USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 978 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 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 94 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.4) USER MOD Set 2.1: A 70 GLN : amide:sc= -4.75! C(o=-4.8!,f=-9.8!) USER MOD Set 2.2: A 97 SER OG : rot 180:sc= -0.0639 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 161:sc= -0.196 (180deg=-0.808) USER MOD Single : A 3 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.0117 (180deg=-0.178) USER MOD Single : A 12 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.5!) USER MOD Single : A 16 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.57) USER MOD Single : A 21 GLN : amide:sc= -0.0816 X(o=-0.082,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.54) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 32 GLN : amide:sc= -2.35! K(o=-2.4!,f=-1.6) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 39 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.027) USER MOD Single : A 44 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.4!) USER MOD Single : A 46 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.7!) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 1.22 (180deg=0.53) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.51 K(o=-1.5,f=-13!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.0132 USER MOD Single : A 65 MET CE :methyl -159:sc= -1.79 (180deg=-3.09!) USER MOD Single : A 80 THR OG1 : rot 160:sc=-0.00559 USER MOD Single : A 83 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.1) USER MOD Single : A 89 ASN : amide:sc= -1.85 K(o=-1.8,f=-5.2!) USER MOD Single : A 90 TYR OH : rot 69:sc= 0.577 USER MOD Single : A 95 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 98 LYS NZ :NH3+ -120:sc= -0.073 (180deg=-0.867) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -138:sc= -0.233 (180deg=-1.92!) USER MOD Single : A 107 THR OG1 : rot 69:sc= 0.428 USER MOD Single : A 109 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.032) USER MOD Single : A 110 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0172) USER MOD Single : A 112 LYS NZ :NH3+ -131:sc= -1.18 (180deg=-2.08!) USER MOD Single : A 115 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.9!) USER MOD Single : A 116 THR OG1 : rot -51:sc= -0.449 USER MOD Single : A 117 GLN : amide:sc=-0.00166 X(o=-0.0017,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 23.040 8.398 -14.935 1.00 0.00 N ATOM 2 CA GLN A 1 21.621 8.731 -14.929 1.00 0.00 C ATOM 3 C GLN A 1 20.935 8.171 -13.687 1.00 0.00 C ATOM 4 O GLN A 1 19.746 7.859 -13.711 1.00 0.00 O ATOM 5 CB GLN A 1 20.942 8.189 -16.188 1.00 0.00 C ATOM 6 CG GLN A 1 21.126 6.692 -16.382 1.00 0.00 C ATOM 7 CD GLN A 1 20.637 6.215 -17.735 1.00 0.00 C ATOM 8 OE1 GLN A 1 21.398 6.172 -18.703 1.00 0.00 O ATOM 9 NE2 GLN A 1 19.362 5.852 -17.810 1.00 0.00 N ATOM 0 H1 GLN A 1 23.415 8.494 -15.900 1.00 0.00 H new ATOM 0 H2 GLN A 1 23.551 9.044 -14.299 1.00 0.00 H new ATOM 0 H3 GLN A 1 23.168 7.419 -14.609 1.00 0.00 H new ATOM 0 HA GLN A 1 21.530 9.817 -14.914 1.00 0.00 H new ATOM 0 HB2 GLN A 1 19.876 8.413 -16.141 1.00 0.00 H new ATOM 0 HB3 GLN A 1 21.339 8.711 -17.058 1.00 0.00 H new ATOM 0 HG2 GLN A 1 22.181 6.442 -16.273 1.00 0.00 H new ATOM 0 HG3 GLN A 1 20.589 6.159 -15.597 1.00 0.00 H new ATOM 0 HE21 GLN A 1 18.767 5.904 -16.983 1.00 0.00 H new ATOM 0 HE22 GLN A 1 18.977 5.521 -18.695 1.00 0.00 H new ATOM 18 N GLU A 2 21.696 8.046 -12.602 1.00 0.00 N ATOM 19 CA GLU A 2 21.162 7.522 -11.352 1.00 0.00 C ATOM 20 C GLU A 2 20.442 8.615 -10.567 1.00 0.00 C ATOM 21 O GLU A 2 21.029 9.646 -10.237 1.00 0.00 O ATOM 22 CB GLU A 2 22.284 6.924 -10.502 1.00 0.00 C ATOM 23 CG GLU A 2 22.575 5.466 -10.816 1.00 0.00 C ATOM 24 CD GLU A 2 23.883 4.989 -10.213 1.00 0.00 C ATOM 25 OE1 GLU A 2 24.683 5.845 -9.781 1.00 0.00 O ATOM 26 OE2 GLU A 2 24.106 3.762 -10.175 1.00 0.00 O ATOM 0 H GLU A 2 22.683 8.301 -12.565 1.00 0.00 H new ATOM 0 HA GLU A 2 20.444 6.739 -11.594 1.00 0.00 H new ATOM 0 HB2 GLU A 2 23.192 7.507 -10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 2 22.018 7.014 -9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 2 21.759 4.848 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 2 22.607 5.330 -11.897 1.00 0.00 H new ATOM 33 N HIS A 3 19.167 8.382 -10.272 1.00 0.00 N ATOM 34 CA HIS A 3 18.367 9.346 -9.525 1.00 0.00 C ATOM 35 C HIS A 3 17.683 8.680 -8.335 1.00 0.00 C ATOM 36 O HIS A 3 17.006 7.663 -8.484 1.00 0.00 O ATOM 37 CB HIS A 3 17.319 9.985 -10.438 1.00 0.00 C ATOM 38 CG HIS A 3 17.894 10.947 -11.430 1.00 0.00 C ATOM 39 ND1 HIS A 3 17.435 11.058 -12.726 1.00 0.00 N ATOM 40 CD2 HIS A 3 18.899 11.847 -11.310 1.00 0.00 C ATOM 41 CE1 HIS A 3 18.132 11.984 -13.360 1.00 0.00 C ATOM 42 NE2 HIS A 3 19.027 12.478 -12.523 1.00 0.00 N ATOM 0 H HIS A 3 18.666 7.535 -10.539 1.00 0.00 H new ATOM 0 HA HIS A 3 19.034 10.122 -9.150 1.00 0.00 H new ATOM 0 HB2 HIS A 3 16.788 9.198 -10.974 1.00 0.00 H new ATOM 0 HB3 HIS A 3 16.584 10.505 -9.824 1.00 0.00 H new ATOM 0 HD2 HIS A 3 19.490 12.034 -10.425 1.00 0.00 H new ATOM 0 HE1 HIS A 3 17.994 12.286 -14.388 1.00 0.00 H new ATOM 0 HE2 HIS A 3 19.703 13.209 -12.742 1.00 0.00 H new ATOM 50 N LYS A 4 17.867 9.259 -7.154 1.00 0.00 N ATOM 51 CA LYS A 4 17.270 8.723 -5.937 1.00 0.00 C ATOM 52 C LYS A 4 15.840 9.226 -5.766 1.00 0.00 C ATOM 53 O LYS A 4 15.433 10.227 -6.357 1.00 0.00 O ATOM 54 CB LYS A 4 18.108 9.113 -4.718 1.00 0.00 C ATOM 55 CG LYS A 4 19.196 8.109 -4.380 1.00 0.00 C ATOM 56 CD LYS A 4 19.594 8.188 -2.916 1.00 0.00 C ATOM 57 CE LYS A 4 20.942 7.527 -2.668 1.00 0.00 C ATOM 58 NZ LYS A 4 21.527 7.934 -1.361 1.00 0.00 N ATOM 0 H LYS A 4 18.426 10.101 -7.014 1.00 0.00 H new ATOM 0 HA LYS A 4 17.247 7.637 -6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 4 18.566 10.085 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 4 17.450 9.226 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.847 7.102 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.069 8.293 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 4 19.637 9.232 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.832 7.704 -2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.825 6.444 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.629 7.791 -3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.445 7.462 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.662 8.965 -1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.883 7.659 -0.592 1.00 0.00 H new ATOM 72 N PRO A 5 15.057 8.518 -4.938 1.00 0.00 N ATOM 73 CA PRO A 5 13.661 8.874 -4.669 1.00 0.00 C ATOM 74 C PRO A 5 13.538 10.154 -3.849 1.00 0.00 C ATOM 75 O PRO A 5 14.539 10.719 -3.406 1.00 0.00 O ATOM 76 CB PRO A 5 13.136 7.677 -3.874 1.00 0.00 C ATOM 77 CG PRO A 5 14.344 7.086 -3.236 1.00 0.00 C ATOM 78 CD PRO A 5 15.475 7.313 -4.200 1.00 0.00 C ATOM 0 HA PRO A 5 13.106 9.069 -5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.406 7.988 -3.127 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.640 6.957 -4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.549 7.559 -2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.203 6.022 -3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.421 7.468 -3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 5 15.613 6.461 -4.866 1.00 0.00 H new ATOM 86 N LYS A 6 12.305 10.607 -3.648 1.00 0.00 N ATOM 87 CA LYS A 6 12.050 11.819 -2.879 1.00 0.00 C ATOM 88 C LYS A 6 10.731 11.714 -2.120 1.00 0.00 C ATOM 89 O LYS A 6 9.792 11.060 -2.574 1.00 0.00 O ATOM 90 CB LYS A 6 12.022 13.039 -3.804 1.00 0.00 C ATOM 91 CG LYS A 6 12.332 14.345 -3.096 1.00 0.00 C ATOM 92 CD LYS A 6 13.828 14.535 -2.904 1.00 0.00 C ATOM 93 CE LYS A 6 14.491 15.052 -4.172 1.00 0.00 C ATOM 94 NZ LYS A 6 15.853 15.593 -3.904 1.00 0.00 N ATOM 0 H LYS A 6 11.466 10.152 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 6 12.857 11.937 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.743 12.891 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.038 13.111 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.930 15.177 -3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.835 14.361 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.005 15.235 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.282 13.587 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.558 14.245 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.871 15.832 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.272 15.935 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.787 16.379 -3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.452 14.842 -3.506 1.00 0.00 H new ATOM 108 N LYS A 7 10.667 12.363 -0.963 1.00 0.00 N ATOM 109 CA LYS A 7 9.463 12.345 -0.141 1.00 0.00 C ATOM 110 C LYS A 7 9.190 13.723 0.454 1.00 0.00 C ATOM 111 O LYS A 7 9.976 14.654 0.276 1.00 0.00 O ATOM 112 CB LYS A 7 9.601 11.313 0.980 1.00 0.00 C ATOM 113 CG LYS A 7 10.765 11.583 1.917 1.00 0.00 C ATOM 114 CD LYS A 7 10.902 10.492 2.966 1.00 0.00 C ATOM 115 CE LYS A 7 12.252 10.558 3.665 1.00 0.00 C ATOM 116 NZ LYS A 7 13.360 10.121 2.773 1.00 0.00 N ATOM 0 H LYS A 7 11.435 12.909 -0.573 1.00 0.00 H new ATOM 0 HA LYS A 7 8.623 12.070 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.677 11.292 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.723 10.324 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.688 11.653 1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.622 12.545 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.104 10.591 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.782 9.516 2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.437 11.578 4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.232 9.928 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.216 9.952 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.088 9.243 2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.552 10.862 2.069 1.00 0.00 H new ATOM 130 N ASP A 8 8.073 13.846 1.163 1.00 0.00 N ATOM 131 CA ASP A 8 7.699 15.110 1.788 1.00 0.00 C ATOM 132 C ASP A 8 7.474 16.190 0.734 1.00 0.00 C ATOM 133 O ASP A 8 7.713 17.372 0.982 1.00 0.00 O ATOM 134 CB ASP A 8 8.779 15.557 2.772 1.00 0.00 C ATOM 135 CG ASP A 8 8.216 16.372 3.919 1.00 0.00 C ATOM 136 OD1 ASP A 8 7.183 15.962 4.488 1.00 0.00 O ATOM 137 OD2 ASP A 8 8.807 17.422 4.248 1.00 0.00 O ATOM 0 H ASP A 8 7.411 13.086 1.319 1.00 0.00 H new ATOM 0 HA ASP A 8 6.766 14.957 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.289 14.680 3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.526 16.148 2.243 1.00 0.00 H new ATOM 142 N ASP A 9 7.014 15.777 -0.442 1.00 0.00 N ATOM 143 CA ASP A 9 6.756 16.708 -1.533 1.00 0.00 C ATOM 144 C ASP A 9 5.264 16.997 -1.662 1.00 0.00 C ATOM 145 O ASP A 9 4.765 17.264 -2.755 1.00 0.00 O ATOM 146 CB ASP A 9 7.295 16.146 -2.850 1.00 0.00 C ATOM 147 CG ASP A 9 8.807 16.226 -2.938 1.00 0.00 C ATOM 148 OD1 ASP A 9 9.426 16.798 -2.016 1.00 0.00 O ATOM 149 OD2 ASP A 9 9.371 15.716 -3.928 1.00 0.00 O ATOM 0 H ASP A 9 6.812 14.802 -0.664 1.00 0.00 H new ATOM 0 HA ASP A 9 7.270 17.643 -1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.982 15.107 -2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.856 16.695 -3.683 1.00 0.00 H new ATOM 154 N PHE A 10 4.557 16.938 -0.538 1.00 0.00 N ATOM 155 CA PHE A 10 3.121 17.191 -0.526 1.00 0.00 C ATOM 156 C PHE A 10 2.790 18.411 0.329 1.00 0.00 C ATOM 157 O PHE A 10 3.544 18.771 1.234 1.00 0.00 O ATOM 158 CB PHE A 10 2.370 15.966 0.003 1.00 0.00 C ATOM 159 CG PHE A 10 1.977 14.994 -1.071 1.00 0.00 C ATOM 160 CD1 PHE A 10 2.915 14.143 -1.631 1.00 0.00 C ATOM 161 CD2 PHE A 10 0.668 14.934 -1.524 1.00 0.00 C ATOM 162 CE1 PHE A 10 2.556 13.247 -2.621 1.00 0.00 C ATOM 163 CE2 PHE A 10 0.303 14.040 -2.513 1.00 0.00 C ATOM 164 CZ PHE A 10 1.248 13.196 -3.063 1.00 0.00 C ATOM 0 H PHE A 10 4.955 16.717 0.375 1.00 0.00 H new ATOM 0 HA PHE A 10 2.804 17.390 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.996 15.454 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.474 16.298 0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.939 14.180 -1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.075 15.593 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.297 12.588 -3.048 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.721 14.001 -2.856 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.965 12.498 -3.837 1.00 0.00 H new ATOM 174 N ARG A 11 1.660 19.044 0.034 1.00 0.00 N ATOM 175 CA ARG A 11 1.230 20.225 0.775 1.00 0.00 C ATOM 176 C ARG A 11 0.795 19.852 2.189 1.00 0.00 C ATOM 177 O ARG A 11 -0.316 19.369 2.399 1.00 0.00 O ATOM 178 CB ARG A 11 0.082 20.921 0.043 1.00 0.00 C ATOM 179 CG ARG A 11 -0.217 22.317 0.566 1.00 0.00 C ATOM 180 CD ARG A 11 0.909 23.286 0.242 1.00 0.00 C ATOM 181 NE ARG A 11 1.140 23.396 -1.195 1.00 0.00 N ATOM 182 CZ ARG A 11 2.206 23.986 -1.724 1.00 0.00 C ATOM 183 NH1 ARG A 11 3.135 24.514 -0.939 1.00 0.00 N ATOM 184 NH2 ARG A 11 2.346 24.046 -3.042 1.00 0.00 N ATOM 0 H ARG A 11 1.025 18.760 -0.712 1.00 0.00 H new ATOM 0 HA ARG A 11 2.076 20.909 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.324 20.984 -1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.816 