 -7.807 -5.340 -9.214 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.352 -4.024 -6.619 1.00 0.00 C ATOM 1276 CG TYR A 79 -8.873 -2.898 -5.755 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.587 -3.163 -4.594 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -8.665 -1.572 -6.106 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.086 -2.141 -3.813 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -9.158 -0.543 -5.328 1.00 0.00 C ATOM 1281 CZ TYR A 79 -9.864 -0.833 -4.181 1.00 0.00 C ATOM 1282 OH TYR A 79 -10.357 0.191 -3.403 1.00 0.00 O ATOM 0 H TYR A 79 -10.318 -5.685 -6.130 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.720 -3.686 -8.231 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.034 -4.850 -5.983 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.471 -3.684 -7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.755 -4.188 -4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.108 -1.341 -7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.647 -2.366 -2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.991 0.484 -5.617 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.772 0.973 -3.483 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.473 -6.737 -8.589 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.084 -7.810 -9.491 1.00 0.00 C ATOM 1294 C GLY A 80 -7.627 -8.190 -9.364 1.00 0.00 C ATOM 1295 O GLY A 80 -6.850 -8.020 -10.307 1.00 0.00 O ATOM 0 H GLY A 80 -10.281 -6.953 -8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.701 -8.686 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.286 -7.505 -10.518 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.246 -8.693 -8.202 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.866 -9.048 -7.963 1.00 0.00 C ATOM 1301 C VAL A 81 -5.560 -10.439 -8.508 1.00 0.00 C ATOM 1302 O VAL A 81 -6.408 -11.335 -8.480 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.517 -8.984 -6.464 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -5.829 -7.607 -5.898 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -6.243 -10.064 -5.683 1.00 0.00 C ATOM 0 H VAL A 81 -7.873 -8.862 -7.415 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.250 -8.319 -8.489 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.447 -9.163 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.575 -7.583 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.245 -6.855 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.891 -7.395 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.976 -9.992 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.319 -9.932 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.956 -11.044 -6.064 1.00 0.00 H new ATOM 1315 N HIS A 82 -4.361 -10.595 -9.038 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.903 -11.884 -9.537 1.00 0.00 C ATOM 1317 C HIS A 82 -2.464 -12.130 -9.119 1.00 0.00 C ATOM 1318 O HIS A 82 -2.006 -13.274 -9.077 1.00 0.00 O ATOM 1319 CB HIS A 82 -4.033 -11.972 -11.059 1.00 0.00 C ATOM 1320 CG HIS A 82 -5.426 -12.260 -11.522 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -6.058 -13.456 -11.280 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -6.309 -11.505 -12.215 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -7.268 -13.427 -11.803 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -7.450 -12.254 -12.380 1.00 0.00 N ATOM 0 H HIS A 82 -3.681 -9.841 -9.136 1.00 0.00 H new ATOM 0 HA HIS A 82 -4.538 -12.655 -9.101 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.699 -11.033 -11.499 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.367 -12.752 -11.428 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.147 -10.499 -12.573 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.990 -14.229 -11.765 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.295 -11.954 -12.866 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.756 -11.051 -8.819 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.413 -11.147 -8.284 1.00 0.00 C ATOM 1335 C ALA A 83 -0.479 -11.224 -6.766 1.00 0.00 C ATOM 1336 O ALA A 83 -1.563 -11.126 -6.183 1.00 0.00 O ATOM 1337 CB ALA A 83 0.426 -9.958 -8.730 1.00 0.00 C ATOM 0 H ALA A 83 -2.094 -10.096 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 83 0.062 -12.051 -8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.431 -10.047 -8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.480 -9.939 -9.818 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.032 -9.035 -8.373 1.00 0.00 H new ATOM 1343 N TYR A 84 0.665 -11.381 -6.126 1.00 0.00 N ATOM 1344 CA TYR A 84 0.705 -11.504 -4.674 1.00 0.00 C ATOM 1345 C TYR A 84 0.878 -10.143 -3.991 1.00 0.00 C ATOM 1346 O TYR A 84 0.139 -9.832 -3.055 1.00 0.00 O ATOM 1347 CB TYR A 84 1.810 -12.471 -4.242 1.00 0.00 C ATOM 1348 CG TYR A 84 1.657 -13.856 -4.839 1.00 0.00 C ATOM 1349 CD1 TYR A 84 0.486 -14.580 -4.662 1.00 0.00 C ATOM 1350 CD2 TYR A 84 2.674 -14.430 -5.594 1.00 0.00 C ATOM 1351 CE1 TYR A 84 0.330 -15.837 -5.216 1.00 0.00 C ATOM 1352 CE2 TYR A 84 2.525 -15.687 -6.152 1.00 0.00 C ATOM 1353 CZ TYR A 84 1.351 -16.386 -5.958 1.00 0.00 C ATOM 1354 OH TYR A 84 