USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 731 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 73 HIS : no HD1:sc= 1.07 K(o=2.5,f=-4.7!) USER MOD Set 1.2: A 75 THR OG1 : rot -102:sc= 1.43 USER MOD Set 2.1: A 46 HIS : no HE2:sc= 0.968 K(o=0.93,f=-4.9!) USER MOD Set 2.2: A 51 SER OG : rot 180:sc= -0.0415 USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 26:sc= 0.594 USER MOD Single : A 7 THR OG1 : rot 68:sc= 0.254 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00592 USER MOD Single : A 12 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.098) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.0235 (180deg=-0.21) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.315 K(o=-0.31,f=-3!) USER MOD Single : A 32 GLN : amide:sc= -3.95! C(o=-4!,f=-8!) USER MOD Single : A 39 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.0038) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 49 GLN : amide:sc= -2.73! C(o=-2.7!,f=-1.7!) USER MOD Single : A 55 HIS : no HD1:sc= -0.244 K(o=-0.24,f=-1) USER MOD Single : A 57 GLN : amide:sc= -0.838 K(o=-0.84,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.167 K(o=-0.17,f=-4.7!) USER MOD Single : A 60 SER OG : rot -120:sc= 1.07 USER MOD Single : A 62 SER OG : rot 75:sc= 0.0377 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.735 K(o=0.73,f=-2.3!) USER MOD Single : A 68 GLN : amide:sc= -3.93! C(o=-3.9!,f=-6.7!) USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 1.26 (180deg=0.963) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.125 K(o=-0.13,f=-0.68) USER MOD Single : A 83 MET CE :methyl 180:sc= -1.29 (180deg=-1.29) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 139:sc= -0.209 (180deg=-1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 14.645 -9.684 0.287 1.00 0.00 N ATOM 2 CA PHE A 1 14.612 -8.590 1.281 1.00 0.00 C ATOM 3 C PHE A 1 13.256 -8.557 1.962 1.00 0.00 C ATOM 4 O PHE A 1 12.243 -8.231 1.341 1.00 0.00 O ATOM 5 CB PHE A 1 14.879 -7.244 0.597 1.00 0.00 C ATOM 6 CG PHE A 1 15.106 -6.102 1.550 1.00 0.00 C ATOM 7 CD1 PHE A 1 14.036 -5.407 2.092 1.00 0.00 C ATOM 8 CD2 PHE A 1 16.391 -5.721 1.900 1.00 0.00 C ATOM 9 CE1 PHE A 1 14.243 -4.360 2.969 1.00 0.00 C ATOM 10 CE2 PHE A 1 16.605 -4.672 2.774 1.00 0.00 C ATOM 11 CZ PHE A 1 15.530 -3.989 3.308 1.00 0.00 C ATOM 0 H1 PHE A 1 15.575 -9.703 -0.177 1.00 0.00 H new ATOM 0 H2 PHE A 1 14.478 -10.592 0.765 1.00 0.00 H new ATOM 0 H3 PHE A 1 13.905 -9.527 -0.427 1.00 0.00 H new ATOM 0 HA PHE A 1 15.387 -8.768 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 1 15.752 -7.344 -0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 1 14.033 -7.002 -0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 1 13.028 -5.688 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 1 17.236 -6.250 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 1 13.400 -3.832 3.389 1.00 0.00 H new ATOM 0 HE2 PHE A 1 17.612 -4.387 3.039 1.00 0.00 H new ATOM 0 HZ PHE A 1 15.695 -3.167 3.989 1.00 0.00 H new ATOM 23 N LEU A 2 13.242 -8.927 3.229 1.00 0.00 N ATOM 24 CA LEU A 2 12.041 -8.845 4.036 1.00 0.00 C ATOM 25 C LEU A 2 11.807 -7.397 4.444 1.00 0.00 C ATOM 26 O LEU A 2 12.721 -6.734 4.932 1.00 0.00 O ATOM 27 CB LEU A 2 12.178 -9.763 5.266 1.00 0.00 C ATOM 28 CG LEU A 2 11.025 -9.732 6.281 1.00 0.00 C ATOM 29 CD1 LEU A 2 10.961 -11.047 7.042 1.00 0.00 C ATOM 30 CD2 LEU A 2 11.196 -8.584 7.267 1.00 0.00 C ATOM 0 H LEU A 2 14.057 -9.290 3.724 1.00 0.00 H new ATOM 0 HA LEU A 2 11.179 -9.182 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.295 -10.788 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.098 -9.498 5.788 1.00 0.00 H new ATOM 0 HG LEU A 2 10.096 -9.584 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.140 -11.013 7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 2 10.797 -11.865 6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.900 -11.206 7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.366 -8.585 7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.134 -8.706 7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.210 -7.638 6.725 1.00 0.00 H new ATOM 42 N LEU A 3 10.599 -6.907 4.216 1.00 0.00 N ATOM 43 CA LEU A 3 10.227 -5.563 4.636 1.00 0.00 C ATOM 44 C LEU A 3 9.901 -5.553 6.125 1.00 0.00 C ATOM 45 O LEU A 3 8.877 -6.096 6.547 1.00 0.00 O ATOM 46 CB LEU A 3 9.026 -5.055 3.829 1.00 0.00 C ATOM 47 CG LEU A 3 9.336 -3.960 2.805 1.00 0.00 C ATOM 48 CD1 LEU A 3 9.864 -2.711 3.498 1.00 0.00 C ATOM 49 CD2 LEU A 3 10.337 -4.453 1.770 1.00 0.00 C ATOM 0 H LEU A 3 9.857 -7.421 3.741 1.00 0.00 H new ATOM 0 HA LEU A 3 11.070 -4.898 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.578 -5.900 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.277 -4.676 4.525 1.00 0.00 H new ATOM 0 HG LEU A 3 8.408 -3.707 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.078 -1.945 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.115 -2.338 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.777 -2.955 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.541 -3.657 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.263 -4.740 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.924 -5.315 1.247 1.00 0.00 H new ATOM 61 N PRO A 4 10.788 -4.966 6.942 1.00 0.00 N ATOM 62 CA PRO A 4 10.615 -4.918 8.396 1.00 0.00 C ATOM 63 C PRO A 4 9.400 -4.089 8.811 1.00 0.00 C ATOM 64 O PRO A 4 9.089 -3.071 8.188 1.00 0.00 O ATOM 65 CB PRO A 4 11.906 -4.259 8.904 1.00 0.00 C ATOM 66 CG PRO A 4 12.865 -4.324 7.762 1.00 0.00 C ATOM 67 CD PRO A 4 12.030 -4.305 6.515 1.00 0.00 C ATOM 0 HA PRO A 4 10.442 -5.912 8.809 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.727 -3.228 9.207 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.298 -4.784 9.775 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.553 -3.479 7.783 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.470 -5.229 7.812 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.848 -3.289 6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.512 -4.841 5.697 1.00 0.00 H new ATOM 75 N PRO A 5 8.690 -4.522 9.865 1.00 0.00 N ATOM 76 CA PRO A 5 7.534 -3.793 10.399 1.00 0.00 C ATOM 77 C PRO A 5 7.892 -2.354 10.755 1.00 0.00 C ATOM 78 O PRO A 5 8.930 -2.102 11.377 1.00 0.00 O ATOM 79 CB PRO A 5 7.159 -4.577 11.659 1.00 0.00 C ATOM 80 CG PRO A 5 7.703 -5.944 11.430 1.00 0.00 C ATOM 81 CD PRO A 5 8.953 -5.760 10.618 1.00 0.00 C ATOM 0 HA PRO A 5 6.722 -3.725 9.675 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.591 -4.123 12.551 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.079 -4.600 11.804 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.921 -6.441 12.375 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.982 -6.568 10.901 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.834 -5.665 11.252 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.129 -6.606 9.953 1.00 0.00 H new ATOM 89 N SER A 6 7.041 -1.417 10.329 1.00 0.00 N ATOM 90 CA SER A 6 7.232 0.019 10.565 1.00 0.00 C ATOM 91 C SER A 6 8.604 0.490 10.081 1.00 0.00 C ATOM 92 O SER A 6 9.150 1.479 10.569 1.00 0.00 O ATOM 93 CB SER A 6 6.997 0.388 12.045 1.00 0.00 C ATOM 94 OG SER A 6 7.687 -0.473 12.939 1.00 0.00 O ATOM 0 H SER A 6 6.193 -1.634 9.806 1.00 0.00 H new ATOM 0 HA SER A 6 6.481 0.546 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.319 1.415 12.215 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.929 0.349 12.260 1.00 0.00 H new ATOM 0 HG SER A 6 8.470 -0.853 12.488 1.00 0.00 H new ATOM 100 N THR A 7 9.140 -0.222 9.100 1.00 0.00 N ATOM 101 CA THR A 7 10.400 0.141 8.490 1.00 0.00 C ATOM 102 C THR A 7 10.271 0.086 6.972 1.00 0.00 C ATOM 103 O THR A 7 10.556 -0.935 6.344 1.00 0.00 O ATOM 104 CB THR A 7 11.534 -0.794 8.946 1.00 0.00 C ATOM 105 OG1 THR A 7 11.585 -0.849 10.379 1.00 0.00 O ATOM 106 CG2 THR A 7 12.872 -0.324 8.406 1.00 0.00 C ATOM 0 H THR A 7 8.712 -1.062 8.710 1.00 0.00 H new ATOM 0 HA THR A 7 10.648 1.155 8.805 1.00 0.00 H new ATOM 0 HB THR A 7 11.330 -1.790 8.553 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.783 -1.299 10.718 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.658 -1.001 8.742 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.842 -0.315 7.316 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.079 0.682 8.771 1.00 0.00 H new ATOM 114 N ALA A 8 9.797 1.176 6.393 1.00 0.00 N ATOM 115 CA ALA A 8 9.630 1.257 4.954 1.00 0.00 C ATOM 116 C ALA A 8 10.958 1.577 4.283 1.00 0.00 C ATOM 117 O ALA A 8 11.309 2.739 4.092 1.00 0.00 O ATOM 118 CB ALA A 8 8.576 2.294 4.590 1.00 0.00 C ATOM 0 H ALA A 8 9.521 2.018 6.899 1.00 0.00 H new ATOM 0 HA ALA A 8 9.287 0.288 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.468 2.338 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.622 2.017 5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.883 3.271 4.964 1.00 0.00 H new ATOM 124 N CYS A 9 11.706 0.532 3.972 1.00 0.00 N ATOM 125 CA CYS A 9 12.974 0.675 3.279 1.00 0.00 C ATOM 126 C CYS A 9 13.032 -0.301 2.113 1.00 0.00 C ATOM 127 O CYS A 9 13.173 -1.507 2.302 1.00 0.00 O ATOM 128 CB CYS A 9 14.139 0.431 4.239 1.00 0.00 C ATOM 129 SG CYS A 9 14.188 1.579 5.653 1.00 0.00 S ATOM 0 H CYS A 9 11.454 -0.432 4.191 1.00 0.00 H new ATOM 0 HA CYS A 9 13.057 1.692 2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.078 -0.590 4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.075 0.512 3.686 1.00 0.00 H new ATOM 134 N CYS A 10 12.892 0.224 0.911 1.00 0.00 N ATOM 135 CA CYS A 10 12.841 -0.605 -0.278 1.00 0.00 C ATOM 136 C CYS A 10 14.084 -0.450 -1.131 1.00 0.00 C ATOM 137 O CYS A 10 14.397 0.637 -1.607 1.00 0.00 O ATOM 138 CB CYS A 10 11.620 -0.255 -1.121 1.00 0.00 C ATOM 139 SG CYS A 10 10.030 -0.724 -0.377 1.00 0.00 S ATOM 0 H CYS A 10 12.811 1.225 0.732 1.00 0.00 H new ATOM 0 HA CYS A 10 12.779 -1.639 0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 10 11.617 0.819 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.711 -0.745 -2.091 1.00 0.00 H new ATOM 144 N THR A 11 14.800 -1.544 -1.308 1.00 0.00 N ATOM 145 CA THR A 11 15.861 -1.600 -2.289 1.00 0.00 C ATOM 146 C THR A 11 15.399 -2.413 -3.495 1.00 0.00 C ATOM 147 O THR A 11 16.135 -2.608 -4.463 1.00 0.00 O ATOM 148 CB THR A 11 17.130 -2.226 -1.681 1.00 0.00 C ATOM 149 OG1 THR A 11 16.775 -3.401 -0.937 1.00 0.00 O ATOM 150 CG2 THR A 11 17.843 -1.240 -0.768 1.00 0.00 C ATOM 0 H THR A 11 14.664 -2.407 -0.782 1.00 0.00 H new ATOM 0 HA THR A 11 16.100 -0.585 -2.608 1.00 0.00 H new ATOM 0 HB THR A 11 17.807 -2.491 -2.494 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.583 -3.800 -0.551 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.735 -1.708 -0.353 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.129 -0.357 -1.339 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.176 -0.947 0.043 1.00 0.00 H new ATOM 158 N GLN A 12 14.152 -2.862 -3.427 1.00 0.00 N ATOM 159 CA GLN A 12 13.556 -3.678 -4.472 1.00 0.00 C ATOM 160 C GLN A 12 12.077 -3.341 -4.638 1.00 0.00 C ATOM 161 O GLN A 12 11.457 -2.775 -3.736 1.00 0.00 O ATOM 162 CB GLN A 12 13.749 -5.181 -4.188 1.00 0.00 C ATOM 163 CG GLN A 12 13.722 -5.584 -2.708 1.00 0.00 C ATOM 164 CD GLN A 12 12.386 -5.347 -2.027 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.495 -6.193 -2.063 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.258 -4.212 -1.360 1.00 0.00 N ATOM 0 H GLN A 12 13.527 -2.669 -2.644 1.00 0.00 H new ATOM 0 HA GLN A 12 14.067 -3.451 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.969 -5.735 -4.711 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.702 -5.494 -4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.978 -6.640 -2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.493 -5.026 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.021 -3.535 -1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.396 -4.014 -0.851 1.00 0.00 H new ATOM 175 N LEU A 13 11.526 -3.671 -5.801 1.00 0.00 N ATOM 176 CA LEU A 13 10.129 -3.389 -6.106 1.00 0.00 C ATOM 177 C LEU A 13 9.489 -4.587 -6.793 1.00 0.00 C ATOM 178 O LEU A 13 10.179 -5.375 -7.446 1.00 0.00 O ATOM 179 CB LEU A 13 10.017 -2.164 -7.019 1.00 0.00 C ATOM 180 CG LEU A 13 10.498 -0.844 -6.414 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.556 0.237 -7.481 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.584 -0.413 -5.279 1.00 0.00 C ATOM 0 H LEU A 13 12.031 -4.138 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 13 9.609 -3.187 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.588 -2.356 -7.927 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.975 -2.049 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 13 11.501 -0.995 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.900 1.170 -7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.247 -0.065 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.563 0.382 -7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.942 0.528 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.571 -0.279 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.583 -1.178 -4.502 1.00 0.00 H new ATOM 194 N TYR A 14 8.177 -4.724 -6.649 1.00 0.00 N ATOM 195 CA TYR A 14 7.449 -5.801 -7.311 1.00 0.00 C ATOM 196 C TYR A 14 7.160 -5.421 -8.762 1.00 0.00 C ATOM 197 O TYR A 14 7.213 -6.266 -9.657 1.00 0.00 O ATOM 198 CB TYR A 14 6.149 -6.112 -6.564 1.00 0.00 C ATOM 199 CG TYR A 14 5.398 -7.301 -7.120 1.00 0.00 C ATOM 200 CD1 TYR A 14 5.944 -8.578 -7.066 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.145 -7.149 -7.694 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.261 -9.668 -7.570 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.455 -8.235 -8.201 1.00 0.00 C ATOM 204 CZ TYR A 14 4.017 -9.490 -8.136 1.00 0.00 C ATOM 205 OH TYR A 14 3.332 -10.573 -8.642 1.00 0.00 O ATOM 0 H TYR A 14 7.596 -4.106 -6.082 1.00 0.00 H new ATOM 0 HA TYR A 14 8.067 -6.699 -7.302 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.379 -6.297 -5.515 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.502 -5.236 -6.599 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.918 -8.721 -6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.700 -6.166 -7.746 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.699 -10.654 -7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.480 -8.099 -8.646 1.00 0.00 H new ATOM 0 HH TYR A 14 2.471 -10.276 -9.004 1.00 0.00 H new ATOM 215 N ARG A 15 6.849 -4.135 -8.972 1.00 0.00 N ATOM 216 CA ARG A 15 6.673 -3.541 -10.311 1.00 0.00 C ATOM 217 C ARG A 15 5.354 -3.957 -10.968 1.00 0.00 C ATOM 218 O ARG A 15 4.692 -3.137 -11.607 1.00 0.00 O ATOM 219 CB ARG A 15 7.856 -3.882 -11.227 1.00 0.00 C ATOM 220 CG ARG A 15 9.199 -3.466 -10.652 1.00 0.00 C ATOM 221 CD ARG A 15 10.351 -3.855 -11.561 1.00 0.00 C ATOM 222 NE ARG A 15 11.634 -3.726 -10.873 1.00 0.00 N ATOM 223 CZ ARG A 15 12.825 -3.830 -11.464 1.00 0.00 C ATOM 224 NH1 ARG A 15 12.917 -3.998 -12.778 1.00 0.00 N ATOM 225 NH2 ARG A 15 13.931 -3.747 -10.731 1.00 0.00 N ATOM 0 H ARG A 15 6.710 -3.469 -8.212 1.00 0.00 H new ATOM 0 HA ARG A 15 6.638 -2.461 -10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.865 -4.956 -11.413 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.714 -3.393 -12.191 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.208 -2.387 -10.496 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.335 -3.930 -9.675 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.219 -4.882 -11.900 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.346 -3.223 -12.449 1.00 0.00 H new ATOM 0 HE ARG A 15 11.617 -3.543 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.071 -4.049 -13.346 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.833 -4.076 -13.219 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.865 -3.605 -9.723 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.845 -3.826 -11.176 1.00 0.00 H new ATOM 239 N LYS A 16 4.984 -5.219 -10.813 1.00 0.00 N ATOM 240 CA LYS A 16 3.739 -5.741 -11.366 1.00 0.00 C ATOM 241 C LYS A 16 2.544 -5.355 -10.490 1.00 0.00 C ATOM 242 O LYS A 16 2.716 -4.966 -9.333 1.00 0.00 O ATOM 243 CB LYS A 16 3.819 -7.268 -11.496 1.00 0.00 C ATOM 244 CG LYS A 16 4.261 -7.766 -12.867 1.00 0.00 C ATOM 245 CD LYS A 16 5.655 -7.293 -13.242 1.00 0.00 C ATOM 246 CE LYS A 16 6.084 -7.870 -14.583 1.00 0.00 C ATOM 247 NZ LYS A 16 5.175 -7.456 -15.687 1.00 0.00 N ATOM 0 H LYS A 16 5.534 -5.910 -10.303 1.00 0.00 H new ATOM 0 HA LYS A 16 3.596 -5.302 -12.353 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.512 -7.648 -10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.840 -7.691 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.236 -8.856 -12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.551 -7.423 -13.620 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.673 -6.204 -13.288 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.364 -7.591 -12.470 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.100 -7.545 -14.809 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.104 -8.958 -14.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.608 -7.696 -16.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.266 -7.953 -15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.015 -6.430 -15.638 1.00 0.00 H new ATOM 261 N PRO A 17 1.318 -5.440 -11.038 1.00 0.00 N ATOM 262 CA PRO A 17 0.095 -5.174 -10.276 1.00 0.00 C ATOM 263 C PRO A 17 -0.257 -6.313 -9.318 1.00 0.00 C ATOM 264 O PRO A 17 0.179 -7.453 -9.498 1.00 0.00 O ATOM 265 CB PRO A 17 -0.974 -5.040 -11.362 1.00 0.00 C ATOM 266 CG PRO A 17 -0.472 -5.867 -12.492 1.00 0.00 C ATOM 267 CD PRO A 17 1.029 -5.778 -12.445 1.00 0.00 C ATOM 0 HA PRO A 17 0.194 -4.293 -9.642 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.942 -5.396 -11.010 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.106 -4.000 -11.661 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.804 -6.901 -12.395 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.854 -5.498 -13.444 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.495 -6.720 -12.734 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.406 -5.014 -13.125 1.00 0.00 H new ATOM 275 N LEU A 18 -1.054 -6.000 -8.308 1.00 0.00 N ATOM 276 CA LEU A 18 -1.431 -6.978 -7.301 1.00 0.00 C ATOM 277 C LEU A 18 -2.853 -7.475 -7.523 1.00 0.00 C ATOM 278 O LEU A 18 -3.721 -6.730 -7.978 1.00 0.00 O ATOM 279 CB LEU A 18 -1.302 -6.371 -5.904 1.00 0.00 C ATOM 280 CG LEU A 18 0.118 -5.969 -5.501 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.131 -5.372 -4.105 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.046 -7.169 -5.569 1.00 0.00 C ATOM 0 H LEU A 18 -1.453 -5.072 -8.164 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.755 -7.829 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.943 -5.491 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.680 -7.089 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 18 0.472 -5.213 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.150 -5.093 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.505 -4.487 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.243 -6.107 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.053 -6.867 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.690 -7.943 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.063 -7.559 -6.587 1.00 0.00 H new ATOM 294 N SER A 19 -3.077 -8.742 -7.203 1.00 0.00 N ATOM 295 CA SER A 19 -4.393 -9.345 -7.329 1.00 0.00 C ATOM 296 C SER A 19 -5.303 -8.887 -6.188 1.00 0.00 C ATOM 297 O SER A 19 -4.853 -8.725 -5.053 1.00 0.00 O ATOM 298 CB SER A 19 -4.263 -10.869 -7.317 1.00 0.00 C ATOM 299 OG SER A 19 -3.278 -11.306 -8.242 1.00 0.00 O ATOM 0 H SER A 19 -2.358 -9.374 -6.852 1.00 0.00 H new ATOM 0 HA SER A 19 -4.837 -9.028 -8.273 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.000 -11.207 -6.315 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.224 -11.321 -7.564 1.00 0.00 H new ATOM 0 HG SER A 19 -3.213 -12.283 -8.214 1.00 0.00 H new ATOM 305 N ASP A 20 -6.583 -8.696 -6.488 1.00 0.00 N ATOM 306 CA ASP A 20 -7.544 -8.207 -5.500 1.00 0.00 C ATOM 307 C ASP A 20 -7.685 -9.193 -4.340 1.00 0.00 C ATOM 308 O ASP A 20 -7.985 -8.800 -3.208 1.00 0.00 O ATOM 309 CB ASP A 20 -8.905 -7.968 -6.153 1.00 0.00 C ATOM 310 CG ASP A 20 -9.837 -7.144 -5.283 1.00 0.00 C ATOM 311 OD1 ASP A 20 -10.542 -7.728 -4.434 1.00 0.00 O ATOM 312 OD2 ASP A 20 -9.883 -5.904 -5.464 1.00 0.00 O ATOM 0 H ASP A 20 -6.982 -8.872 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.170 -7.262 -5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.761 -7.460 -7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.372 -8.928 -6.371 1.00 0.00 H new ATOM 317 N LYS A 21 -7.466 -10.476 -4.629 1.00 0.00 N ATOM 318 CA LYS A 21 -7.497 -11.515 -3.603 1.00 0.00 C ATOM 319 C LYS A 21 -6.500 -11.217 -2.484 1.00 0.00 C ATOM 320 O LYS A 21 -6.832 -11.313 -1.307 1.00 0.00 O ATOM 321 CB LYS A 21 -7.184 -12.883 -4.212 1.00 0.00 C ATOM 322 CG LYS A 21 -8.215 -13.365 -5.220 1.00 0.00 C ATOM 323 CD LYS A 21 -7.850 -14.734 -5.780 1.00 0.00 C ATOM 324 CE LYS A 21 -7.874 -15.808 -4.704 1.00 0.00 C ATOM 325 NZ LYS A 21 -7.433 -17.127 -5.227 1.00 0.00 N ATOM 0 H LYS A 21 -7.265 -10.820 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.502 -11.529 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.210 -12.838 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.106 -13.617 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.195 -13.414 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.292 -12.646 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.547 -15.000 -6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.857 -14.691 -6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.227 -15.510 -3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.883 -15.896 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.464 -17.831 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.065 -17.424 -5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.461 -17.050 -5.588 1.00 0.00 H new ATOM 339 N LEU A 22 -5.277 -10.858 -2.850 1.00 0.00 N ATOM 340 CA LEU A 22 -4.271 -10.525 -1.850 1.00 0.00 C ATOM 341 C LEU A 22 -4.550 -9.152 -1.258 1.00 0.00 C ATOM 342 O LEU A 22 -4.209 -8.879 -0.107 1.00 0.00 O ATOM 343 CB LEU A 22 -2.843 -10.626 -2.429 1.00 0.00 C ATOM 344 CG LEU A 22 -2.466 -9.635 -3.537 