20.310 0.129 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.147 22.679 0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.366 22.278 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.669 24.269 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.825 22.955 0.732 1.00 0.00 H new ATOM 0 HE ARG A 11 0.445 22.998 -1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.032 24.468 0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.952 24.966 -1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.635 23.639 -3.649 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.165 24.499 -3.448 1.00 0.00 H new ATOM 198 N ASN A 12 1.680 20.080 3.153 1.00 0.00 N ATOM 199 CA ASN A 12 1.387 19.767 4.548 1.00 0.00 C ATOM 200 C ASN A 12 0.266 20.653 5.081 1.00 0.00 C ATOM 201 O ASN A 12 0.426 21.868 5.201 1.00 0.00 O ATOM 202 CB ASN A 12 2.642 19.942 5.406 1.00 0.00 C ATOM 203 CG ASN A 12 2.516 19.271 6.759 1.00 0.00 C ATOM 204 OD1 ASN A 12 1.585 19.545 7.516 1.00 0.00 O ATOM 205 ND2 ASN A 12 3.456 18.385 7.070 1.00 0.00 N ATOM 0 H ASN A 12 2.605 20.480 2.995 1.00 0.00 H new ATOM 0 HA ASN A 12 1.061 18.728 4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.501 19.528 4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.837 21.005 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.424 17.901 7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.210 18.189 6.412 1.00 0.00 H new ATOM 212 N GLU A 13 -0.868 20.037 5.398 1.00 0.00 N ATOM 213 CA GLU A 13 -2.016 20.770 5.919 1.00 0.00 C ATOM 214 C GLU A 13 -2.954 19.842 6.685 1.00 0.00 C ATOM 215 O GLU A 13 -2.682 18.650 6.832 1.00 0.00 O ATOM 216 CB GLU A 13 -2.774 21.451 4.777 1.00 0.00 C ATOM 217 CG GLU A 13 -3.426 20.473 3.812 1.00 0.00 C ATOM 218 CD GLU A 13 -4.031 21.162 2.604 1.00 0.00 C ATOM 219 OE1 GLU A 13 -4.372 22.358 2.712 1.00 0.00 O ATOM 220 OE2 GLU A 13 -4.164 20.503 1.551 1.00 0.00 O ATOM 0 H GLU A 13 -1.017 19.032 5.303 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.647 21.531 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.542 22.100 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.085 22.089 4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.684 19.748 3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.203 19.916 4.335 1.00 0.00 H new ATOM 227 N PHE A 14 -4.058 20.397 7.172 1.00 0.00 N ATOM 228 CA PHE A 14 -5.037 19.620 7.925 1.00 0.00 C ATOM 229 C PHE A 14 -6.443 19.838 7.375 1.00 0.00 C ATOM 230 O PHE A 14 -7.304 20.404 8.049 1.00 0.00 O ATOM 231 CB PHE A 14 -4.991 20.001 9.406 1.00 0.00 C ATOM 232 CG PHE A 14 -3.614 19.927 10.001 1.00 0.00 C ATOM 233 CD1 PHE A 14 -2.917 18.728 10.022 1.00 0.00 C ATOM 234 CD2 PHE A 14 -3.016 21.054 10.540 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.650 18.657 10.568 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.749 20.989 11.088 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.065 19.789 11.103 1.00 0.00 C ATOM 0 H PHE A 14 -4.298 21.382 7.059 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.785 18.565 7.821 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.375 21.014 9.525 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.655 19.341 9.964 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.370 17.840 9.607 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.546 21.995 10.532 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.117 17.718 10.577 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.294 21.876 11.504 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.075 19.736 11.532 1.00 0.00 H new ATOM 247 N ASP A 15 -6.669 19.386 6.146 1.00 0.00 N ATOM 248 CA ASP A 15 -7.971 19.531 5.506 1.00 0.00 C ATOM 249 C ASP A 15 -9.067 18.890 6.352 1.00 0.00 C ATOM 250 O ASP A 15 -10.044 19.543 6.719 1.00 0.00 O ATOM 251 CB ASP A 15 -7.950 18.899 4.112 1.00 0.00 C ATOM 252 CG ASP A 15 -7.427 19.851 3.054 1.00 0.00 C ATOM 253 OD1 ASP A 15 -7.044 20.984 3.412 1.00 0.00 O ATOM 254 OD2 ASP A 15 -7.400 19.462 1.868 1.00 0.00 O ATOM 0 H ASP A 15 -5.968 18.916 5.574 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.186 20.595 5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.328 18.004 4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.958 18.581 3.845 1.00 0.00 H new ATOM 259 N HIS A 16 -8.898 17.607 6.656 1.00 0.00 N ATOM 260 CA HIS A 16 -9.874 16.877 7.460 1.00 0.00 C ATOM 261 C HIS A 16 -11.229 16.835 6.760 1.00 0.00 C ATOM 262 O HIS A 16 -12.244 17.243 7.325 1.00 0.00 O ATOM 263 CB HIS A 16 -10.017 17.524 8.837 1.00 0.00 C ATOM 264 CG HIS A 16 -10.645 16.625 9.857 1.00 0.00 C ATOM 265 ND1 HIS A 16 -10.639 15.250 9.755 1.00 0.00 N ATOM 266 CD2 HIS A 16 -11.300 16.912 11.007 1.00 0.00 C ATOM 267 CE1 HIS A 16 -11.264 14.730 10.797 1.00 0.00 C ATOM 268 NE2 HIS A 16 -11.674 15.718 11.572 1.00 0.00 N ATOM 0 H HIS A 16 -8.096 17.051 6.359 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.517 15.855 7.584 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.032 17.829 9.190 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.617 18.429 8.744 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.492 17.897 11.406 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.414 13.677 10.983 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.185 15.611 12.448 1.00 0.00 H new ATOM 276 N LEU A 17 -11.238 16.337 5.528 1.00 0.00 N ATOM 277 CA LEU A 17 -12.469 16.242 4.751 1.00 0.00 C ATOM 278 C LEU A 17 -12.851 14.785 4.514 1.00 0.00 C ATOM 279 O LEU A 17 -11.988 13.911 4.427 1.00 0.00 O ATOM 280 CB LEU A 17 -12.306 16.962 3.411 1.00 0.00 C ATOM 281 CG LEU A 17 -11.757 18.387 3.478 1.00 0.00 C ATOM 282 CD1 LEU A 17 -11.001 18.728 2.202 1.00 0.00 C ATOM 283 CD2 LEU A 17 -12.883 19.383 3.714 1.00 0.00 C ATOM 0 H LEU A 17 -10.407 15.993 5.046 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.267 16.720 5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.644 16.368 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.277 16.991 2.916 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.063 18.449 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.617 19.746 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.170 18.034 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.674 18.648 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.473 20.392 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.602 19.319 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.382 19.152 4.655 1.00 0.00 H new ATOM 295 N LEU A 18 -14.150 14.529 4.409 1.00 0.00 N ATOM 296 CA LEU A 18 -14.649 13.177 4.181 1.00 0.00 C ATOM 297 C LEU A 18 -13.953 12.535 2.985 1.00 0.00 C ATOM 298 O LEU