1.193 -17.636 -6.514 1.00 0.00 O ATOM 0 H TYR A 84 1.576 -11.427 -6.582 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.255 -11.909 -4.355 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.777 -12.061 -4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.811 -12.549 -3.155 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.318 -14.153 -4.081 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.594 -13.886 -5.747 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.588 -16.385 -5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.324 -16.119 -6.737 1.00 0.00 H new ATOM 0 HH TYR A 84 2.004 -17.879 -7.008 1.00 0.00 H new ATOM 1364 N PRO A 85 1.851 -9.305 -4.416 1.00 0.00 N ATOM 1365 CA PRO A 85 1.980 -7.960 -3.884 1.00 0.00 C ATOM 1366 C PRO A 85 1.171 -6.939 -4.689 1.00 0.00 C ATOM 1367 O PRO A 85 1.497 -6.634 -5.841 1.00 0.00 O ATOM 1368 CB PRO A 85 3.476 -7.689 -4.008 1.00 0.00 C ATOM 1369 CG PRO A 85 3.916 -8.476 -5.202 1.00 0.00 C ATOM 1370 CD PRO A 85 2.915 -9.595 -5.396 1.00 0.00 C ATOM 0 HA PRO A 85 1.600 -7.874 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.674 -6.626 -4.142 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.009 -8.002 -3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.959 -7.841 -6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.918 -8.878 -5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.526 -9.608 -6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.368 -10.570 -5.215 1.00 0.00 H new ATOM 1378 N THR A 86 0.105 -6.425 -4.092 1.00 0.00 N ATOM 1379 CA THR A 86 -0.751 -5.459 -4.763 1.00 0.00 C ATOM 1380 C THR A 86 -1.025 -4.256 -3.855 1.00 0.00 C ATOM 1381 O THR A 86 -1.605 -4.395 -2.780 1.00 0.00 O ATOM 1382 CB THR A 86 -2.081 -6.117 -5.191 1.00 0.00 C ATOM 1383 OG1 THR A 86 -1.811 -7.289 -5.978 1.00 0.00 O ATOM 1384 CG2 THR A 86 -2.937 -5.154 -5.998 1.00 0.00 C ATOM 0 H THR A 86 -0.187 -6.661 -3.144 1.00 0.00 H new ATOM 0 HA THR A 86 -0.232 -5.109 -5.655 1.00 0.00 H new ATOM 0 HB THR A 86 -2.628 -6.392 -4.289 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.657 -7.705 -6.246 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.866 -5.646 -6.285 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.163 -4.275 -5.395 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.396 -4.850 -6.894 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.601 -3.077 -4.293 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.723 -1.873 -3.482 1.00 0.00 C ATOM 1394 C LEU A 87 -1.785 -0.943 -4.061 1.00 0.00 C ATOM 1395 O LEU A 87 -1.939 -0.846 -5.279 1.00 0.00 O ATOM 1396 CB LEU A 87 0.628 -1.158 -3.402 1.00 0.00 C ATOM 1397 CG LEU A 87 1.770 -2.003 -2.833 1.00 0.00 C ATOM 1398 CD1 LEU A 87 3.080 -1.235 -2.883 1.00 0.00 C ATOM 1399 CD2 LEU A 87 1.456 -2.432 -1.408 1.00 0.00 C ATOM 0 H LEU A 87 -0.170 -2.929 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.031 -2.158 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.906 -0.824 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.515 -0.265 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 87 1.874 -2.898 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.880 -1.853 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.312 -0.978 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.989 -0.322 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.279 -3.032 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.324 -1.549 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.540 -3.023 -1.399 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.527 -0.277 -3.186 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.609 0.604 -3.612 1.00 0.00 C ATOM 1413 C LEU A 88 -3.490 1.983 -2.974 1.00 0.00 C ATOM 1414 O LEU A 88 -3.111 2.110 -1.809 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.983 0.007 -3.266 1.00 0.00 C ATOM 1416 CG LEU A 88 -5.515 -1.061 -4.231 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -5.385 -0.596 -5.670 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -4.814 -2.395 -4.029 1.00 0.00 C ATOM 0 H LEU A 88 -2.400 -0.330 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.524 0.705 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.927 -0.429 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.708 0.819 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.572 -1.209 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.768 -1.368 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.958 0.321 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.336 -0.407 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.216 -3.127 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.745 -2.274 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.978 -2.741 -3.008 1.00 0.00 H new ATOM 1430 N PHE A 89 -3.812 3.007 -3.753 1.00 0.00 N ATOM 1431 CA PHE A 89 -3.866 4.375 -3.259 1.00 0.00 C ATOM 1432 C PHE A 89 -5.297 4.888 -3.357 1.00 0.00 C ATOM 1433 O PHE A 89 -5.842 5.027 -4.459 1.00 0.00 O ATOM 1434 CB PHE A 89 -2.931 5.281 -4.067 1.00 0.00 C ATOM 1435 CG PHE A 89 -1.478 4.918 -3.948 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -0.918 