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.003 -8.308 -2.950 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.389 -10.229 -4.432 1.00 0.00 C ATOM 0 H LEU A 22 -4.960 -10.790 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.332 -11.256 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.136 -10.501 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.706 -11.635 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.354 -9.443 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.742 -7.624 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.805 -7.875 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.130 -8.474 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.131 -9.515 -5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.503 -10.451 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.760 -11.147 -4.887 1.00 0.00 H new ATOM 358 N LEU A 23 -5.193 -8.297 -2.045 1.00 0.00 N ATOM 359 CA LEU A 23 -5.504 -6.943 -1.613 1.00 0.00 C ATOM 360 C LEU A 23 -6.488 -6.953 -0.443 1.00 0.00 C ATOM 361 O LEU A 23 -6.332 -6.201 0.511 1.00 0.00 O ATOM 362 CB LEU A 23 -6.054 -6.119 -2.785 1.00 0.00 C ATOM 363 CG LEU A 23 -5.037 -5.787 -3.883 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.694 -5.003 -5.012 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.870 -5.004 -3.303 1.00 0.00 C ATOM 0 H LEU A 23 -5.509 -8.520 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.582 -6.475 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.884 -6.664 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.460 -5.186 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.660 -6.724 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.953 -4.779 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.498 -5.596 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.102 -4.072 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.156 -4.775 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.236 -4.075 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.380 -5.599 -2.533 1.00 0.00 H new ATOM 377 N ARG A 24 -7.476 -7.838 -0.488 1.00 0.00 N ATOM 378 CA ARG A 24 -8.464 -7.934 0.593 1.00 0.00 C ATOM 379 C ARG A 24 -7.846 -8.553 1.851 1.00 0.00 C ATOM 380 O ARG A 24 -8.524 -8.779 2.852 1.00 0.00 O ATOM 381 CB ARG A 24 -9.676 -8.750 0.135 1.00 0.00 C ATOM 382 CG ARG A 24 -9.352 -10.193 -0.211 1.00 0.00 C ATOM 383 CD ARG A 24 -10.509 -10.864 -0.928 1.00 0.00 C ATOM 384 NE ARG A 24 -10.808 -10.213 -2.203 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.831 -10.544 -2.989 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.675 -11.503 -2.620 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.018 -9.899 -4.131 1.00 0.00 N ATOM 0 H ARG A 24 -7.619 -8.497 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.794 -6.925 0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.430 -8.736 0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.117 -8.268 -0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.463 -10.227 -0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.118 -10.744 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.269 -11.913 -1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.394 -10.841 -0.292 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.195 -9.458 -2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.540 -11.988 -1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.457 -11.754 -3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.380 -9.152 -4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.800 -10.149 -4.736 1.00 0.00 H new ATOM 401 N LYS A 25 -6.550 -8.812 1.783 1.00 0.00 N ATOM 402 CA LYS A 25 -5.797 -9.363 2.903 1.00 0.00 C ATOM 403 C LYS A 25 -4.733 -8.378 3.383 1.00 0.00 C ATOM 404 O LYS A 25 -3.899 -8.707 4.235 1.00 0.00 O ATOM 405 CB LYS A 25 -5.142 -10.679 2.511 1.00 0.00 C ATOM 406 CG LYS A 25 -6.144 -11.780 2.233 1.00 0.00 C ATOM 407 CD LYS A 25 -5.451 -13.095 1.951 1.00 0.00 C ATOM 408 CE LYS A 25 -4.555 -12.996 0.738 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.845 -14.270 0.462 1.00 0.00 N ATOM 0 H LYS A 25 -5.987 -8.646 0.948 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.497 -9.544 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.527 -10.523 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.473 -10.998 3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.810 -11.893 3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.765 -11.503 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.861 -13.390 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.196 -13.874 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.152 -12.719 -0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.825 -12.201 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.242 -14.157 -0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.255 -14.523 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.540 -15.024 0.290 1.00 0.00 H new ATOM 423 N VAL A 26 -4.754 -7.177 2.823 1.00 0.00 N ATOM 424 CA VAL A 26 -3.864 -6.113 3.265 1.00 0.00 C ATOM 425 C VAL A 26 -4.393 -5.542 4.576 1.00 0.00 C ATOM 426 O VAL A 26 -5.589 -5.627 4.850 1.00 0.00 O ATOM 427 CB VAL A 26 -3.749 -4.988 2.203 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.759 -3.920 2.638 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.338 -5.559 0.857 1.00 0.00 C ATOM 0 H VAL A 26 -5.379 -6.915 2.060 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.867 -6.529 3.410 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.732 -4.526 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.700 -3.145 1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.090 -3.478 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.776 -4.370 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.263 -4.753 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.371 -6.054 0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.084 -6.281 0.525 1.00 0.00 H new ATOM 439 N ILE A 27 -3.515 -4.999 5.406 1.00 0.00 N ATOM 440 CA ILE A 27 -3.942 -4.420 6.669 1.00 0.00 C ATOM 441 C ILE A 27 -3.508 -2.966 6.786 1.00 0.00 C ATOM 442 O ILE A 27 -4.198 -2.156 7.397 1.00 0.00 O ATOM 443 CB ILE A 27 -3.405 -5.213 7.885 1.00 0.00 C ATOM 444 CG1 ILE A 27 -1.876 -5.327 7.832 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.052 -6.591 7.944 1.00 0.00 C ATOM 446 CD1 ILE A 27 -1.271 -6.036 9.023 1.00 0.00 C ATOM 0 H ILE A 27 -2.512 -4.948 5.230 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.031 -4.473 6.677 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.667 -4.671 8.794 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.593 -5.858 6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.449 -4.326 7.762 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.665 -7.138 8.804 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.132 -6.482 8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.822 -7.140 7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.188 -6.076 8.911 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.522 -5.494 9.935 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.667 -7.050 9.083 1.00 0.00 H new ATOM 458 N GLN A 28 -2.371 -2.636 6.184 1.00 0.00 N ATOM 459 CA GLN A 28 -1.809 -1.299 6.304 1.00 0.00 C ATOM 460 C GLN A 28 -1.246 -0.807 4.979 1.00 0.00 C ATOM 461 O GLN A 28 -0.840 -1.595 4.129 1.00 0.00 O ATOM 462 CB GLN A 28 -0.707 -1.280 7.369 1.00 0.00 C ATOM 463 CG GLN A 28 -1.235 -1.423 8.785 1.00 0.00 C ATOM 464 CD GLN A 28 -2.165 -0.288 9.166 1.00 0.00 C ATOM 465 OE1 GLN A 28 -1.998 0.843 8.714 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.159 -0.588 9.982 1.00 0.00 N ATOM 0 H GLN A 28 -1.822 -3.276 5.609 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.616 -0.629 6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.004 -2.088 7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.151 -0.346 7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.764 -2.371 8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.398 -1.454 9.482 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.260 -1.540 10.334 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.825 0.132 10.260 1.00 0.00 H new ATOM 475 N VAL A 29 -1.237 0.504 4.813 1.00 0.00 N ATOM 476 CA VAL A 29 -0.624 1.135 3.654 1.00 0.00 C ATOM 477 C VAL A 29 0.416 2.140 4.130 1.00 0.00 C ATOM 478 O VAL A 29 0.164 2.902 5.066 1.00 0.00 O ATOM 479 CB VAL A 29 -1.671 1.842 2.762 1.00 0.00 C ATOM 480 CG1 VAL A 29 -1.008 2.554 1.588 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.702 0.842 2.265 1.00 0.00 C ATOM 0 H VAL A 29 -1.652 1.160 5.474 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.153 0.360 3.050 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.175 2.596 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.771 3.041 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.310 3.303 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.468 1.828 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.433 1.354 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.205 0.066 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.209 0.388 3.117 1.00 0.00 H new ATOM 491 N GLU A 30 1.583 2.123 3.515 1.00 0.00 N ATOM 492 CA GLU A 30 2.686 2.955 3.967 1.00 0.00 C ATOM 493 C GLU A 30 3.400 3.634 2.809 1.00 0.00 C ATOM 494 O GLU A 30 3.572 3.055 1.737 1.00 0.00 O ATOM 495 CB GLU A 30 3.665 2.107 4.779 1.00 0.00 C ATOM 496 CG GLU A 30 4.004 0.776 4.123 1.00 0.00 C ATOM 497 CD GLU A 30 4.098 -0.350 5.135 1.00 0.00 C ATOM 498 OE1 GLU A 30 3.239 -0.411 6.041 1.00 0.00 O ATOM 499 OE2 GLU A 30 5.023 -1.182 5.039 1.00 0.00 O ATOM 0 H GLU A 30 1.793 1.544 2.702 1.00 0.00 H new ATOM 0 HA GLU A 30 2.278 3.746 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.584 2.673 4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.240 1.919 5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.243 0.534 3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.951 0.865 3.591 1.00 0.00 H new ATOM 506 N LEU A 31 3.798 4.872 3.032 1.00 0.00 N ATOM 507 CA LEU A 31 4.553 5.626 2.050 1.00 0.00 C ATOM 508 C LEU A 31 5.998 5.765 2.502 1.00 0.00 C ATOM 509 O LEU A 31 6.276 6.379 3.533 1.00 0.00 O ATOM 510 CB LEU A 31 3.926 7.010 1.852 1.00 0.00 C ATOM 511 CG LEU A 31 4.736 7.986 0.993 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.875 7.473 -0.431 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.084 9.358 1.009 1.00 0.00 C ATOM 0 H LEU A 31 3.608 5.381 3.895 1.00 0.00 H new ATOM 0 HA LEU A 31 4.530 5.092 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.944 6.883 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.768 7.461 2.832 1.00 0.00 H new ATOM 0 HG LEU A 31 5.737 8.069 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.454 8.185 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.385 6.510 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.886 7.356 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.667 10.045 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.072 9.285 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.044 9.730 2.033 1.00 0.00 H new ATOM 525 N GLN A 32 6.910 5.179 1.745 1.00 0.00 N ATOM 526 CA