A 18 -13.199 11.574 3.136 1.00 0.00 O ATOM 299 CB LEU A 18 -16.161 13.202 3.952 1.00 0.00 C ATOM 300 CG LEU A 18 -17.031 13.158 5.208 1.00 0.00 C ATOM 301 CD1 LEU A 18 -18.503 13.286 4.844 1.00 0.00 C ATOM 302 CD2 LEU A 18 -16.782 11.873 5.985 1.00 0.00 C ATOM 0 H LEU A 18 -14.878 15.240 4.478 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.432 12.582 5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.409 14.105 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.427 12.354 3.320 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.760 14.002 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.106 13.253 5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.670 14.234 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.788 12.464 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.410 11.859 6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.024 11.015 5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -15.734 11.823 6.279 1.00 0.00 H new ATOM 314 N ILE A 19 -14.209 13.075 1.798 1.00 0.00 N ATOM 315 CA ILE A 19 -13.603 12.558 0.577 1.00 0.00 C ATOM 316 C ILE A 19 -12.089 12.447 0.717 1.00 0.00 C ATOM 317 O ILE A 19 -11.486 11.466 0.285 1.00 0.00 O ATOM 318 CB ILE A 19 -13.931 13.449 -0.635 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.409 13.318 -1.009 1.00 0.00 C ATOM 320 CG2 ILE A 19 -13.046 13.082 -1.818 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.798 11.925 -1.452 1.00 0.00 C ATOM 0 H ILE A 19 -14.832 13.870 1.656 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.023 11.566 0.413 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.734 14.487 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.019 13.602 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.637 14.022 -1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.290 13.721 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.000 13.223 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.214 12.039 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.859 11.906 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.214 11.646 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.602 11.219 -0.645 1.00 0.00 H new ATOM 333 N GLU A 20 -11.481 13.459 1.329 1.00 0.00 N ATOM 334 CA GLU A 20 -10.038 13.474 1.528 1.00 0.00 C ATOM 335 C GLU A 20 -9.571 12.201 2.228 1.00 0.00 C ATOM 336 O GLU A 20 -8.683 11.503 1.741 1.00 0.00 O ATOM 337 CB GLU A 20 -9.625 14.699 2.347 1.00 0.00 C ATOM 338 CG GLU A 20 -8.125 14.814 2.558 1.00 0.00 C ATOM 339 CD GLU A 20 -7.345 14.730 1.261 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.886 15.144 0.215 1.00 0.00 O ATOM 341 OE2 GLU A 20 -6.193 14.249 1.293 1.00 0.00 O ATOM 0 H GLU A 20 -11.966 14.278 1.695 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.564 13.524 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.983 15.598 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.118 14.659 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.903 15.761 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.794 14.021 3.228 1.00 0.00 H new ATOM 348 N GLN A 21 -10.179 11.906 3.373 1.00 0.00 N ATOM 349 CA GLN A 21 -9.825 10.718 4.141 1.00 0.00 C ATOM 350 C GLN A 21 -10.081 9.450 3.331 1.00 0.00 C ATOM 351 O GLN A 21 -9.275 8.520 3.345 1.00 0.00 O ATOM 352 CB GLN A 21 -10.621 10.673 5.446 1.00 0.00 C ATOM 353 CG GLN A 21 -10.359 11.860 6.359 1.00 0.00 C ATOM 354 CD GLN A 21 -10.525 11.516 7.826 1.00 0.00 C ATOM 355 OE1 GLN A 21 -11.400 12.053 8.506 1.00 0.00 O ATOM 356 NE2 GLN A 21 -9.686 10.615 8.322 1.00 0.00 N ATOM 0 H GLN A 21 -10.918 12.473 3.789 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.761 10.770 4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.685 10.633 5.212 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.377 9.754 5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.347 12.228 6.188 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.041 12.670 6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.976 10.195 7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.752 10.343 9.303 1.00 0.00 H new ATOM 365 N ALA A 22 -11.208 9.422 2.628 1.00 0.00 N ATOM 366 CA ALA A 22 -11.569 8.269 1.810 1.00 0.00 C ATOM 367 C ALA A 22 -10.533 8.024 0.719 1.00 0.00 C ATOM 368 O ALA A 22 -10.119 6.888 0.489 1.00 0.00 O ATOM 369 CB ALA A 22 -12.947 8.469 1.197 1.00 0.00 C ATOM 0 H ALA A 22 -11.887 10.183 2.608 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.594 7.390 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.204 7.602 0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.685 8.587 1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.941 9.362 0.571 1.00 0.00 H new ATOM 375 N ASN A 23 -10.119 9.095 0.051 1.00 0.00 N ATOM 376 CA ASN A 23 -9.132 8.995 -1.018 1.00 0.00 C ATOM 377 C ASN A 23 -7.801 8.474 -0.482 1.00 0.00 C ATOM 378 O ASN A 23 -7.151 7.639 -1.110 1.00 0.00 O ATOM 379 CB ASN A 23 -8.928 10.358 -1.683 1.00 0.00 C ATOM 380 CG ASN A 23 -9.645 10.464 -3.016 1.00 0.00 C ATOM 381 OD1 ASN A 23 -9.020 10.416 -4.075 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.964 10.610 -2.968 1.00 0.00 N ATOM 0 H ASN A 23 -10.451 10.042 0.231 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.507 8.290 -1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.288 11.142 -1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.862 10.531 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.500 10.687 -3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.441 10.645 -2.067 1.00 0.00 H new ATOM 389 N HIS A 24 -7.403 8.974 0.682 1.00 0.00 N ATOM 390 CA HIS A 24 -6.151 8.559 1.304 1.00 0.00 C ATOM 391 C HIS A 24 -6.202 7.085 1.698 1.00 0.00 C ATOM 392 O HIS A 24 -5.215 6.363 1.563 1.00 0.00 O ATOM 393 CB HIS A 24 -5.858 9.418 2.535 1.00 0.00 C ATOM 394 CG HIS A 24 -5.090 10.666 2.225 1.00 0.00 C ATOM 395 ND1 HIS A 24 -4.639 11.534 3.198 1.00 0.00 N ATOM 396 CD2 HIS A 24 -4.690 11.188 1.042 1.00 0.00 C ATOM 397 CE1 HIS A 24 -3.999 12.537 2.626 1.00 0.00 C ATOM 398 NE2 HIS A 24 -4.013 12.352 1.319 1.00 0.00 N ATOM 0 H HIS A 24 -7.929 9.667 1.214 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.351 8.695 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.800 9.690 3.011 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.296 8.825 3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.869 10.768 0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.541 13.369 3.141 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.591 12.972 0.628 1.00 0.00 H new ATOM 406 N ALA A 25 -7.358 6.648 2.188 1.00 0.00 N ATOM 407 CA ALA A 25 -7.537 5.263 2.600 1.00 0.00 C ATOM 