3.967 -4.786 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -0.676 5.527 -2.998 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.415 3.629 -4.675 1.00 0.00 C ATOM 1439 CE2 PHE A 89 0.659 5.193 -2.885 1.00 0.00 C ATOM 1440 CZ PHE A 89 1.205 4.243 -3.724 1.00 0.00 C ATOM 0 H PHE A 89 -4.042 2.913 -4.742 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.540 4.388 -2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.220 5.241 -5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.066 6.311 -3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.531 3.486 -5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.099 6.271 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.840 2.884 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.275 5.675 -2.141 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.249 3.980 -3.637 1.00 0.00 H new ATOM 1450 N ILE A 90 -5.908 5.159 -2.215 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.314 5.526 -2.181 1.00 0.00 C ATOM 1452 C ILE A 90 -7.540 6.799 -1.359 1.00 0.00 C ATOM 1453 O ILE A 90 -6.830 7.058 -0.382 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.158 4.353 -1.622 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -9.655 4.658 -1.697 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -7.755 4.030 -0.193 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -10.531 3.507 -1.246 1.00 0.00 C ATOM 0 H ILE A 90 -5.454 5.132 -1.302 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.635 5.735 -3.201 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.960 3.480 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.871 5.531 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.913 4.920 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.361 3.204 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.702 3.748 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.912 4.906 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -11.579 3.795 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -10.344 2.638 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -10.301 3.259 -0.210 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.512 7.602 -1.786 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.871 8.837 -1.090 1.00 0.00 C ATOM 1471 C ASN A 91 -9.772 8.547 0.101 1.00 0.00 C ATOM 1472 O ASN A 91 -10.287 7.436 0.245 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.593 9.817 -2.027 1.00 0.00 C ATOM 1474 CG ASN A 91 -8.710 10.349 -3.137 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -7.494 10.438 -2.993 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -9.325 10.730 -4.247 1.00 0.00 N ATOM 0 H ASN A 91 -9.071 7.417 -2.619 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.941 9.289 -0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.456 9.318 -2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.973 10.655 -1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.786 11.114 -5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.338 10.639 -4.326 1.00 0.00 H new ATOM 1483 N SER A 92 -9.985 9.565 0.924 1.00 0.00 N ATOM 1484 CA SER A 92 -10.809 9.446 2.119 1.00 0.00 C ATOM 1485 C SER A 92 -12.262 9.125 1.759 1.00 0.00 C ATOM 1486 O SER A 92 -12.990 8.510 2.537 1.00 0.00 O ATOM 1487 CB SER A 92 -10.740 10.758 2.898 1.00 0.00 C ATOM 1488 OG SER A 92 -9.422 11.285 2.871 1.00 0.00 O ATOM 0 H SER A 92 -9.592 10.495 0.782 1.00 0.00 H new ATOM 0 HA SER A 92 -10.430 8.627 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.435 11.479 2.468 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.050 10.592 3.930 1.00 0.00 H new ATOM 0 HG SER A 92 -9.096 11.398 3.788 1.00 0.00 H new ATOM 1494 N SER A 93 -12.669 9.541 0.568 1.00 0.00 N ATOM 1495 CA SER A 93 -14.027 9.325 0.087 1.00 0.00 C ATOM 1496 C SER A 93 -14.201 7.920 -0.491 1.00 0.00 C ATOM 1497 O SER A 93 -15.314 7.501 -0.809 1.00 0.00 O ATOM 1498 CB SER A 93 -14.344 10.383 -0.968 1.00 0.00 C ATOM 1499 OG SER A 93 -13.165 10.728 -1.684 1.00 0.00 O ATOM 0 H SER A 93 -12.069 10.037 -0.091 1.00 0.00 H new ATOM 0 HA SER A 93 -14.719 9.413 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.100 10.006 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.762 11.270 -0.491 1.00 0.00 H new ATOM 0 HG SER A 93 -13.410 11.145 -2.536 1.00 0.00 H new ATOM 1505 N GLY A 94 -13.100 7.189 -0.611 1.00 0.00 N ATOM 1506 CA GLY A 94 -13.160 5.868 -1.206 1.00 0.00 C ATOM 1507 C GLY A 94 -12.942 5.908 -2.706 1.00 0.00 C ATOM 1508 O GLY A 94 -13.511 5.106 -3.451 1.00 0.00 O ATOM 0 H GLY A 94 -12.172 7.485 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.405 5.230 -0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.130 5.418 -0.993 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.121 6.848 -3.147 1.00 0.00 N ATOM 1513 CA GLU A 95 -11.802 6.994 -4.561 1.00 0.00 C ATOM 1514 C GLU A 95 -10.408 6.458 -4.850 1.00 0.00 C ATOM 1515 O GLU A 95 -9.452 6.806 -4.163 1.00 0.00 O ATOM 1516 CB GLU A 95 -11.879 8.462 -4.973 1.00 0.00 C ATOM 1517 CG GLU A 95 -13.254 9.076 -4.797 1.00 0.00 C ATOM 1518 CD GLU A 95 -13.266 10.549 -5.136 