GLN A 32 8.325 5.310 2.037 1.00 0.00 C ATOM 527 C GLN A 32 8.796 6.706 1.667 1.00 0.00 C ATOM 528 O GLN A 32 8.927 7.033 0.485 1.00 0.00 O ATOM 529 CB GLN A 32 9.145 4.263 1.272 1.00 0.00 C ATOM 530 CG GLN A 32 10.640 4.344 1.548 1.00 0.00 C ATOM 531 CD GLN A 32 11.450 3.373 0.708 1.00 0.00 C ATOM 532 OE1 GLN A 32 12.495 2.886 1.134 1.00 0.00 O ATOM 533 NE2 GLN A 32 10.986 3.096 -0.502 1.00 0.00 N ATOM 0 H GLN A 32 6.696 4.610 0.926 1.00 0.00 H new ATOM 0 HA GLN A 32 8.473 5.145 3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.788 3.268 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.973 4.389 0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.985 5.360 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.821 4.142 2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.115 3.518 -0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.500 2.460 -1.112 1.00 0.00 H new ATOM 542 N GLU A 33 8.998 7.533 2.680 1.00 0.00 N ATOM 543 CA GLU A 33 9.544 8.861 2.478 1.00 0.00 C ATOM 544 C GLU A 33 11.031 8.745 2.179 1.00 0.00 C ATOM 545 O GLU A 33 11.784 8.186 2.978 1.00 0.00 O ATOM 546 CB GLU A 33 9.277 9.744 3.700 1.00 0.00 C ATOM 547 CG GLU A 33 7.793 9.978 3.946 1.00 0.00 C ATOM 548 CD GLU A 33 7.520 10.837 5.164 1.00 0.00 C ATOM 549 OE1 GLU A 33 7.983 11.996 5.198 1.00 0.00 O ATOM 550 OE2 GLU A 33 6.837 10.360 6.092 1.00 0.00 O ATOM 0 H GLU A 33 8.791 7.305 3.652 1.00 0.00 H new ATOM 0 HA GLU A 33 9.055 9.337 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.718 9.279 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.774 10.705 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.356 10.454 3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.295 9.016 4.068 1.00 0.00 H new ATOM 557 N ALA A 34 11.430 9.303 1.040 1.00 0.00 N ATOM 558 CA ALA A 34 12.721 9.024 0.399 1.00 0.00 C ATOM 559 C ALA A 34 13.932 9.602 1.136 1.00 0.00 C ATOM 560 O ALA A 34 14.952 9.894 0.508 1.00 0.00 O ATOM 561 CB ALA A 34 12.694 9.552 -1.027 1.00 0.00 C ATOM 0 H ALA A 34 10.860 9.973 0.524 1.00 0.00 H new ATOM 0 HA ALA A 34 12.847 7.942 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.650 9.348 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.896 9.060 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.517 10.627 -1.013 1.00 0.00 H new ATOM 567 N ASP A 35 13.847 9.723 2.452 1.00 0.00 N ATOM 568 CA ASP A 35 14.938 10.295 3.236 1.00 0.00 C ATOM 569 C ASP A 35 14.625 10.261 4.725 1.00 0.00 C ATOM 570 O ASP A 35 15.502 9.982 5.544 1.00 0.00 O ATOM 571 CB ASP A 35 15.221 11.737 2.799 1.00 0.00 C ATOM 572 CG ASP A 35 16.408 12.337 3.519 1.00 0.00 C ATOM 573 OD1 ASP A 35 17.554 11.924 3.232 1.00 0.00 O ATOM 574 OD2 ASP A 35 16.204 13.232 4.362 1.00 0.00 O ATOM 0 H ASP A 35 13.037 9.434 3.001 1.00 0.00 H new ATOM 0 HA ASP A 35 15.825 9.687 3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.403 11.759 1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.339 12.350 2.986 1.00 0.00 H new ATOM 579 N GLY A 36 13.372 10.543 5.065 1.00 0.00 N ATOM 580 CA GLY A 36 12.959 10.592 6.460 1.00 0.00 C ATOM 581 C GLY A 36 13.171 9.282 7.194 1.00 0.00 C ATOM 582 O GLY A 36 13.395 9.265 8.408 1.00 0.00 O ATOM 0 H GLY A 36 12.628 10.740 4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.515 11.380 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.904 10.862 6.510 1.00 0.00 H new ATOM 586 N ASP A 37 13.094 8.180 6.467 1.00 0.00 N ATOM 587 CA ASP A 37 13.331 6.872 7.056 1.00 0.00 C ATOM 588 C ASP A 37 14.381 6.126 6.245 1.00 0.00 C ATOM 589 O ASP A 37 15.373 5.637 6.787 1.00 0.00 O ATOM 590 CB ASP A 37 12.031 6.069 7.120 1.00 0.00 C ATOM 591 CG ASP A 37 12.109 4.924 8.108 1.00 0.00 C ATOM 592 OD1 ASP A 37 12.350 5.184 9.309 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.914 3.763 7.703 1.00 0.00 O ATOM 0 H ASP A 37 12.870 8.164 5.472 1.00 0.00 H new ATOM 0 HA ASP A 37 13.698 7.003 8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.211 6.731 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.800 5.676 6.130 1.00 0.00 H new ATOM 598 N CYS A 38 14.162 6.069 4.939 1.00 0.00 N ATOM 599 CA CYS A 38 15.108 5.461 4.014 1.00 0.00 C ATOM 600 C CYS A 38 15.029 6.146 2.658 1.00 0.00 C ATOM 601 O CYS A 38 14.054 6.829 2.370 1.00 0.00 O ATOM 602 CB CYS A 38 14.829 3.968 3.859 1.00 0.00 C ATOM 603 SG CYS A 38 15.618 2.927 5.138 1.00 0.00 S ATOM 0 H CYS A 38 13.325 6.442 4.491 1.00 0.00 H new ATOM 0 HA CYS A 38 16.112 5.586 4.420 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.752 3.805 3.887 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.175 3.644 2.877 1.00 0.00 H new ATOM 608 N HIS A 39 16.057 5.971 1.832 1.00 0.00 N ATOM 609 CA HIS A 39 16.074 6.580 0.502 1.00 0.00 C ATOM 610 C HIS A 39 15.100 5.863 -0.425 1.00 0.00 C ATOM 611 O HIS A 39 14.668 4.753 -0.121 1.00 0.00 O ATOM 612 CB HIS A 39 17.491 6.573 -0.096 1.00 0.00 C ATOM 613 CG HIS A 39 18.068 5.207 -0.342 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.056 4.663 0.444 1.00 0.00 N ATOM 615 CD2 HIS A 39 17.816 4.293 -1.309 1.00 0.00 C ATOM 616 CE1 HIS A 39 19.390 3.477 -0.025 1.00 0.00 C ATOM 617 NE2 HIS A 39 18.651 3.224 -1.091 1.00 0.00 N ATOM 0 H HIS A 39 16.884 5.417 2.056 1.00 0.00 H new ATOM 0 HA HIS A 39 15.759 7.618 0.604 1.00 0.00 H new ATOM 0 HB2 HIS A 39 17.474 7.119 -1.039 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.156 7.117 0.576 1.00 0.00 H new ATOM 0 HD2 HIS A 39 17.092 4.387 -2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 39 20.141 2.822 0.392 1.00 0.00 H new ATOM 0 HE2 HIS A 39 18.693 2.377 -1.657 1.00 0.00 H new ATOM 626 N LEU A 40 14.796 6.498 -1.564 1.00 0.00 N ATOM 627 CA LEU A 40 13.825 5.981 -2.536 1.00 0.00 C ATOM 628 C LEU A 40 12.395 6.148 -2.014 1.00 0.00 C ATOM 629 O LEU A 40 12.100 5.843 -0.865 1.00 0.00 O ATOM 630 CB LEU A 40 14.114 4.510 -2.890 1.00 0.00 C ATOM 631 CG LEU A 40 13.108 3.836 -3.828 1.00 0.00 C ATOM 632 CD1 LEU A 40 13.014 4.583 -5.151 1.00 0.00 C ATOM 633 CD2 LEU A 40 13.503 2.384 -4.064 1.00 0.00 C ATOM 0 H LEU A 40 15.217 7.386 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 40 13.925 6.565 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.102 4.454 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.159 3.936 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 40 12.126 3.862 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.293 4.085 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.690 5.608 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.991 4.592 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.781 1.915 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.494 2.345 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.517 1.852 -3.113 1.00 0.00 H new ATOM 645 N GLN A 41 11.517 6.666 -2.858 1.00 0.00 N ATOM 646 CA GLN A 41 10.126 6.865 -2.479 1.00 0.00 C ATOM 647 C GLN A 41 9.270 5.743 -3.050 1.00 0.00 C ATOM 648 O GLN A 41 9.415 5.381 -4.220 1.00 0.00 O ATOM 649 CB GLN A 41 9.629 8.218 -2.986 1.00 0.00 C ATOM 650 CG GLN A 41 8.267 8.619 -2.441 1.00 0.00 C ATOM 651 CD GLN A 41 7.724 9.875 -3.093 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.981 10.140 -4.270 1.00 0.00 O ATOM 653 NE2 GLN A 41 6.989 10.671 -2.332 1.00 0.00 N ATOM 0 H GLN A 41 11.742 6.956 -3.810 1.00 0.00 H new ATOM 0 HA GLN A 41 10.049 6.852 -1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.356 8.984 -2.718 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.580 8.191 -4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.563 7.801 -2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.342 8.776 -1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.799 10.417 -1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.613 11.538 -2.715 1.00 0.00 H new ATOM 662 N ALA A 42 8.384 5.189 -2.232 1.00 0.00 N ATOM 663 CA ALA A 42 7.545 4.084 -2.672 1.00 0.00 C ATOM 664 C ALA A 42 6.251 3.997 -1.879 1.00 0.00 C ATOM 665 O ALA A 42 6.207 4.341 -0.698 1.00 0.00 O ATOM 666 CB ALA A 42 8.298 2.769 -2.556 1.00 0.00 C ATOM 0 H ALA A 42 8.229 5.484 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 42 7.289 4.273 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.657 1.952 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.192 2.806 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.585 2.605 -1.517 1.00 0.00 H new ATOM 672 N PHE A 43 5.208 3.533 -2.545 1.00 0.00 N ATOM 673 CA PHE A 43 3.947 3.228 -1.895 1.00 0.00 C ATOM 674 C PHE A 43 3.888 1.738 -1.610 1.00 0.00 C ATOM 675 O PHE A 43 3.740 0.921 -2.518 1.00 0.00 O ATOM 676 CB PHE A 43 2.766 3.640 -2.770 1.00 0.00 C ATOM 677 CG PHE A 43 2.454 5.104 -2.729 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.081 5.986 -3.589 1.00 0.00 C ATOM 679 CD2 PHE A 43 1.531 5.593 -1.822 1.00 0.00 C ATOM 680 CE1 PHE A 43 2.791 7.335 -3.549 1.00 0.00 C ATOM 681 CE2 PHE A 43 1.235 6.942 -1.774 1.00 0.00 C ATOM 682 CZ PHE A 43 1.868 7.815 -2.639 1.00 0.00 C ATOM 0 H PHE A 43 5.212 3.358 -3.550 1.00 0.00 H new ATOM 0 HA PHE A 43 3.884 3.789 -0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.974 3.353 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.883 3.083 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.805 5.616 -4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.036 4.913 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.285 8.015 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.512 7.313 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.642 8.870 -2.604 1.00 0.00 H new ATOM 692 N VAL A 44 4.019 1.390 -0.352 1.00 0.00 N ATOM 693 CA VAL A 44 4.143 0.004 0.037 1.00 0.00 C ATOM 694 C VAL A 44 2.861 -0.496 0.683 1.00 0.00 C ATOM 695 O VAL A 44 2.258 0.184 1.517 1.00 0.00 O ATOM 696 CB VAL A 44 5.338 -0.179 0.990 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.533 -1.644 1.365 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.591 0.391 0.343 1.00 0.00 C ATOM 0 H VAL A 44 4.043 2.051 0.424 1.00 0.00 H new ATOM 0 HA VAL A 44 4.320 -0.589 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 44 5.135 0.362 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.385 -1.737 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.636 -2.015 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.718 -2.229 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.439 0.263 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.788 -0.133 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.446 1.452 0.141 1.00 0.00 H new ATOM 708 N LEU A 45 2.435 -1.676 0.275 1.00 0.00 N ATOM 709 CA LEU A 45 1.207 -2.253 0.781 1.00 0.00 C ATOM 710 C LEU A 45 1.527 -3.373 1.756 1.00 0.00 C ATOM 711 O LEU A 45 2.182 -4.361 1.406 1.00 0.00 O ATOM 712 CB LEU A 45 0.345 -2.751 -0.380 1.00 0.00 C ATOM 713 CG LEU A 45 0.028 -1.684 -1.430 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.878 -2.238 -2.516 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.604 -0.464 -0.780 1.00 0.00 C ATOM 0 H LEU A 45 2.924 -2.255 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 45 0.640 -1.491 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.856 -3.582 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.591 -3.141 0.019 1.00 0.00 H new ATOM 0 HG LEU