408 C ALA A 25 -7.432 4.317 1.408 1.00 0.00 C ATOM 409 O ALA A 25 -6.680 3.343 1.442 1.00 0.00 O ATOM 410 CB ALA A 25 -8.879 5.089 3.296 1.00 0.00 C ATOM 0 H ALA A 25 -8.184 7.234 2.309 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.740 5.013 3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.000 4.049 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.918 5.730 4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.682 5.363 2.612 1.00 0.00 H new ATOM 416 N ILE A 26 -8.189 4.611 0.357 1.00 0.00 N ATOM 417 CA ILE A 26 -8.179 3.787 -0.846 1.00 0.00 C ATOM 418 C ILE A 26 -6.809 3.805 -1.513 1.00 0.00 C ATOM 419 O ILE A 26 -6.376 2.809 -2.091 1.00 0.00 O ATOM 420 CB ILE A 26 -9.238 4.257 -1.860 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.965 5.703 -2.281 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.634 4.128 -1.266 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.976 6.245 -3.268 1.00 0.00 C ATOM 0 H ILE A 26 -8.817 5.413 0.314 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.415 2.770 -0.533 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.180 3.623 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.959 6.336 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.970 5.763 -2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.372 4.464 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.826 3.086 -1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.705 4.742 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.721 7.274 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.966 5.635 -4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.970 6.217 -2.823 1.00 0.00 H new ATOM 435 N GLU A 27 -6.130 4.944 -1.428 1.00 0.00 N ATOM 436 CA GLU A 27 -4.807 5.092 -2.023 1.00 0.00 C ATOM 437 C GLU A 27 -3.798 4.172 -1.343 1.00 0.00 C ATOM 438 O GLU A 27 -3.181 3.322 -1.987 1.00 0.00 O ATOM 439 CB GLU A 27 -4.337 6.544 -1.924 1.00 0.00 C ATOM 440 CG GLU A 27 -3.036 6.816 -2.661 1.00 0.00 C ATOM 441 CD GLU A 27 -3.154 6.588 -4.155 1.00 0.00 C ATOM 442 OE1 GLU A 27 -4.280 6.693 -4.685 1.00 0.00 O ATOM 443 OE2 GLU A 27 -2.119 6.304 -4.795 1.00 0.00 O ATOM 0 H GLU A 27 -6.474 5.778 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.877 4.812 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.114 7.196 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.211 6.805 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.727 7.845 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.254 6.172 -2.260 1.00 0.00 H new ATOM 450 N LYS A 28 -3.635 4.347 -0.036 1.00 0.00 N ATOM 451 CA LYS A 28 -2.703 3.533 0.734 1.00 0.00 C ATOM 452 C LYS A 28 -3.011 2.048 0.570 1.00 0.00 C ATOM 453 O LYS A 28 -2.131 1.254 0.241 1.00 0.00 O ATOM 454 CB LYS A 28 -2.762 3.916 2.216 1.00 0.00 C ATOM 455 CG LYS A 28 -1.676 3.268 3.055 1.00 0.00 C ATOM 456 CD LYS A 28 -1.746 3.720 4.505 1.00 0.00 C ATOM 457 CE LYS A 28 -1.023 5.041 4.711 1.00 0.00 C ATOM 458 NZ LYS A 28 -0.671 5.264 6.142 1.00 0.00 N ATOM 0 H LYS A 28 -4.137 5.046 0.512 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.698 3.721 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.681 4.999 2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.736 3.634 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.776 2.184 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.699 3.517 2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.789 3.824 4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.304 2.958 5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.116 5.056 4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.653 5.858 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.179 6.175 6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.539 5.275 6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.049 4.498 6.470 1.00 0.00 H new ATOM 472 N GLY A 29 -4.268 1.680 0.800 1.00 0.00 N ATOM 473 CA GLY A 29 -4.670 0.292 0.671 1.00 0.00 C ATOM 474 C GLY A 29 -4.313 -0.291 -0.682 1.00 0.00 C ATOM 475 O GLY A 29 -3.707 -1.359 -0.763 1.00 0.00 O ATOM 0 H GLY A 29 -5.015 2.319 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.192 -0.296 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.746 0.213 0.825 1.00 0.00 H new ATOM 479 N GLU A 30 -4.690 0.411 -1.746 1.00 0.00 N ATOM 480 CA GLU A 30 -4.408 -0.047 -3.101 1.00 0.00 C ATOM 481 C GLU A 30 -2.914 -0.297 -3.291 1.00 0.00 C ATOM 482 O GLU A 30 -2.510 -1.298 -3.882 1.00 0.00 O ATOM 483 CB GLU A 30 -4.897 0.981 -4.123 1.00 0.00 C ATOM 484 CG GLU A 30 -5.056 0.418 -5.525 1.00 0.00 C ATOM 485 CD GLU A 30 -4.770 1.445 -6.603 1.00 0.00 C ATOM 486 OE1 GLU A 30 -3.689 2.068 -6.555 1.00 0.00 O ATOM 487 OE2 GLU A 30 -5.627 1.627 -7.493 1.00 0.00 O ATOM 0 H GLU A 30 -5.191 1.298 -1.696 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.939 -0.986 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.854 1.383 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.194 1.814 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.384 -0.431 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.071 0.041 -5.648 1.00 0.00 H new ATOM 494 N HIS A 31 -2.097 0.622 -2.784 1.00 0.00 N ATOM 495 CA HIS A 31 -0.648 0.502 -2.897 1.00 0.00 C ATOM 496 C HIS A 31 -0.155 -0.777 -2.227 1.00 0.00 C ATOM 497 O HIS A 31 0.644 -1.519 -2.798 1.00 0.00 O ATOM 498 CB HIS A 31 0.036 1.716 -2.269 1.00 0.00 C ATOM 499 CG HIS A 31 1.527 1.706 -2.413 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.371 1.164 -1.468 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.323 2.175 -3.402 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.623 1.301 -1.868 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.621 1.910 -3.040 1.00 0.00 N ATOM 0 H HIS A 31 -2.414 1.457 -2.291 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.393 0.458 -3.956 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.359 2.623 -2.728 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.218 1.758 -1.210 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.998 2.666 -4.307 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.499 0.971 -1.329 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.449 2.145 -3.587 1.00 0.00 H new ATOM 511 N GLN A 32 -0.635 -1.027 -1.014 1.00 0.00 N ATOM 512 CA GLN A 32 -0.243 -2.216 -0.266 1.00 0.00 C ATOM 513 C GLN A 32 -0.706 -3.484 -0.976 1.00 0.00 C ATOM 514 O GLN A 32 -0.049 -4.523 -0.904 1.00 0.00 O ATOM 515 CB GLN A 32 -0.821 -2.169 1.150 1.00 0.00 C ATOM 516 CG GLN A 32 -0.552 -0.860 1.873 1.00 0.00 C ATOM 517 CD GLN A 32 -0.200 -1.061 3.334 1.00 0.00 C ATOM 518 OE1 GLN A 32 -0.794 -0.444 4.218 1.00 0.00 O ATOM 519 NE2 