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -13.359 10.886 -6.335 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -13.173 11.377 -4.207 1.00 0.00 O ATOM 0 H GLU A 95 -11.660 7.527 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.530 6.421 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.159 9.032 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.582 8.552 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.968 8.552 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.583 8.939 -3.767 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.294 5.623 -5.866 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.012 5.043 -6.235 1.00 0.00 C ATOM 1529 C VAL A 96 -8.274 5.980 -7.183 1.00 0.00 C ATOM 1530 O VAL A 96 -8.729 6.230 -8.301 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.194 3.662 -6.905 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -7.851 2.980 -7.141 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -10.106 2.778 -6.066 1.00 0.00 C ATOM 0 H VAL A 96 -11.075 5.329 -6.453 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.428 4.907 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.662 3.820 -7.877 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.013 2.011 -7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.236 3.602 -7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.342 2.838 -6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.223 1.810 -6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.668 2.637 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.082 3.254 -5.965 1.00 0.00 H new ATOM 1543 N VAL A 97 -7.149 6.516 -6.735 1.00 0.00 N ATOM 1544 CA VAL A 97 -6.380 7.442 -7.557 1.00 0.00 C ATOM 1545 C VAL A 97 -5.375 6.699 -8.428 1.00 0.00 C ATOM 1546 O VAL A 97 -5.021 7.162 -9.514 1.00 0.00 O ATOM 1547 CB VAL A 97 -5.645 8.508 -6.714 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -6.643 9.384 -5.978 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -4.674 7.868 -5.735 1.00 0.00 C ATOM 0 H VAL A 97 -6.750 6.329 -5.815 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.100 7.955 -8.194 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.067 9.132 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.108 10.129 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.288 9.886 -6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.250 8.767 -5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.174 8.646 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.220 7.209 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.931 7.290 -6.285 1.00 0.00 H new ATOM 1559 N TYR A 98 -4.931 5.541 -7.952 1.00 0.00 N ATOM 1560 CA TYR A 98 -3.947 4.743 -8.666 1.00 0.00 C ATOM 1561 C TYR A 98 -3.893 3.334 -8.086 1.00 0.00 C ATOM 1562 O TYR A 98 -3.951 3.156 -6.867 1.00 0.00 O ATOM 1563 CB TYR A 98 -2.568 5.407 -8.574 1.00 0.00 C ATOM 1564 CG TYR A 98 -1.493 4.735 -9.402 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -1.540 4.766 -10.788 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -0.421 4.090 -8.796 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -0.554 4.172 -11.550 1.00 0.00 C ATOM 1568 CE2 TYR A 98 0.569 3.490 -9.551 1.00 0.00 C ATOM 1569 CZ TYR A 98 0.498 3.536 -10.928 1.00 0.00 C ATOM 1570 OH TYR A 98 1.483 2.947 -11.688 1.00 0.00 O ATOM 0 H TYR A 98 -5.240 5.134 -7.069 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.238 4.678 -9.715 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.657 6.446 -8.891 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.252 5.418 -7.531 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.363 5.264 -11.280 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.361 4.057 -7.718 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.607 4.206 -12.628 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.393 2.988 -9.066 1.00 0.00 H new ATOM 0 HH TYR A 98 1.577 3.432 -12.534 1.00 0.00 H new ATOM 1580 N ARG A 99 -3.803 2.341 -8.958 1.00 0.00 N ATOM 1581 CA ARG A 99 -3.648 0.963 -8.523 1.00 0.00 C ATOM 1582 C ARG A 99 -2.263 0.463 -8.912 1.00 0.00 C ATOM 1583 O ARG A 99 -1.756 0.790 -9.988 1.00 0.00 O ATOM 1584 CB ARG A 99 -4.741 0.049 -9.111 1.00 0.00 C ATOM 1585 CG ARG A 99 -4.557 -0.326 -10.577 1.00 0.00 C ATOM 1586 CD ARG A 99 -4.867 0.827 -11.517 1.00 0.00 C ATOM 1587 NE ARG A 99 -6.274 1.227 -11.450 1.00 0.00 N ATOM 1588 CZ ARG A 99 -6.775 2.294 -12.072 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -5.991 3.059 -12.822 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -8.062 2.586 -11.957 1.00 0.00 N ATOM 0 H ARG A 99 -3.835 2.465 -9.970 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.756 0.932 -7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.782 -0.867 -8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.705 0.544 -8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.531 -0.656 -10.738 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.204 -1.170 -10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.236 1.679 -11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -4.621 0.538 -12.539 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.909 