A 45 0.966 -1.382 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.087 -1.458 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.385 -3.076 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.813 -2.578 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.822 0.283 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.529 -0.755 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.085 -0.044 -0.047 1.00 0.00 H new ATOM 727 N HIS A 46 1.073 -3.206 2.985 1.00 0.00 N ATOM 728 CA HIS A 46 1.440 -4.105 4.064 1.00 0.00 C ATOM 729 C HIS A 46 0.290 -5.049 4.389 1.00 0.00 C ATOM 730 O HIS A 46 -0.717 -4.646 4.968 1.00 0.00 O ATOM 731 CB HIS A 46 1.827 -3.292 5.302 1.00 0.00 C ATOM 732 CG HIS A 46 2.881 -3.936 6.147 1.00 0.00 C ATOM 733 ND1 HIS A 46 4.174 -3.460 6.223 1.00 0.00 N ATOM 734 CD2 HIS A 46 2.831 -5.013 6.963 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.872 -4.220 7.046 1.00 0.00 C ATOM 736 NE2 HIS A 46 4.079 -5.168 7.509 1.00 0.00 N ATOM 0 H HIS A 46 0.445 -2.451 3.262 1.00 0.00 H new ATOM 0 HA HIS A 46 2.294 -4.705 3.749 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.180 -2.311 4.984 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.937 -3.129 5.910 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.534 -2.648 5.722 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.968 -5.635 7.150 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.914 -4.089 7.298 1.00 0.00 H new ATOM 745 N LEU A 47 0.444 -6.303 4.005 1.00 0.00 N ATOM 746 CA LEU A 47 -0.577 -7.309 4.250 1.00 0.00 C ATOM 747 C LEU A 47 -0.372 -7.936 5.618 1.00 0.00 C ATOM 748 O LEU A 47 0.682 -7.777 6.227 1.00 0.00 O ATOM 749 CB LEU A 47 -0.543 -8.407 3.183 1.00 0.00 C ATOM 750 CG LEU A 47 -0.996 -8.005 1.775 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.019 -7.091 1.107 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.234 -9.250 0.932 1.00 0.00 C ATOM 0 H LEU A 47 1.270 -6.652 3.520 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.547 -6.814 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.476 -8.788 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.171 -9.231 3.521 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.930 -7.450 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.332 -6.824 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.141 -6.186 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.976 -7.606 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.556 -8.957 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.310 -9.824 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.007 -9.862 1.397 1.00 0.00 H new ATOM 764 N ALA A 48 -1.367 -8.683 6.076 1.00 0.00 N ATOM 765 CA ALA A 48 -1.318 -9.295 7.402 1.00 0.00 C ATOM 766 C ALA A 48 -0.161 -10.282 7.514 1.00 0.00 C ATOM 767 O ALA A 48 0.368 -10.520 8.595 1.00 0.00 O ATOM 768 CB ALA A 48 -2.636 -9.988 7.711 1.00 0.00 C ATOM 0 H ALA A 48 -2.219 -8.881 5.551 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.154 -8.503 8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.586 -10.440 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.445 -9.258 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.822 -10.763 6.968 1.00 0.00 H new ATOM 774 N GLN A 49 0.240 -10.837 6.384 1.00 0.00 N ATOM 775 CA GLN A 49 1.307 -11.821 6.356 1.00 0.00 C ATOM 776 C GLN A 49 2.293 -11.540 5.230 1.00 0.00 C ATOM 777 O GLN A 49 3.166 -12.356 4.947 1.00 0.00 O ATOM 778 CB GLN A 49 0.755 -13.251 6.225 1.00 0.00 C ATOM 779 CG GLN A 49 -0.645 -13.387 5.618 1.00 0.00 C ATOM 780 CD GLN A 49 -0.802 -12.760 4.243 1.00 0.00 C ATOM 781 OE1 GLN A 49 -0.382 -13.325 3.237 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.506 -11.634 4.179 1.00 0.00 N ATOM 0 H GLN A 49 -0.159 -10.622 5.470 1.00 0.00 H new ATOM 0 HA GLN A 49 1.834 -11.742 7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.449 -13.831 5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.744 -13.705 7.216 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.896 -14.446 5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.366 -12.930 6.296 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.839 -11.192 5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.713 -11.213 3.273 1.00 0.00 H new ATOM 791 N ARG A 50 2.163 -10.377 4.602 1.00 0.00 N ATOM 792 CA ARG A 50 2.990 -10.040 3.448 1.00 0.00 C ATOM 793 C ARG A 50 3.295 -8.553 3.399 1.00 0.00 C ATOM 794 O ARG A 50 2.726 -7.765 4.149 1.00 0.00 O ATOM 795 CB ARG A 50 2.291 -10.443 2.150 1.00 0.00 C ATOM 796 CG ARG A 50 2.231 -11.937 1.927 1.00 0.00 C ATOM 797 CD ARG A 50 1.594 -12.270 0.590 1.00 0.00 C ATOM 798 NE ARG A 50 1.823 -13.661 0.211 1.00 0.00 N ATOM 799 CZ ARG A 50 1.915 -14.083 -1.049 1.00 0.00 C ATOM 800 NH1 ARG A 50 1.757 -13.226 -2.054 1.00 0.00 N ATOM 801 NH2 ARG A 50 2.165 -15.360 -1.300 1.00 0.00 N ATOM 0 H ARG A 50 1.496 -9.654 4.871 1.00 0.00 H new ATOM 0 HA ARG A 50 3.925 -10.590 3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.276 -10.045 2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.810 -9.980 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.238 -12.353 1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.661 -12.404 2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.522 -12.079 0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.999 -11.612 -0.179 1.00 0.00 H new ATOM 0 HE ARG A 50 1.918 -14.351 0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.565 -12.243 -1.861 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.828 -13.552 -3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.286 -16.017 -0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.236 -15.686 -2.264 1.00 0.00 H new ATOM 815 N SER A 51 4.196 -8.181 2.512 1.00 0.00 N ATOM 816 CA SER A 51 4.489 -6.785 2.240 1.00 0.00 C ATOM 817 C SER A 51 4.980 -6.643 0.802 1.00 0.00 C ATOM 818 O SER A 51 5.950 -7.288 0.407 1.00 0.00 O ATOM 819 CB SER A 51 5.546 -6.256 3.216 1.00 0.00 C ATOM 820 OG SER A 51 5.126 -6.418 4.560 1.00 0.00 O ATOM 0 H SER A 51 4.747 -8.837 1.958 1.00 0.00 H new ATOM 0 HA SER A 51 3.580 -6.198 2.373 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.487 -6.784 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.735 -5.201 3.015 1.00 0.00 H new ATOM 0 HG SER A 51 5.818 -6.074 5.163 1.00 0.00 H new ATOM 826 N ILE A 52 4.298 -5.818 0.021 1.00 0.00 N ATOM 827 CA ILE A 52 4.679 -5.596 -1.370 1.00 0.00 C ATOM 828 C ILE A 52 5.055 -4.138 -1.570 1.00 0.00 C ATOM 829 O ILE A 52 4.308 -3.239 -1.178 1.00 0.00 O ATOM 830 CB ILE A 52 3.551 -5.979 -2.368 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.325 -7.498 -2.408 1.00 0.00 C ATOM 832 CG2 ILE A 52 3.867 -5.463 -3.766 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.465 -8.025 -1.280 1.00 0.00 C ATOM 0 H ILE A 52 3.479 -5.291 0.324 1.00 0.00 H new ATOM 0 HA ILE A 52 5.531 -6.243 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 52 2.633 -5.508 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.860 -7.760 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.292 -7.999 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.064 -5.743 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.960 -4.377 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.804 -5.899 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.354 -9.105 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.938 -7.797 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.483 -7.554 -1.321 1.00 0.00 H new ATOM 845 N CYS A 53 6.200 -3.906 -2.188 1.00 0.00 N ATOM 846 CA CYS A 53 6.678 -2.553 -2.385 1.00 0.00 C ATOM 847 C CYS A 53 6.438 -2.114 -3.822 1.00 0.00 C ATOM 848 O CYS A 53 6.909 -2.746 -4.773 1.00 0.00 O ATOM 849 CB CYS A 53 8.163 -2.453 -2.037 1.00 0.00 C ATOM 850 SG CYS A 53 8.784 -0.744 -1.978 1.00 0.00 S ATOM 0 H CYS A 53 6.811 -4.633 -2.559 1.00 0.00 H new ATOM 0 HA CYS A 53 6.125 -1.889 -1.721 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.334 -2.926 -1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.739 -3.015 -2.773 1.00 0.00 H new ATOM 855 N ILE A 54 5.690 -1.034 -3.965 1.00 0.00 N ATOM 856 CA ILE A 54 5.322 -0.507 -5.265 1.00 0.00 C ATOM 857 C ILE A 54 5.813 0.932 -5.413 1.00 0.00 C ATOM 858 O ILE A 54 5.712 1.726 -4.482 1.00 0.00 O ATOM 859 CB ILE A 54 3.786 -0.566 -5.450 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.326 -2.002 -5.732 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.333 0.373 -6.549 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.826 -2.137 -5.932 1.00 0.00 C ATOM 0 H ILE A 54 5.320 -0.497 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 54 5.794 -1.118 -6.034 1.00 0.00 H new ATOM 0 HB ILE A 54 3.323 -0.238 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.836 -2.369 -6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.632 -2.641 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.250 0.311 -6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.614 1.395 -6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.808 0.090 -7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.577 -3.180 -6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.308 -1.802 -5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.515 -1.526 -6.779 1.00 0.00 H new ATOM 874 N HIS A 55 6.367 1.267 -6.571 1.00 0.00 N ATOM 875 CA HIS A 55 6.818 2.632 -6.810 1.00 0.00 C ATOM 876 C HIS A 55 5.614 3.530 -7.101 1.00 0.00 C ATOM 877 O HIS A 55 4.599 3.059 -7.616 1.00 0.00 O ATOM 878 CB HIS A 55 7.834 2.693 -7.966 1.00 0.00 C ATOM 879 CG HIS A 55 7.226 2.684 -9.341 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.044 3.831 -10.078 1.00 0.00 N ATOM 881 CD2 HIS A 55 6.763 1.670 -10.108 1.00 0.00 C ATOM 882 CE1 HIS A 55 6.493 3.526 -11.236 1.00 0.00 C ATOM 883 NE2 HIS A 55 6.315 2.221 -11.284 1.00 0.00 N ATOM 0 H HIS A 55 6.514 0.624 -7.349 1.00 0.00 H new ATOM 0 HA HIS A 55 7.323 2.990 -5.913 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.435 3.596 -7.856 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.514 1.845 -7.879 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.748 0.623 -9.845 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.231 4.227 -12.014 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.911 1.705 -12.066 1.00 0.00 H new ATOM 892 N PRO A 56 5.707 4.825 -6.771 1.00 0.00 N ATOM 893 CA PRO A 56 4.613 5.778 -6.990 1.00 0.00 C ATOM 894 C PRO A 56 4.190 5.845 -8.457 1.00 0.00 C ATOM 895 O PRO A 56 4.996 5.595 -9.354 1.00 0.00 O ATOM 896 CB PRO A 56 5.203 7.121 -6.547 1.00 0.00 C ATOM 897 CG PRO A 56 6.341 6.771 -5.652 1.00 0.00 C ATOM 898 CD PRO A 56 6.884 5.466 -6.162 1.00 0.00 C ATOM 0 HA PRO A 56 3.715 5.493 -6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.541 7.705 -7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.461 7.724 -6.023 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.106 7.547 -5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.010 6.678 -4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.681 5.619 -6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.300 4.861 -5.356 1.00 0.00 H new ATOM 906 N GLN A 57 2.927 6.197 -8.681 1.00 0.00 N ATOM 907 CA GLN A 57 2.337 6.219 -10.018 1.00 0.00 C ATOM 908 C GLN A 57 2.283 4.806 -10.595 1.00 0.00 C ATOM 909 O GLN A 57 3.030 4.447 -11.509 1.00 0.00 O ATOM 910 CB GLN A 57 3.102 7.169 -10.952 1.00 0.00 C ATOM 911 CG GLN A 57 2.430 7.375 -12.299 1.00 0.00 C ATOM 912 CD GLN A 57 3.147 8.391 -13.165 1.00 0.00 C ATOM 913 OE1 GLN A 57 2.523 9.087 -13.964 1.00 0.00 O ATOM 914 NE2 GLN A 57 4.460 8.484 -13.021 1.00 0.00 N ATOM 0 H GLN A 57 2.283 6.475 -7.941 1.00 0.00 H new ATOM 0 HA GLN A 57 1.318 6.598 -9.934 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.214 8.135 -10.460 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.106 6.775 -11.113 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.385 6.422 -12.827 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.402 7.701 -12.141 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.943 7.889 -12.347 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.989 9.150 -13.584 1.00 0.00 H new ATOM 923 N ASN A 58 1.409 3.999 -10.021 1.00 0.00 N ATOM 924 CA ASN A 58 1.219 2.627 -10.455 1.00 0.00 C ATOM 925 C ASN A 58 -0.263 2.290 -10.448 1.00 0.00 C ATOM 926 O ASN A 58 -0.961 2.594 -9.478 1.00 0.00 O ATOM 927 CB ASN A 58 1.983 1.669 -9.539 1.00 0.00 C ATOM 928 CG ASN A 58 1.766 0.214 -9.905 1.00 0.00 C ATOM 929 OD1 ASN A 58 0.861 -0.442 -9.390 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.580 -0.294 -10.814 1.00 0.00 N ATOM 0 H ASN A 58 0.812 4.276 -9.242 1.00 0.00 H new ATOM 0 HA ASN A 58 1.606 2.518 -11.468 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.048 1.897 -9.588 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.669 1.831 -8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.470 -1.263 -11.112 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.318 0.283 -11.217 1.00 0.00 H new ATOM 937 N PRO A 59 -0.763 1.672 -11.532 1.00 0.00 N ATOM 938 CA PRO A 59 -2.169 1.293 -11.664 1.00 0.00 C ATOM 939 C PRO A 59 -2.699 0.570 -10.428 1.00 0.00 C ATOM 940 O PRO A 59 -3.701 0.980 -9.849 1.00 0.00 O ATOM 941 CB PRO A 59 -2.190 0.357 -12.885 1.00 0.00 C ATOM 942 CG PRO A 59 -0.758 0.116 -13.240 1.00 0.00 C ATOM 943 CD PRO A 59 0.002 1.301 -12.726 1.00 0.00 C ATOM 0 HA PRO A 59 -2.808 2.168 -11.777 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.697 -0.579 -12.651 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.728 0.812 -13.717 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.394 -0.807 -12.788 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.636 0.012 -14.318 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.034 1.048 -12.485 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.034 2.110 -13.455 1.00 0.00 H new ATOM 951 N SER A 60 -1.995 -0.472 -10.001 1.00 0.00 N ATOM 952 CA SER A 60 -2.444 -1.298 -8.886 1.00 0.00 C ATOM 953 C SER A 60 -2.517 -0.485 -7.600 1.00 0.00 C ATOM 954 O SER A 60 -3.438 -0.650 -6.804 1.00 0.00 O ATOM 955 CB SER A 60 -1.502 -2.487 -8.699 1.00 0.00 C ATOM 956 OG SER A 60 -2.039 -3.436 -7.794 1.00 0.00 O ATOM 0 H SER A 60 -1.109 -0.766 -10.411 1.00 0.00 H new ATOM 0 HA SER A 60 -3.444 -1.666 -9.117 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.320 -2.963 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.539 -2.135 -8.330 1.00 0.00 H new ATOM 0 HG SER A 60 -1.431 -3.543 -7.033 1.00 0.00 H new ATOM 962 N LEU A 61 -1.544 0.390 -7.410 1.00 0.00 N ATOM 963 CA LEU A 61 -1.487 1.224 -6.220 1.00 0.00 C ATOM 964 C LEU A 61 -2.670 2.202 -6.212 1.00 0.00 C ATOM 965 O LEU A 61 -3.361 2.345 -5.204 1.00 0.00 O ATOM 966 CB LEU A 61 -0.142 1.966 -6.177 1.00 0.00 C ATOM 967 CG LEU A 61 0.377 2.352 -4.785 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.502 3.407 -4.151 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.471 1.130 -3.881 1.00 0.00 C ATOM 0 H LEU A 61 -0.779 0.542 -8.068 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.561 0.603 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.609 1.342 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.233 2.875 -6.772 1.00 0.00 H new ATOM 0 HG LEU A 61 1.377 2.768 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.112 3.662 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.512 4.298 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.517 3.023 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.841 1.430 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.516 0.680 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.155 0.404 -4.320 1.00 0.00 H new ATOM 981 N SER A 62 -2.912 2.851 -7.347 1.00 0.00 N ATOM 982 CA SER A 62 -4.044 3.765 -7.488 1.00 0.00 C ATOM 983 C SER A 62 -5.369 3.027 -7.313 1.00 0.00 C ATOM 984 O SER A 62 -6.278 3.490 -6.603 1.00 0.00 O ATOM 985 CB SER A 62 -3.997 4.440 -8.857 1.00 0.00 C ATOM 986 OG SER A 62 -2.803 5.195 -9.000 1.00 0.00 O ATOM 0 H SER A 62 -2.338 2.761 -8.186 1.00 0.00 H new ATOM 0 HA SER A 62 -3.973 4.523 -6.708 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.054 3.686 -9.642 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.863 5.092 -8.977 1.00 0.00 H new ATOM 0 HG SER A 62 -2.048 4.588 -9.146 1.00 0.00 H new ATOM 992 N GLN A 63 -5.472 1.867 -7.956 1.00 0.00 N ATOM 993 CA GLN A 63 -6.649 1.028 -7.824 1.00 0.00 C ATOM 994 C GLN A 63 -6.884 0.687 -6.368 1.00 0.00 C ATOM 995 O GLN A 63 -8.021 0.680 -5.897 1.00 0.00 O ATOM 996 CB GLN A 63 -6.500 -0.263 -8.629 1.00 0.00 C ATOM 997 CG GLN A 63 -6.456 -0.056 -10.131 1.00 0.00 C ATOM 998 CD GLN A 63 -6.571 -1.361 -10.890 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.573 -2.008 -11.211 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -7.799 -1.761 -11.160 1.00 0.00 N ATOM 0 H GLN A 63 -4.752 1.491 -8.573 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.501 1.585 -8.214 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.587 -0.770 -8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.331 -0.926 -8.389 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.267 0.609 -10.429 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.523 0.439 -10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.595 -1.191 -10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.952 -2.640 -11.655 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.800 0.427 -5.647 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.904 0.047 -4.255 1.00 0.00 C ATOM 1011 C TRP A 64 -6.402 1.204 -3.404 1.00 0.00 C ATOM 1012 O TRP A 64 -7.097 0.977 -2.428 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.577 -0.492 -3.713 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.709 -1.022 -2.317 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.922 -0.730 -1.241 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.718 -1.920 -1.845 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.379 -1.397 -0.131 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.481 -2.132 -0.477 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.802 -2.568 -2.447 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.287 -2.958 0.294 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.597 -3.383 -1.681 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.338 -3.574 -0.326 1.00 0.00 C ATOM 0 H TRP A 64 -4.846 0.474 -6.006 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.636 -0.758 -4.197 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.214 -1.284 -4.368 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.830 0.302 -3.729 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.066 -0.072 -1.260 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.965 -1.352 0.800 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.010 -2.429 -3.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.091 -3.109 1.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.438 -3.885 -2.137 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.982 -4.224 0.248 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.078 2.434 -3.783 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.593 3.600 -3.067 1.00 0.00 C ATOM 1035 C PHE A 65 -8.114 3.526 -2.964 1.00 0.00 C ATOM 1036 O PHE A 65 -8.685 3.565 -1.866 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.181 4.905 -3.762 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.746 5.298 -3.555 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.027 4.826 -2.467 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.127 6.163 -4.438 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -2.716 5.213 -2.268 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -2.816 6.549 -4.248 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.109 6.075 -3.161 1.00 0.00 C ATOM 0 H PHE A 65 -5.469 2.651 -4.572 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.163 3.595 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.366 4.806 -4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.820 5.711 -3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.497 4.149 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.677 6.541 -5.287 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.166 4.842 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.343 7.221 -4.949 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.083 6.377 -3.009 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.768 3.375 -4.108 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.225 3.304 -4.132 1.00 0.00 C ATOM 1055 C GLU A 66 -10.724 1.947 -3.625 1.00 0.00 C ATOM 1056 O GLU A 66 -11.758 1.859 -2.955 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.749 3.579 -5.543 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.312 4.930 -6.087 1.00 0.00 C ATOM 1059 CD GLU A 66 -11.033 5.318 -7.362 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -10.718 4.751 -8.431 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.911 6.201 -7.301 1.00 0.00 O ATOM 0 H GLU A 66 -8.321 3.300 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.611 4.071 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.400 2.794 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.838 3.532 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.488 5.694 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.239 4.909 -6.275 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.978 0.888 -3.926 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.375 -0.459 -3.525 1.00 0.00 C ATOM 1070 C HIS A 67 -10.299 -0.642 -2.014 1.00 0.00 C ATOM 1071 O HIS A 67 -11.196 -1.232 -1.428 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.535 -1.532 -4.230 1.00 0.00 C ATOM 1073 CG HIS A 67 -10.016 -1.859 -5.611 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -10.053 -3.143 -6.118 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.492 -1.058 -6.596 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.525 -3.111 -7.351 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.801 -1.861 -7.663 1.00 0.00 N ATOM 0 H HIS A 67 -9.100 0.935 -4.443 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.413 -0.582 -3.833 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.500 -1.193 -4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.541 -2.440 -3.628 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.762 -3.984 -5.619 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.607 