GLN A 32 0.770 -1.928 3.595 1.00 0.00 N ATOM 0 H GLN A 32 -1.296 -0.422 -0.527 1.00 0.00 H new ATOM 0 HA GLN A 32 0.845 -2.233 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.898 -2.332 1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.401 -2.989 1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.264 -0.336 1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.432 -0.222 1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.236 -2.418 2.831 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.050 -2.105 4.560 1.00 0.00 H new ATOM 528 N LEU A 33 -1.841 -3.391 -1.661 1.00 0.00 N ATOM 529 CA LEU A 33 -2.393 -4.531 -2.384 1.00 0.00 C ATOM 530 C LEU A 33 -1.506 -4.907 -3.566 1.00 0.00 C ATOM 531 O LEU A 33 -1.110 -6.064 -3.715 1.00 0.00 O ATOM 532 CB LEU A 33 -3.807 -4.213 -2.873 1.00 0.00 C ATOM 533 CG LEU A 33 -4.477 -5.285 -3.735 1.00 0.00 C ATOM 534 CD1 LEU A 33 -4.092 -5.112 -5.196 1.00 0.00 C ATOM 535 CD2 LEU A 33 -4.101 -6.675 -3.243 1.00 0.00 C ATOM 0 H LEU A 33 -2.396 -2.538 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.434 -5.379 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.438 -4.028 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.772 -3.285 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.558 -5.171 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.578 -5.883 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.411 -4.129 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.011 -5.200 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.586 -7.425 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.020 -6.801 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.428 -6.796 -2.210 1.00 0.00 H new ATOM 547 N LEU A 34 -1.196 -3.924 -4.403 1.00 0.00 N ATOM 548 CA LEU A 34 -0.355 -4.150 -5.572 1.00 0.00 C ATOM 549 C LEU A 34 1.057 -4.554 -5.157 1.00 0.00 C ATOM 550 O LEU A 34 1.722 -5.326 -5.848 1.00 0.00 O ATOM 551 CB LEU A 34 -0.303 -2.891 -6.440 1.00 0.00 C ATOM 552 CG LEU A 34 0.760 -1.859 -6.061 1.00 0.00 C ATOM 553 CD1 LEU A 34 2.059 -2.132 -6.803 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.263 -0.451 -6.354 1.00 0.00 C ATOM 0 H LEU A 34 -1.515 -2.961 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.791 -4.964 -6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.135 -3.193 -7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.279 -2.408 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 34 0.953 -1.941 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.803 -1.387 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.424 -3.126 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.882 -2.079 -7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.032 0.271 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.042 -0.357 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.641 -0.257 -5.777 1.00 0.00 H new ATOM 566 N TYR A 35 1.506 -4.029 -4.022 1.00 0.00 N ATOM 567 CA TYR A 35 2.839 -4.335 -3.514 1.00 0.00 C ATOM 568 C TYR A 35 2.883 -5.734 -2.910 1.00 0.00 C ATOM 569 O TYR A 35 3.816 -6.500 -3.156 1.00 0.00 O ATOM 570 CB TYR A 35 3.257 -3.301 -2.467 1.00 0.00 C ATOM 571 CG TYR A 35 4.528 -3.663 -1.733 1.00 0.00 C ATOM 572 CD1 TYR A 35 4.493 -4.449 -0.588 1.00 0.00 C ATOM 573 CD2 TYR A 35 5.765 -3.220 -2.186 1.00 0.00 C ATOM 574 CE1 TYR A 35 5.652 -4.782 0.086 1.00 0.00 C ATOM 575 CE2 TYR A 35 6.930 -3.549 -1.518 1.00 0.00 C ATOM 576 CZ TYR A 35 6.868 -4.330 -0.383 1.00 0.00 C ATOM 577 OH TYR A 35 8.025 -4.660 0.285 1.00 0.00 O ATOM 0 H TYR A 35 0.967 -3.390 -3.437 1.00 0.00 H new ATOM 0 HA TYR A 35 3.537 -4.298 -4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.392 -2.336 -2.955 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.451 -3.182 -1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.543 -4.806 -0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.817 -2.609 -3.075 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.606 -5.393 0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.883 -3.196 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 35 8.793 -4.263 -0.176 1.00 0.00 H new ATOM 587 N LEU A 36 1.869 -6.062 -2.117 1.00 0.00 N ATOM 588 CA LEU A 36 1.790 -7.370 -1.476 1.00 0.00 C ATOM 589 C LEU A 36 1.531 -8.466 -2.505 1.00 0.00 C ATOM 590 O LEU A 36 1.939 -9.612 -2.320 1.00 0.00 O ATOM 591 CB LEU A 36 0.685 -7.376 -0.418 1.00 0.00 C ATOM 592 CG LEU A 36 1.052 -6.778 0.940 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.144 -6.066 1.551 1.00 0.00 C ATOM 594 CD2 LEU A 36 1.567 -7.861 1.878 1.00 0.00 C ATOM 0 H LEU A 36 1.090 -5.440 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 36 2.747 -7.569 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.172 -6.830 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.363 -8.406 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 36 1.846 -6.047 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.137 -5.647 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.468 -5.264 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.960 -6.776 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.824 -7.417 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.794 -8.616 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.453 -8.326 1.445 1.00 0.00 H new ATOM 606 N GLN A 37 0.854 -8.103 -3.589 1.00 0.00 N ATOM 607 CA GLN A 37 0.542 -9.056 -4.649 1.00 0.00 C ATOM 608 C GLN A 37 1.795 -9.804 -5.094 1.00 0.00 C ATOM 609 O GLN A 37 1.754 -11.009 -5.349 1.00 0.00 O ATOM 610 CB GLN A 37 -0.087 -8.337 -5.843 1.00 0.00 C ATOM 611 CG GLN A 37 -0.827 -9.265 -6.791 1.00 0.00 C ATOM 612 CD GLN A 37 -1.713 -8.516 -7.767 1.00 0.00 C ATOM 613 OE1 GLN A 37 -1.507 -8.573 -8.980 1.00 0.00 O ATOM 614 NE2 GLN A 37 -2.707 -7.809 -7.242 1.00 0.00 N ATOM 0 H GLN A 37 0.511 -7.157 -3.757 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.171 -9.779 -4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.779 -7.579 -5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.695 -7.815 -6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.104 -9.862 -7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.436 -9.959 -6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.841 -7.790 -6.231 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.337 -7.285 -7.850 1.00 0.00 H new ATOM 623 N HIS A 38 2.908 -9.083 -5.185 1.00 0.00 N ATOM 624 CA HIS A 38 4.173 -9.680 -5.598 1.00 0.00 C ATOM 625 C HIS A 38 4.615 -10.757 -4.612 1.00 0.00 C ATOM 626 O HIS A 38 4.867 -11.899 -4.999 1.00 0.00 O ATOM 627 CB HIS A 38 5.254 -8.604 -5.715 1.00 0.00 C ATOM 628 CG HIS A 38 6.251 -8.871 -6.800 1.00 0.00 C ATOM 629 ND1 HIS