0.655 -10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.002 2.831 -12.924 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.378 3.875 -13.297 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.671 1.994 -11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.444 3.403 -12.434 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.645 -0.303 -8.032 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.295 -0.779 -8.263 1.00 0.00 C ATOM 1606 C LEU A 100 -0.228 -2.299 -8.168 1.00 0.00 C ATOM 1607 O LEU A 100 -0.675 -2.894 -7.186 1.00 0.00 O ATOM 1608 CB LEU A 100 0.655 -0.145 -7.248 1.00 0.00 C ATOM 1609 CG LEU A 100 2.140 -0.400 -7.491 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.584 0.250 -8.789 1.00 0.00 C ATOM 1611 CD2 LEU A 100 2.959 0.126 -6.328 1.00 0.00 C ATOM 0 H LEU A 100 -2.057 -0.609 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 100 0.007 -0.490 -9.270 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.485 0.932 -7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.398 -0.515 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 100 2.300 -1.475 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.645 0.059 -8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.013 -0.166 -9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.413 1.325 -8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.017 -0.062 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.794 1.198 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.656 -0.380 -5.411 1.00 0.00 H new ATOM 1623 N VAL A 101 0.313 -2.917 -9.204 1.00 0.00 N ATOM 1624 CA VAL A 101 0.501 -4.358 -9.231 1.00 0.00 C ATOM 1625 C VAL A 101 1.967 -4.682 -9.489 1.00 0.00 C ATOM 1626 O VAL A 101 2.477 -4.458 -10.588 1.00 0.00 O ATOM 1627 CB VAL A 101 -0.364 -5.027 -10.321 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -0.201 -6.539 -10.294 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -1.826 -4.640 -10.159 1.00 0.00 C ATOM 0 H VAL A 101 0.633 -2.438 -10.046 1.00 0.00 H new ATOM 0 HA VAL A 101 0.192 -4.749 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.021 -4.669 -11.292 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.821 -6.986 -11.071 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.844 -6.796 -10.471 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.509 -6.921 -9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.418 -5.122 -10.937 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.181 -4.962 -9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.928 -3.558 -10.244 1.00 0.00 H new ATOM 1639 N GLY A 102 2.643 -5.197 -8.474 1.00 0.00 N ATOM 1640 CA GLY A 102 4.063 -5.456 -8.588 1.00 0.00 C ATOM 1641 C GLY A 102 4.872 -4.475 -7.770 1.00 0.00 C ATOM 1642 O GLY A 102 4.395 -3.383 -7.456 1.00 0.00 O ATOM 0 H GLY A 102 2.233 -5.441 -7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.277 -6.472 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.363 -5.393 -9.634 1.00 0.00 H new ATOM 1646 N ALA A 103 6.096 -4.846 -7.428 1.00 0.00 N ATOM 1647 CA ALA A 103 6.913 -4.022 -6.553 1.00 0.00 C ATOM 1648 C ALA A 103 8.386 -4.099 -6.928 1.00 0.00 C ATOM 1649 O ALA A 103 9.014 -5.155 -6.827 1.00 0.00 O ATOM 1650 CB ALA A 103 6.709 -4.438 -5.104 1.00 0.00 C ATOM 0 H ALA A 103 6.543 -5.708 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 103 6.597 -2.986 -6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.325 -3.815 -4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.660 -4.315 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.995 -5.483 -4.982 1.00 0.00 H new ATOM 1656 N GLU A 104 8.923 -2.971 -7.363 1.00 0.00 N ATOM 1657 CA GLU A 104 10.334 -2.866 -7.696 1.00 0.00 C ATOM 1658 C GLU A 104 11.091 -2.192 -6.558 1.00 0.00 C ATOM 1659 O GLU A 104 10.522 -1.913 -5.502 1.00 0.00 O ATOM 1660 CB GLU A 104 10.539 -2.074 -8.992 1.00 0.00 C ATOM 1661 CG GLU A 104 10.097 -2.796 -10.257 1.00 0.00 C ATOM 1662 CD GLU A 104 8.593 -2.860 -10.422 1.00 0.00 C ATOM 1663 OE1 GLU A 104 7.947 -1.792 -10.416 1.00 0.00 O ATOM 1664 OE2 GLU A 104 8.056 -3.973 -10.609 1.00 0.00 O ATOM 0 H GLU A 104 8.397 -2.107 -7.495 1.00 0.00 H new ATOM 0 HA GLU A 104 10.721 -3.874 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.993 -1.134 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.595 -1.822 -9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.528 -2.293 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.497 -3.810 -10.246 1.00 0.00 H new ATOM 1671 N ASP A 105 12.378 -1.939 -6.780 1.00 0.00 N ATOM 1672 CA ASP A 105 13.216 -1.247 -5.801 1.00 0.00 C ATOM 1673 C ASP A 105 12.650 0.131 -5.468 1.00 0.00 C ATOM 1674 O ASP A 105 11.843 0.672 -6.221 1.00 0.00 O ATOM 1675 CB ASP A 105 14.647 -1.107 -6.325 1.00 0.00 C ATOM 1676 CG ASP A 105 15.436 -2.399 -6.232 1.00 0.00 C ATOM 1677 OD1 ASP A 105 15.176 -3.325 -7.030 1.00 0.00 O ATOM 1678 OD2 ASP A 105 16.325 -2.491 -5.361 1.00 0.00 O ATOM 0 H ASP A 105 12.867 -2.204 -7.635 1.00 0.00 H new ATOM 0 HA ASP A 105 13.226 -1.845 -4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.618 -0.778 -7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 