0.015 -6.549 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.662 -3.966 -7.996 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.249 -0.122 -1.386 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.076 -0.260 0.061 1.00 0.00 C ATOM 1088 C GLN A 68 -10.185 0.469 0.800 1.00 0.00 C ATOM 1089 O GLN A 68 -10.626 0.037 1.864 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.714 0.281 0.520 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.584 1.793 0.425 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.236 2.304 0.882 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.594 1.716 1.747 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -5.800 3.412 0.306 1.00 0.00 N ATOM 0 H GLN A 68 -8.506 0.398 -1.852 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.120 -1.324 0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.543 -0.024 1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.930 -0.179 -0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.752 2.102 -0.607 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.365 2.257 1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.364 3.871 -0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.900 3.808 0.577 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.640 1.570 0.214 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.709 2.360 0.807 1.00 0.00 C ATOM 1105 C GLU A 69 -13.006 1.544 0.865 1.00 0.00 C ATOM 1106 O GLU A 69 -13.841 1.739 1.753 1.00 0.00 O ATOM 1107 CB GLU A 69 -11.911 3.646 0.003 1.00 0.00 C ATOM 1108 CG GLU A 69 -12.956 4.582 0.587 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.166 5.819 -0.259 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -14.002 5.773 -1.187 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -12.502 6.848 -0.002 1.00 0.00 O ATOM 0 H GLU A 69 -10.285 1.935 -0.670 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.432 2.627 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.960 4.175 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.201 3.384 -1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.902 4.049 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.652 4.880 1.590 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.156 0.616 -0.076 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.345 -0.233 -0.134 1.00 0.00 C ATOM 1120 C ARG A 70 -14.004 -1.705 0.139 1.00 0.00 C ATOM 1121 O ARG A 70 -14.732 -2.608 -0.279 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.028 -0.070 -1.496 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.100 -0.283 -2.681 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.761 0.120 -3.990 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.908 -0.727 -4.318 1.00 0.00 N ATOM 1126 CZ ARG A 70 -16.767 -0.481 -5.312 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -16.650 0.621 -6.047 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -17.752 -1.338 -5.551 1.00 0.00 N ATOM 0 H ARG A 70 -12.471 0.432 -0.809 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.033 0.084 0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.855 -0.777 -1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.457 0.930 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.189 0.298 -2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.805 -1.331 -2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.086 1.158 -3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.029 0.064 -4.796 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.062 -1.560 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.901 1.286 -5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.309 0.802 -6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.849 -2.176 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -18.412 -1.158 -6.308 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.919 -1.938 0.870 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.473 -3.296 1.178 1.00 0.00 C ATOM 1144 C LYS A 71 -11.852 -3.314 2.577 1.00 0.00 C ATOM 1145 O LYS A 71 -11.925 -2.304 3.281 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.460 -3.757 0.124 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.489 -5.251 -0.174 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.544 -5.603 -1.317 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.047 -5.066 -2.649 1.00 0.00 C ATOM 1150 NZ LYS A 71 -12.123 -5.918 -3.222 1.00 0.00 N ATOM 0 H LYS A 71 -12.330 -1.203 1.262 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.320 -3.982 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.645 -3.212 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.459 -3.486 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.207 -5.808 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.504 -5.554 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.555 -5.195 -1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.435 -6.686 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.422 -4.051 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.217 -5.008 -3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.565 -5.426 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.716 -6.818 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.841 -6.107 -2.494 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.223 -4.436 2.967 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.648 -4.590 4.313 1.00 0.00 C ATOM 1166 C LEU A 72 -11.690 -4.415 5.422 1.00 0.00 C ATOM 1167 O LEU A 72 -12.228 -5.395 5.943 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.496 -3.600 4.526 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.124 -4.070 4.043 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.206 -4.647 2.645 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -7.137 -2.920 4.073 1.00 0.00 C ATOM 0 H LEU A 72 -11.100 -5.251 2.367 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.270 -5.611 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.742 -2.669 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.428 -3.372 5.590 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.780 -4.855 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.216 -4.973 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.887 -5.498 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.575 -3.885 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.163 -3.267 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.490 -2.121 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.047 -2.544 5.092 1.00 0.00 H new ATOM 1183 N HIS A 73 -11.981 -3.164 5.749 1.00 0.00 N ATOM 1184 CA HIS A 73 -12.834 -2.819 6.880 1.00 0.00 C ATOM 1185 C HIS A 73 -13.060 -1.311 6.912 1.00 0.00 C ATOM 1186 O HIS A 73 -14.024 -0.827 7.500 1.00 0.00 O ATOM 1187 CB HIS A 73 -12.183 -3.281 8.193 1.00 0.00 C ATOM 1188 CG HIS A 73 -13.009 -3.029 9.417 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -12.496 -2.439 10.549 1.00 0.00 N ATOM 1190 CD2 HIS A 73 -14.309 -3.293 9.689 1.00 0.00 C ATOM 1191 CE1 HIS A 73 -13.443 -2.349 11.464 1.00 0.00 C ATOM 1192 NE2 HIS A 73 -14.550 -2.859 10.967 1.00 0.00 N ATOM 0 H HIS A 73 -11.631 -2.355 5.236 1.00 0.00 H new ATOM 0 HA HIS A 73 -13.794 -3.323 6.769 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -11.974 -4.349 8.124 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -11.224 -2.775 8.306 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.022 -3.758 9.024 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -13.329 -1.928 12.452 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -15.444 -2.921 11.454 1.00 0.00 H new ATOM 1201 N GLY A 74 -12.154 -0.573 6.279 1.00 0.00 N ATOM 1202 CA GLY A 74 -12.244 0.874 6.278 1.00 0.00 C ATOM 1203 C GLY A 74 -11.320 1.486 7.306 1.00 0.00 C ATOM 1204 O GLY A 74 -11.062 2.689 7.289 1.00 0.00 O ATOM 0 H GLY A 74 -11.358 -0.953 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.992 1.255 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.271 1.176 6.484 1.00 0.00 H new ATOM 1208 N THR A 75 -10.822 0.655 8.208 1.00 0.00 N ATOM 1209 CA THR A 75 -9.908 1.108 9.236 1.00 0.00 C ATOM 1210 C THR A 75 -8.479 1.143 8.713 1.00 0.00 C ATOM 1211 O THR A 75 -7.763 0.143 8.750 1.00 0.00 O ATOM 1212 CB THR A 75 -9.987 0.211 10.477 1.00 0.00 C ATOM 1213 OG1 THR A 75 -9.984 -1.169 10.082 1.00 0.00 O ATOM 1214 CG2 THR A 75 -11.244 0.500 11.280 1.00 0.00 C ATOM 0 H THR A 75 -11.039 -0.341 8.246 1.00 0.00 H new ATOM 0 HA THR A 75 -10.204 2.118 9.518 1.00 0.00 H new ATOM 0 HB THR A 75 -9.118 0.420 11.101 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.896 -1.524 10.126 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.275 -0.150 12.154 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.239 1.541 11.602 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.122 0.316 10.660 1.00 0.00 H new ATOM 1222 N LEU A 76 -8.080 2.303 8.227 1.00 0.00 N ATOM 1223 CA LEU A 76 -6.801 2.477 7.587 1.00 0.00 C ATOM 1224 C LEU A 76 -6.267 3.854 7.931 1.00 0.00 C ATOM 1225 O LEU A 76 -7.019 4.706 8.415 1.00 0.00 O ATOM 1226 CB LEU A 76 -6.958 2.339 6.067 1.00 0.00 C ATOM 1227 CG LEU A 76 -7.313 0.940 5.571 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -7.797 0.994 4.132 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -6.109 0.021 5.689 1.00 0.00 C ATOM 0 H LEU A 76 -8.642 3.153 8.268 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.104 1.715 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.731 3.031 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.027 2.649 5.593 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.117 0.545 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.046 -0.012 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.682 1.627 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.011 1.405 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.375 -0.974 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.290 0.415 5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.798 -0.039 6.732 1.00 0.00 H new ATOM 1241 N PRO A 77 -4.964 4.069 7.743 1.00 0.00 N ATOM 1242 CA PRO A 77 -4.356 5.397 7.813 1.00 0.00 C ATOM 1243 C PRO A 77 -5.182 6.451 7.077 1.00 0.00 C ATOM 1244 O PRO A 77 -5.464 6.313 5.885 1.00 0.00 O ATOM 1245 CB PRO A 77 -3.053 5.181 7.093 1.00 0.00 C ATOM 1246 CG PRO A 77 -2.667 3.789 7.433 1.00 0.00 C ATOM 1247 CD PRO A 77 -3.958 3.022 7.473 1.00 0.00 C ATOM 0 HA PRO A 77 -4.265 5.764 8.835 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.168 5.309 6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.296 5.894 7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.986 3.376 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.153 3.746 8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.152 2.511 6.530 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.950 2.260 8.253 1.00 0.00 H new ATOM 1255 N LYS A 78 -5.538 7.516 7.776 1.00 0.00 N ATOM 1256 CA LYS A 78 -6.409 8.545 7.222 1.00 0.00 C ATOM 1257 C LYS A 78 -5.589 9.563 6.440 1.00 0.00 C ATOM 1258 O LYS A 78 -5.740 10.773 6.599 1.00 0.00 O ATOM 1259 CB LYS A 78 -7.183 9.223 8.351 1.00 0.00 C ATOM 1260 CG LYS A 78 -7.897 8.234 