105 15.162 -0.331 -5.759 1.00 0.00 H new ATOM 1683 N ALA A 106 13.111 0.701 -4.354 1.00 0.00 N ATOM 1684 CA ALA A 106 12.558 1.950 -3.813 1.00 0.00 C ATOM 1685 C ALA A 106 12.390 3.058 -4.868 1.00 0.00 C ATOM 1686 O ALA A 106 11.287 3.587 -5.017 1.00 0.00 O ATOM 1687 CB ALA A 106 13.397 2.444 -2.636 1.00 0.00 C ATOM 0 H ALA A 106 13.875 0.314 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 106 11.553 1.712 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 106 12.971 3.370 -2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.400 1.690 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.419 2.626 -2.969 1.00 0.00 H new ATOM 1693 N PRO A 107 13.451 3.431 -5.626 1.00 0.00 N ATOM 1694 CA PRO A 107 13.344 4.496 -6.633 1.00 0.00 C ATOM 1695 C PRO A 107 12.356 4.138 -7.739 1.00 0.00 C ATOM 1696 O PRO A 107 11.596 4.987 -8.205 1.00 0.00 O ATOM 1697 CB PRO A 107 14.764 4.617 -7.201 1.00 0.00 C ATOM 1698 CG PRO A 107 15.645 3.949 -6.200 1.00 0.00 C ATOM 1699 CD PRO A 107 14.814 2.866 -5.583 1.00 0.00 C ATOM 0 HA PRO A 107 12.974 5.425 -6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 107 14.840 4.135 -8.176 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.045 5.661 -7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.535 3.536 -6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 107 15.987 4.657 -5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.883 1.934 -6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.129 2.647 -4.563 1.00 0.00 H new ATOM 1707 N GLU A 108 12.360 2.870 -8.134 1.00 0.00 N ATOM 1708 CA GLU A 108 11.491 2.385 -9.194 1.00 0.00 C ATOM 1709 C GLU A 108 10.035 2.390 -8.738 1.00 0.00 C ATOM 1710 O GLU A 108 9.141 2.816 -9.471 1.00 0.00 O ATOM 1711 CB GLU A 108 11.902 0.966 -9.588 1.00 0.00 C ATOM 1712 CG GLU A 108 13.385 0.819 -9.897 1.00 0.00 C ATOM 1713 CD GLU A 108 13.834 1.699 -11.041 1.00 0.00 C ATOM 1714 OE1 GLU A 108 13.461 1.413 -12.194 1.00 0.00 O ATOM 1715 OE2 GLU A 108 14.571 2.674 -10.793 1.00 0.00 O ATOM 0 H GLU A 108 12.963 2.154 -7.729 1.00 0.00 H new ATOM 0 HA GLU A 108 11.589 3.046 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.640 0.284 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.326 0.660 -10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.963 1.065 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.600 -0.222 -10.139 1.00 0.00 H new ATOM 1722 N LEU A 109 9.813 1.914 -7.520 1.00 0.00 N ATOM 1723 CA LEU A 109 8.486 1.888 -6.922 1.00 0.00 C ATOM 1724 C LEU A 109 7.934 3.301 -6.821 1.00 0.00 C ATOM 1725 O LEU A 109 6.813 3.581 -7.250 1.00 0.00 O ATOM 1726 CB LEU A 109 8.558 1.270 -5.525 1.00 0.00 C ATOM 1727 CG LEU A 109 7.211 1.030 -4.842 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.398 -0.006 -5.603 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.419 0.594 -3.400 1.00 0.00 C ATOM 0 H LEU A 109 10.546 1.536 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 109 7.828 1.288 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.085 0.319 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.157 1.921 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 109 6.653 1.966 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.444 -0.161 -5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.219 0.346 -6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.948 -0.947 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.451 0.427 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.997 -0.330 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.958 1.372 -2.859 1.00 0.00 H new ATOM 1741 N LEU A 110 8.744 4.186 -6.257 1.00 0.00 N ATOM 1742 CA LEU A 110 8.370 5.584 -6.094 1.00 0.00 C ATOM 1743 C LEU A 110 8.092 6.239 -7.445 1.00 0.00 C ATOM 1744 O LEU A 110 7.181 7.052 -7.568 1.00 0.00 O ATOM 1745 CB LEU A 110 9.470 6.348 -5.352 1.00 0.00 C ATOM 1746 CG LEU A 110 9.165 7.822 -5.064 1.00 0.00 C ATOM 1747 CD1 LEU A 110 7.920 7.959 -4.203 1.00 0.00 C ATOM 1748 CD2 LEU A 110 10.350 8.488 -4.390 1.00 0.00 C ATOM 0 H LEU A 110 9.672 3.958 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 110 7.455 5.621 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.665 5.843 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.387 6.292 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 110 8.979 8.322 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.724 9.014 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.068 7.520 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.074 7.441 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.116 9.534 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 110 10.566 7.981 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.221 8.428 -5.043 1.00 0.00 H new ATOM 1760 N LYS A 111 8.868 5.872 -8.458 1.00 0.00 N ATOM 1761 CA LYS A 111 8.677 6.407 -9.801 1.00 0.00 C ATOM 1762 C LYS A 111 7.283 6.048 -10.313 1.00 0.00 C ATOM 1763 O LYS A 111 6.565 6.895 -10.844 1.00 0.00 O ATOM 1764 CB LYS A 111 9.743 5.850 -10.749 1.00 0.00 C ATOM 1765 CG LYS A 111 9.836 6.575 -12.086 1.00 0.00 C ATOM 1766 CD LYS A 111 10.412 7.974 -11.925 1.00 0.00 C ATOM 1767 CE LYS A 111 10.710 8.617 -13.271 1.00 0.00 C ATOM 1768 NZ LYS A 111 9.475 8.906 -14.045 1.00 0.00 N ATOM 0 H LYS A 111 9.636 5.206 -8.375 1.00 0.00 H new ATOM 0 HA LYS A 111 8.773 7.492 -9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.713 5.899 -10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.533 4.797 -10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 111 10.461 6.000 -12.770 1.00 0.00 H new ATOM 0 HG3 LYS A 111 8.845 6.638 -12.536 1.00 0.00 H new ATOM 0 HD2 LYS A 111 9.708 8.596 -11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.327 7.925 -11.334 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.263 9.543 -13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 111 11.354 7.956 -13.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 9.612 8.623 -15.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 8.679 8.374 -13.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 9.268 9.924 -14.002 1.00 0.00 H new ATOM 1782 N LYS A 112 6.901 4.790 -10.120 1.00 0.00 N ATOM 1783 CA LYS A 112 5.599 4.303 -10.561 1.00 0.00 C ATOM 1784 C LYS A 112 4.460 5.057 -9.882 1.00 0.00 C ATOM 1785 O LYS A 112 3.577 5.600 -10.551 1.00 0.00 O ATOM 1786 CB LYS A 112 5.460 2.804 -10.276 1.00 0.00 C ATOM 1787 CG LYS A 112 6.337 1.927 -11.155 1.00 0.00 C ATOM 1788 CD LYS A 112 6.025 2.132 -12.631 1.00 0.00 C ATOM 1789 CE LYS A 112 4.565 1.836 -12.946 1.00 0.00 C ATOM 1790 NZ LYS A 112 4.223 0.404 -12.749 1.00 0.00 N ATOM 0 H LYS A 112 7.478 4.086 -9.659 1.00 0.00 H new ATOM 0 HA LYS A 112 5.535 4.476 -11.635 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.708 2.618 -9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.419 2.513 -10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.386 2.156 -10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.187 0.880 -10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.257 3.159 -12.912 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.665 1.485 -13.231 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.927 2.450 -12.310 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.354 2.119 -13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.233 0.242 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.846 -0.186 -13.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.350 0.151 -11.748 1.00 0.00 H new ATOM 1804 N VAL A 113 4.489 5.090 -8.555 1.00 0.00 N ATOM 1805 CA VAL A 113 3.443 5.688 -7.776 1.00 0.00 C ATOM 1806 C VAL A 113 3.393 7.207 -7.957 1.00 0.00 C ATOM 1807 O VAL A 113 2.315 7.798 -7.952 1.00 0.00 O ATOM 1808 CB VAL A 113 3.629 5.318 -6.295 1.00 0.00 C ATOM 1809 CG1 VAL A 113 3.692 3.809 -6.128 1.00 0.00 C ATOM 1810 CG2 VAL A 113 4.863 5.973 -5.690 1.00 0.00 C ATOM 0 H VAL A 113 5.248 4.697 -7.998 1.00 0.00 H new ATOM 0 HA VAL A 113 2.489 5.297 -8.128 1.00 0.00 H new ATOM 0 HB VAL A 113 2.763 5.700 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.824 3.565 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.765 3.364 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.532 3.414 -6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.953 5.683 -4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.750 5.649 -6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.770 7.057 -5.759 1.00 0.00 H new ATOM 1820 N LYS A 114 4.556 7.830 -8.130 1.00 0.00 N ATOM 1821 CA LYS A 114 4.633 9.277 -8.298 1.00 0.00 C ATOM 1822 C LYS A 114 3.915 9.716 -9.571 1.00 0.00 C ATOM 1823 O LYS A 114 3.225 10.732 -9.585 1.00 0.00 O ATOM 1824 CB LYS A 114 6.085 9.739 -8.325 1.00 0.00 C ATOM 1825 CG LYS A 114 6.237 11.249 -8.313 1.00 0.00 C ATOM 1826 CD LYS A 114 7.685 11.660 -8.248 1.00 0.00 C ATOM 1827 CE LYS A 114 8.289 11.404 -6.880 1.00 0.00 C ATOM 1828 NZ LYS A 114 7.597 12.165 -5.804 1.00 0.00 N ATOM 0 H LYS A 114 5.458 7.354 -8.157 1.00 0.00 H new ATOM 0 HA LYS A 114 4.136 9.741 -7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.607 9.322 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.569 9.339 -9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.779 11.669 -9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.702 11.662 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 114 8.251 11.113 -9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.772 12.719 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.239 10.338 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 114 9.344 11.678 -6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.213 12.222 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.381 13.125 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.713 11.680 -5.550 1.00 0.00 H new ATOM 1842 N LEU A 115 4.063 8.942 -10.640 1.00 0.00 N ATOM 1843 CA LEU A 115 3.400 9.261 -11.901 1.00 0.00 C ATOM 1844 C LEU A 115 1.912 8.921 -11.838 1.00 0.00 C ATOM 1845 O LEU A 115 1.132 9.323 -12.704 1.00 0.00 O ATOM 1846 CB LEU A 115 4.063 8.524 -13.072 1.00 0.00 C ATOM 1847 CG LEU A 115 5.287 9.222 -13.685 1.00 0.00 C ATOM 1848 CD1 LEU A 115 4.902 10.582 -14.243 1.00 0.00 C ATOM 1849 CD2 LEU A 115 6.399 9.373 -12.663 1.00 0.00 C ATOM 0 H LEU A 115 4.631 8.095 -10.661 