9.259 1.00 0.00 C ATOM 1261 CD LYS A 78 -8.546 8.926 10.443 1.00 0.00 C ATOM 1262 CE LYS A 78 -9.043 7.919 11.464 1.00 0.00 C ATOM 1263 NZ LYS A 78 -9.730 8.580 12.602 1.00 0.00 N ATOM 0 H LYS A 78 -5.236 7.693 8.734 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.121 8.085 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.495 9.823 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.915 9.908 7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.657 7.700 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.186 7.490 9.618 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.828 9.599 10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.379 9.539 10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.728 7.221 10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.202 7.335 11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.055 7.859 13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.070 9.228 13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.548 9.117 12.249 1.00 0.00 H new ATOM 1277 N LEU A 79 -4.758 9.040 5.557 1.00 0.00 N ATOM 1278 CA LEU A 79 -3.812 9.837 4.785 1.00 0.00 C ATOM 1279 C LEU A 79 -4.417 10.296 3.468 1.00 0.00 C ATOM 1280 O LEU A 79 -3.721 10.402 2.456 1.00 0.00 O ATOM 1281 CB LEU A 79 -2.535 9.023 4.544 1.00 0.00 C ATOM 1282 CG LEU A 79 -2.745 7.570 4.088 1.00 0.00 C ATOM 1283 CD1 LEU A 79 -3.110 7.486 2.616 1.00 0.00 C ATOM 1284 CD2 LEU A 79 -1.506 6.752 4.366 1.00 0.00 C ATOM 0 H LEU A 79 -4.718 8.042 5.351 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.565 10.732 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.935 9.537 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.953 9.014 5.465 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.581 7.164 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.250 6.442 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.034 8.036 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.309 7.919 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.667 5.725 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.661 7.177 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.295 6.763 5.435 1.00 0.00 H new ATOM 1296 N ASN A 80 -5.723 10.557 3.494 1.00 0.00 N ATOM 1297 CA ASN A 80 -6.471 10.986 2.309 1.00 0.00 C ATOM 1298 C ASN A 80 -6.623 9.807 1.371 1.00 0.00 C ATOM 1299 O ASN A 80 -7.045 9.927 0.222 1.00 0.00 O ATOM 1300 CB ASN A 80 -5.767 12.170 1.623 1.00 0.00 C ATOM 1301 CG ASN A 80 -6.615 12.852 0.572 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -6.562 12.519 -0.611 1.00 0.00 O ATOM 1303 ND2 ASN A 80 -7.396 13.820 1.008 1.00 0.00 N ATOM 0 H ASN A 80 -6.294 10.478 4.336 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.462 11.331 2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.483 12.901 2.380 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.846 11.816 1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.991 14.329 0.354 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.406 14.060 1.999 1.00 0.00 H new ATOM 1310 N PHE A 81 -6.298 8.650 1.921 1.00 0.00 N ATOM 1311 CA PHE A 81 -6.309 7.386 1.208 1.00 0.00 C ATOM 1312 C PHE A 81 -5.604 7.474 -0.132 1.00 0.00 C ATOM 1313 O PHE A 81 -5.959 6.776 -1.075 1.00 0.00 O ATOM 1314 CB PHE A 81 -7.736 6.883 1.042 1.00 0.00 C ATOM 1315 CG PHE A 81 -8.359 6.412 2.328 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -7.582 5.843 3.330 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -9.723 6.537 2.534 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -8.156 5.414 4.510 1.00 0.00 C ATOM 1319 CE2 PHE A 81 -10.302 6.109 3.712 1.00 0.00 C ATOM 1320 CZ PHE A 81 -9.518 5.544 4.702 1.00 0.00 C ATOM 0 H PHE A 81 -6.013 8.562 2.896 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.751 6.668 1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.348 7.681 0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.743 6.064 0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.517 5.735 3.184 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -10.341 6.975 1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.541 4.977 5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -11.366 6.215 3.861 1.00 0.00 H new ATOM 0 HZ PHE A 81 -9.970 5.205 5.623 1.00 0.00 H new ATOM 1330 N GLY A 82 -4.575 8.303 -0.196 1.00 0.00 N ATOM 1331 CA GLY A 82 -3.822 8.436 -1.415 1.00 0.00 C ATOM 1332 C GLY A 82 -3.127 9.766 -1.519 1.00 0.00 C ATOM 1333 O GLY A 82 -2.079 9.857 -2.146 1.00 0.00 O ATOM 0 H GLY A 82 -4.251 8.885 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.082 7.637 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.490 8.311 -2.267 1.00 0.00 H new ATOM 1337 N MET A 83 -3.716 10.791 -0.898 1.00 0.00 N ATOM 1338 CA MET A 83 -3.216 12.169 -0.951 1.00 0.00 C ATOM 1339 C MET A 83 -3.451 12.776 -2.319 1.00 0.00 C ATOM 1340 O MET A 83 -4.040 13.844 -2.456 1.00 0.00 O ATOM 1341 CB MET A 83 -1.728 12.258 -0.618 1.00 0.00 C ATOM 1342 CG MET A 83 -1.326 11.511 0.634 1.00 0.00 C ATOM 1343 SD MET A 83 0.442 11.630 0.968 1.00 0.00 S ATOM 1344 CE MET A 83 1.101 10.913 -0.535 1.00 0.00 C ATOM 0 H MET A 83 -4.562 10.687 -0.338 1.00 0.00 H new ATOM 0 HA MET A 83 -3.771 12.727 -0.197 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.155 11.868 -1.459 1.00 0.00 H new ATOM 0 HB3 MET A 83 -1.455 13.307 -0.505 1.00 0.00 H new ATOM 0 HG2 MET A 83 -1.881 11.907 1.484 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.604 10.462 0.533 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.190 10.911 -0.490 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.740 9.890 -0.639 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.774 11.501 -1.392 1.00 0.00 H new ATOM 1354 N LEU A 84 -2.984 12.076 -3.326 1.00 0.00 N ATOM 1355 CA LEU A 84 -3.073 12.544 -4.692 1.00 0.00 C ATOM 1356 C LEU A 84 -4.223 11.888 -5.454 1.00 0.00 C ATOM 1357 O LEU A 84 -4.411 12.148 -6.645 1.00 0.00 O ATOM 1358 CB LEU A 84 -1.733 12.378 -5.442 1.00 0.00 C ATOM 1359 CG LEU A 84 -1.001 11.020 -5.364 1.00 0.00 C ATOM 1360 CD1 LEU A 84 -0.131 10.952 -4.120 1.00 0.00 C ATOM 1361 CD2 LEU A 84 -1.962 9.833 -5.422 1.00 0.00 C ATOM 0 H LEU A 84 -2.532 11.167 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.292 13.611 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.915 12.595 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.050 13.143 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.362 10.950 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.376 9.988 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.610 11.751 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.754 11.068 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.396 8.903 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.658 9.887 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.518 9.861 -6.359 1.00 0.00 H new ATOM 1373 N ARG A 85 -5.011 11.060 -4.770 1.00 0.00 N ATOM 1374 CA ARG A 85 -6.116 10.378 -5.431 1.00 0.00 C ATOM 1375 C ARG A 85 -7.216 11.369 -5.773 1.00 0.00 C ATOM 1376 O ARG A 85 -7.875 11.916 -4.890 1.00 0.00 O ATOM 1377 CB ARG A 85 -6.665 9.193 -4.617 1.00 0.00 C ATOM 1378 CG ARG A 85 -6.981 9.505 -3.170 1.00 0.00 C ATOM 1379 CD ARG A 85 -7.900 8.461 -2.558 1.00 0.00 C ATOM 1380 NE ARG A 85 -9.244 8.459 -3.137 1.00 0.00 N ATOM 1381 CZ ARG A 85 -10.333 8.055 -2.477 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -10.247 7.673 -1.206 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -11.505 8.039 -3.088 1.00 0.00 N ATOM 0 H ARG A 85 -4.907 10.849 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.723 9.951 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.571 8.828 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.938 8.382 -4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.055 9.555 -2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.450 10.487 -3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.455 7.475 -2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.975 8.638 -1.485 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.355 8.784 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.345 7.687 -0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.083 7.366 -0.708 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.577 8.335 -4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.338 7.731 -2.586 1.00 0.00 H new ATOM 1397 N LYS A 86 -7.366 11.611 -7.079 1.00 0.00 N ATOM 1398 CA LYS A 86 -8.292 12.609 -7.619 1.00 0.00 C ATOM 1399 C LYS A 86 -7.791 14.017 -7.308 1.00 0.00 C ATOM 1400 O LYS A 86 -8.482 15.008 -7.546 1.00 0.00 O ATOM 1401 CB LYS A 86 -9.720 12.417 -7.087 1.00 0.00 C ATOM 1402 CG LYS A 86 -10.245 11.000 -7.248 1.00 0.00 C ATOM 1403 CD LYS A 86 -10.017 10.466 -8.654 1.00 0.00 C ATOM 1404 CE LYS A 86 -10.494 9.031 -8.777 1.00 0.00 C ATOM 1405 NZ LYS A 86 -10.105 8.425 -10.074 1.00 0.00 N ATOM 0 H LYS A 86 -6.841 11.113 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.328 12.473 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.744 12.687 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.388 13.104 -7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.753 10.347 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.311 10.980 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.545 11.091 -9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.957 10.522 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.078 8.440 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.579 8.999 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.450 7.445 -10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.523 8.974 -10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.069 8.431 -10.163 1.00 0.00 H new ATOM 1419 N MET A 87 -6.571 14.090 -6.796 1.00 0.00 N ATOM 1420 CA MET A 87 -5.951 15.354 -6.432 1.00 0.00 C ATOM 1421 C MET A 87 -5.001 15.804 -7.533 1.00 0.00 C ATOM 1422 O MET A 87 -4.796 16.999 -7.756 1.00 0.00 O ATOM 1423 CB MET A 87 -5.196 15.190 -5.112 1.00 0.00 C ATOM 1424 CG MET A 87 -4.515 16.457 -4.618 1.00 0.00 C ATOM 1425 SD MET A 87 -5.691 17.712 -4.076 1.00 0.00 S ATOM 1426 CE MET A 87 -6.478 16.862 -2.709 1.00 0.00 C ATOM 0 H MET A 87 -5.984 13.274 -6.622 1.00 0.00 H new ATOM 0 HA MET A 87 -6.723 16.114 -6.309 1.00 0.00 H new ATOM 0 HB2 MET A 87 -5.893 14.845 -4.349 1.00 0.00 H new ATOM 0 HB3 MET A 87 -4.444 14.410 -5.232 1.00 0.00 H new ATOM 0 HG2 MET A 87 -3.849 16.208 -3.792 1.00 0.00 H new ATOM 0 HG3 MET A 87 -3.895 16.866 -5.416 1.00 0.00 H new ATOM 0 HE1 MET A 87 -6.626 17.559 -1.884 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.443 16.471 -3.031 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.844 16.039 -2.379 1.00 0.00 H new ATOM 1436 N GLY A 88 -4.430 14.828 -8.224 1.00 0.00 N ATOM 1437 CA GLY A 88 -3.525 15.116 -9.311 1.00 0.00 C ATOM 1438 C GLY A 88 -3.781 14.212 -10.493 1.00 0.00 C ATOM 1439 O GLY A 88 -3.563 14.647 -11.643 1.00 0.00 O ATOM 1440 OXT GLY A 88 -4.219 13.062 -10.281 1.00 0.00 O ATOM 0 H GLY A 88 -4.581 13.835 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.638 16.157 -9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.496 14.993 -8.973 1.00 0.00 H new TER 1444 GLY A 88