1.00 0.00 H new ATOM 0 HA LEU A 115 3.502 10.334 -12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.364 7.533 -12.731 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.319 8.379 -13.855 1.00 0.00 H new ATOM 0 HG LEU A 115 5.654 8.598 -14.500 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.782 11.061 -14.673 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.143 10.457 -15.015 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.505 11.205 -13.442 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.252 9.870 -13.124 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.043 9.969 -11.823 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.702 8.388 -12.307 1.00 0.00 H new ATOM 1861 N GLY A 116 1.528 8.182 -10.809 1.00 0.00 N ATOM 1862 CA GLY A 116 0.138 7.829 -10.629 1.00 0.00 C ATOM 1863 C GLY A 116 -0.605 8.830 -9.764 1.00 0.00 C ATOM 1864 O GLY A 116 -1.719 9.236 -10.093 1.00 0.00 O ATOM 0 H GLY A 116 2.158 7.820 -10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.347 7.764 -11.603 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.073 6.841 -10.174 1.00 0.00 H new ATOM 1868 N VAL A 117 0.020 9.232 -8.663 1.00 0.00 N ATOM 1869 CA VAL A 117 -0.613 10.129 -7.704 1.00 0.00 C ATOM 1870 C VAL A 117 -0.460 11.592 -8.115 1.00 0.00 C ATOM 1871 O VAL A 117 -1.421 12.367 -8.043 1.00 0.00 O ATOM 1872 CB VAL A 117 -0.034 9.931 -6.286 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -0.701 10.871 -5.292 1.00 0.00 C ATOM 1874 CG2 VAL A 117 -0.194 8.484 -5.844 1.00 0.00 C ATOM 0 H VAL A 117 0.968 8.950 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.674 9.879 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 117 1.029 10.169 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.277 10.713 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.533 11.903 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.772 10.671 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.219 8.362 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.252 8.221 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.336 7.831 -6.537 1.00 0.00 H new ATOM 1884 N GLU A 118 0.737 11.968 -8.555 1.00 0.00 N ATOM 1885 CA GLU A 118 1.016 13.355 -8.914 1.00 0.00 C ATOM 1886 C GLU A 118 0.372 13.730 -10.241 1.00 0.00 C ATOM 1887 O GLU A 118 0.984 13.588 -11.304 1.00 0.00 O ATOM 1888 CB GLU A 118 2.517 13.626 -8.971 1.00 0.00 C ATOM 1889 CG GLU A 118 3.054 14.327 -7.737 1.00 0.00 C ATOM 1890 CD GLU A 118 2.915 13.508 -6.472 1.00 0.00 C ATOM 1891 OE1 GLU A 118 3.852 12.745 -6.148 1.00 0.00 O ATOM 1892 OE2 GLU A 118 1.886 13.648 -5.780 1.00 0.00 O ATOM 0 H GLU A 118 1.527 11.334 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 118 0.580 13.976 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.044 12.681 -9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 118 2.735 14.235 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.106 14.566 -7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 118 2.528 15.273 -7.608 1.00 0.00 H new ATOM 1899 N SER A 119 -0.878 14.171 -10.155 1.00 0.00 N ATOM 1900 CA SER A 119 -1.621 14.698 -11.293 1.00 0.00 C ATOM 1901 C SER A 119 -1.888 13.625 -12.349 1.00 0.00 C ATOM 1902 O SER A 119 -1.028 13.307 -13.175 1.00 0.00 O ATOM 1903 CB SER A 119 -0.878 15.890 -11.907 1.00 0.00 C ATOM 1904 OG SER A 119 -1.656 16.532 -12.908 1.00 0.00 O ATOM 0 H SER A 119 -1.409 14.173 -9.284 1.00 0.00 H new ATOM 0 HA SER A 119 -2.590 15.036 -10.926 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.628 16.606 -11.124 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.063 15.550 -12.339 1.00 0.00 H new ATOM 0 HG SER A 119 -1.154 17.288 -13.278 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.088 13.063 -12.311 1.00 0.00 N ATOM 1911 CA GLU A 120 -3.531 12.142 -13.350 1.00 0.00 C ATOM 1912 C GLU A 120 -4.059 12.949 -14.531 1.00 0.00 C ATOM 1913 O GLU A 120 -3.934 12.553 -15.690 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.620 11.208 -12.812 1.00 0.00 C ATOM 1915 CG GLU A 120 -5.187 10.254 -13.855 1.00 0.00 C ATOM 1916 CD GLU A 120 -6.366 9.456 -13.340 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -7.150 9.999 -12.532 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -6.520 8.283 -13.739 1.00 0.00 O ATOM 0 H GLU A 120 -3.772 13.228 -11.573 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.691 11.527 -13.673 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.210 10.626 -11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.432 11.810 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.495 10.823 -14.732 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.403 9.569 -14.178 1.00 0.00 H new ATOM 1925 N GLY A 121 -4.633 14.100 -14.212 1.00 0.00 N ATOM 1926 CA GLY A 121 -5.156 14.987 -15.224 1.00 0.00 C ATOM 1927 C GLY A 121 -5.174 16.416 -14.734 1.00 0.00 C ATOM 1928 O GLY A 121 -5.283 16.615 -13.506 1.00 0.00 O ATOM 0 H GLY A 121 -4.745 14.436 -13.256 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.547 14.915 -16.125 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -6.166 14.679 -15.496 1.00 0.00 H new TER 1932 GLY A 121