A 38 6.971 -10.044 -6.889 1.00 0.00 N ATOM 630 CD2 HIS A 38 6.644 -8.110 -7.848 1.00 0.00 C ATOM 631 CE1 HIS A 38 7.765 -9.991 -7.943 1.00 0.00 C ATOM 632 NE2 HIS A 38 7.585 -8.828 -8.543 1.00 0.00 N ATOM 0 H HIS A 38 2.960 -8.085 -4.979 1.00 0.00 H new ATOM 0 HA HIS A 38 4.026 -10.145 -6.573 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.778 -7.641 -5.900 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.779 -8.523 -4.763 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.284 -7.121 -8.092 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.446 -10.767 -8.261 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.067 -8.515 -9.386 1.00 0.00 H new ATOM 640 N GLN A 39 4.705 -10.386 -3.339 1.00 0.00 N ATOM 641 CA GLN A 39 5.116 -11.322 -2.299 1.00 0.00 C ATOM 642 C GLN A 39 4.240 -12.569 -2.310 1.00 0.00 C ATOM 643 O GLN A 39 4.723 -13.682 -2.094 1.00 0.00 O ATOM 644 CB GLN A 39 5.051 -10.651 -0.926 1.00 0.00 C ATOM 645 CG GLN A 39 5.740 -9.296 -0.877 1.00 0.00 C ATOM 646 CD GLN A 39 7.145 -9.335 -1.447 1.00 0.00 C ATOM 647 OE1 GLN A 39 7.455 -8.636 -2.412 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.004 -10.155 -0.852 1.00 0.00 N ATOM 0 H GLN A 39 4.499 -9.445 -3.003 1.00 0.00 H new ATOM 0 HA GLN A 39 6.144 -11.622 -2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.006 -10.529 -0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.509 -11.309 -0.187 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.146 -8.570 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.780 -8.950 0.156 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.705 -10.716 -0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.963 -10.223 -1.192 1.00 0.00 H new ATOM 657 N LEU A 40 2.950 -12.378 -2.563 1.00 0.00 N ATOM 658 CA LEU A 40 2.005 -13.489 -2.603 1.00 0.00 C ATOM 659 C LEU A 40 2.325 -14.435 -3.754 1.00 0.00 C ATOM 660 O LEU A 40 2.446 -15.645 -3.561 1.00 0.00 O ATOM 661 CB LEU A 40 0.575 -12.962 -2.742 1.00 0.00 C ATOM 662 CG LEU A 40 -0.470 -13.975 -3.211 1.00 0.00 C ATOM 663 CD1 LEU A 40 -0.633 -15.088 -2.188 1.00 0.00 C ATOM 664 CD2 LEU A 40 -1.801 -13.286 -3.471 1.00 0.00 C ATOM 0 H LEU A 40 2.534 -11.464 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 40 2.093 -14.043 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.260 -12.565 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.583 -12.127 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.125 -14.418 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.381 -15.799 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.320 -15.600 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.955 -14.664 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.533 -14.022 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.152 -12.815 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.673 -12.527 -4.243 1.00 0.00 H new ATOM 676 N ASP A 41 2.464 -13.877 -4.951 1.00 0.00 N ATOM 677 CA ASP A 41 2.773 -14.670 -6.135 1.00 0.00 C ATOM 678 C ASP A 41 4.024 -15.515 -5.910 1.00 0.00 C ATOM 679 O ASP A 41 4.060 -16.693 -6.265 1.00 0.00 O ATOM 680 CB ASP A 41 2.969 -13.760 -7.349 1.00 0.00 C ATOM 681 CG ASP A 41 3.039 -14.538 -8.648 1.00 0.00 C ATOM 682 OD1 ASP A 41 3.962 -15.365 -8.796 1.00 0.00 O ATOM 683 OD2 ASP A 41 2.171 -14.317 -9.519 1.00 0.00 O ATOM 0 H ASP A 41 2.367 -12.877 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 41 1.933 -15.338 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.148 -13.045 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.886 -13.184 -7.224 1.00 0.00 H new ATOM 688 N GLU A 42 5.046 -14.905 -5.319 1.00 0.00 N ATOM 689 CA GLU A 42 6.299 -15.601 -5.050 1.00 0.00 C ATOM 690 C GLU A 42 6.138 -16.581 -3.891 1.00 0.00 C ATOM 691 O GLU A 42 6.774 -17.637 -3.862 1.00 0.00 O ATOM 692 CB GLU A 42 7.408 -14.597 -4.731 1.00 0.00 C ATOM 693 CG GLU A 42 8.677 -15.241 -4.197 1.00 0.00 C ATOM 694 CD GLU A 42 9.315 -16.188 -5.194 1.00 0.00 C ATOM 695 OE1 GLU A 42 9.959 -15.702 -6.147 1.00 0.00 O ATOM 696 OE2 GLU A 42 9.171 -17.416 -5.020 1.00 0.00 O ATOM 0 H GLU A 42 5.031 -13.931 -5.017 1.00 0.00 H new ATOM 0 HA GLU A 42 6.572 -16.162 -5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.648 -14.035 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.038 -13.880 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.392 -14.462 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.446 -15.785 -3.281 1.00 0.00 H new ATOM 703 N LEU A 43 5.283 -16.226 -2.938 1.00 0.00 N ATOM 704 CA LEU A 43 5.038 -17.074 -1.776 1.00 0.00 C ATOM 705 C LEU A 43 4.255 -18.323 -2.169 1.00 0.00 C ATOM 706 O LEU A 43 4.407 -19.380 -1.558 1.00 0.00 O ATOM 707 CB LEU A 43 4.273 -16.295 -0.704 1.00 0.00 C ATOM 708 CG LEU A 43 4.002 -17.041 0.603 1.00 0.00 C ATOM 709 CD1 LEU A 43 5.122 -16.791 1.601 1.00 0.00 C ATOM 710 CD2 LEU A 43 2.661 -16.622 1.187 1.00 0.00 C ATOM 0 H LEU A 43 4.748 -15.358 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 43 6.002 -17.384 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.833 -15.389 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.318 -15.980 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 43 3.965 -18.109 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.913 -17.329 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.066 -17.140 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.191 -15.724 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.484 -17.163 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.670 -15.550 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.867 -16.852 0.477 1.00 0.00 H new ATOM 722 N ASN A 44 3.418 -18.193 -3.193 1.00 0.00 N ATOM 723 CA ASN A 44 2.613 -19.312 -3.670 1.00 0.00 C ATOM 724 C ASN A 44 3.491 -20.518 -3.987 1.00 0.00 C ATOM 725 O ASN A 44 3.175 -21.644 -3.605 1.00 0.00 O ATOM 726 CB ASN A 44 1.819 -18.904 -4.912 1.00 0.00 C ATOM 727 CG ASN A 44 0.540 -18.165 -4.564 1.00 0.00 C ATOM 728 OD1 ASN A 44 0.124 -18.132 -3.406 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.091 -17.569 -5.569 1.00 0.00 N ATOM 0 H ASN A 44 3.279 -17.324 -3.709 1.00 0.00 H new ATOM 0 HA ASN A 44 1.918 -19.590 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.440 -18.271 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.575 -19.794 -5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.957 -17.058 -5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.290 -17.622 -6.514 1.00 0.00 H new ATOM 736 N GLU A 45 4.593 -20.272 -4.688 1.00 0.00 N ATOM 737 CA GLU A 45 5.517 -21.339 -5.057 1.00 0.00 C ATOM 738 C GLU A 45 6.587 -21.528 -3.985 1.00 0.00 C ATOM 739 O GLU A 45 6.879 -22.651 -3.576 1.00 0.00 O ATOM 740 CB GLU A 45 6.177 -21.030 -6.402 1.00 0.00 C ATOM 741 CG GLU A 45 7.006 -22.179 -6.952 1.00 0.00 C ATOM 742 CD GLU A 45 8.101 -21.711 -7.890 1.00 0.00 C ATOM 743 OE1 GLU A 45 7.770 -21.195 -8.978 1.00 0.00 O ATOM 744 OE2 GLU A 45 9.289 -21.861 -7.536 1.00 0.00 O ATOM 0 H GLU A 45 4.868 -19.345 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 45 4.947 -22.264 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.404 -20.772 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.815 -20.153 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.453 -22.729 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.353 -22.873 -7.480 1.00 0.00 H new ATOM 751 N ASN A 46 7.166 -20.420 -3.534 1.00 0.00 N ATOM 752 CA ASN A 46 8.204 -20.464 -2.511 1.00 0.00 C ATOM 753 C ASN A 46 7.727 -21.234 -1.284 1.00 0.00 C ATOM 754 O ASN A 46 8.495 -21.965 -0.658 1.00 0.00 O ATOM 755 CB ASN A 46 8.612 -19.044 -2.109 1.00 0.00 C ATOM 756 CG ASN A 46 9.867 -19.023 -1.256 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.255 -20.039 -0.679 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.505 -17.861 -1.172 1.00 0.00 N ATOM 0 H ASN A 46 6.934 -19.482 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 46 9.069 -20.980 -2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.776 -18.448 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.795 -18.576 -1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.354 -17.785 -0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.146 -17.045 -1.668 1.00 0.00 H new ATOM 765 N LYS A 47 6.453 -21.065 -0.945 1.00 0.00 N ATOM 766 CA LYS A 47 5.871 -21.746 0.206 1.00 0.00 C ATOM 767 C LYS A 47 6.779 -21.625 1.427 1.00 0.00 C ATOM 768 O LYS A 47 6.863 -22.542 2.242 1.00 0.00 O ATOM 769 CB LYS A 47 5.628 -23.222 -0.117 1.00 0.00 C ATOM 770 CG LYS A 47 4.585 -23.444 -1.199 1.00 0.00 C ATOM 771 CD LYS A 47 3.187 -23.121 -0.700 1.00 0.00 C ATOM 772 CE LYS A 47 2.152 -24.063 -1.296 1.00 0.00 C ATOM 773 NZ LYS A 47 2.284 -24.167 -2.776 1.00 0.00 N ATOM 0 H LYS A 47 5.804 -20.462 -1.451 1.00 0.00 H new ATOM 0 HA LYS A 47 4.918 -21.269 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.568 -23.676 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.313 -23.737 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.817 -22.821 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.622 -24.480 -1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.162 -23.192 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.936 -22.092 -0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.262 -25.052 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.152 -23.710 -1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.361 -24.409 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.609 -23.257 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.974 -24.908 -3.012 1.00 0.00 H new ATOM 787 N SER A 48 7.453 -20.485 1.545 1.00 0.00 N ATOM 788 CA SER A 48 8.356 -20.245 2.665 1.00 0.00 C ATOM 789 C SER A 48 7.572 -19.960 3.943 1.00 0.00 C ATOM 790 O SER A 48 6.625 -19.174 3.943 1.00 0.00 O ATOM 791 CB SER A 48 9.289 -19.073 2.354 1.00 0.00 C ATOM 792 OG SER A 48 10.054 -18.714 3.491 1.00 0.00 O ATOM 0 H SER A 48 7.391 -19.714 0.880 1.00 0.00 H new ATOM 0 HA SER A 48 8.953 -21.144 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.955 -19.342 1.534 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.703 -18.216 2.021 1.00 0.00 H new ATOM 0 HG SER A 48 10.643 -17.964 3.265 1.00 0.00 H new ATOM 798 N LYS A 49 7.976 -20.605 5.033 1.00 0.00 N ATOM 799 CA LYS A 49 7.314 -20.422 6.319 1.00 0.00 C ATOM 800 C LYS A 49 7.464 -18.985 6.809 1.00 0.00 C ATOM 801 O LYS A 49 6.498 -18.368 7.256 1.00 0.00 O ATOM 802 CB LYS A 49 7.892 -21.388 7.355 1.00 0.00 C ATOM 803 CG LYS A 49 9.405 -21.325 7.467 1.00 0.00 C ATOM 804 CD LYS A 49 10.010 -22.709 7.637 1.00 0.00 C ATOM 805 CE LYS A 49 11.317 -22.844 6.871 1.00 0.00 C ATOM 806 NZ LYS A 49 11.754 -24.263 6.764 1.00 0.00 N ATOM 0 H LYS A 49 8.759 -21.259 5.051 1.00 0.00 H new ATOM 0 HA LYS A 49 6.253 -20.633 6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.454 -21.168 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.597 -22.405 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.817 -20.854 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.682 -20.699 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.186 -22.903 8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.303 -23.462 7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.197 -22.425 5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.092 -22.262 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.648 -24.312 6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.893 -24.656 7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.026 -24.814 6.265 1.00 0.00 H new ATOM 820 N GLU A 50 8.682 -18.459 6.719 1.00 0.00 N ATOM 821 CA GLU A 50 8.957 -17.093 7.152 1.00 0.00 C ATOM 822 C GLU A 50 8.182 -16.087 6.306 1.00 0.00 C ATOM 823 O GLU A 50 7.464 -15.237 6.834 1.00 0.00 O ATOM 824 CB GLU A 50 10.456 -16.800 7.068 1.00 0.00 C ATOM 825 CG GLU A 50 11.263 -17.430 8.191 1.00 0.00 C ATOM 826 CD GLU A 50 10.844 -16.934 9.560 1.00 0.00 C ATOM 827 OE1 GLU A 50 11.072 -15.742 9.856 1.00 0.00 O ATOM 828 OE2 GLU A 50 10.287 -17.738 10.337 1.00 0.00 O ATOM 0 H GLU A 50 9.493 -18.957 6.351 1.00 0.00 H new ATOM 0 HA GLU A 50 8.633 -16.995 8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.835 -17.162 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.608 -15.721 7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.150 -18.513 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.320 -17.214 8.039 1.00 0.00 H new ATOM 835 N LEU A 51 8.333 -16.190 4.990 1.00 0.00 N ATOM 836 CA LEU A 51 7.648 -15.289 4.069 1.00 0.00 C ATOM 837 C LEU A 51 6.137 -15.362 4.259 1.00 0.00 C ATOM 838 O LEU A 51 5.438 -14.358 4.135 1.00 0.00 O ATOM 839 CB LEU A 51 8.011 -15.634 2.624 1.00 0.00 C ATOM 840 CG LEU A 51 7.530 -14.650 1.557 1.00 0.00 C ATOM 841 CD1 LEU A 51 8.114 -13.268 1.804 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.899 -15.146 0.167 1.00 0.00 C ATOM 0 H LEU A 51 8.923 -16.888 4.537 1.00 0.00 H new ATOM 0 HA LEU A 51 7.973 -14.271 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.096 -15.715 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.602 -16.618 2.393 1.00 0.00 H new ATOM 0 HG LEU A 51 6.444 -14.580 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.761 -12.581 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.798 -12.909 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.202 -13.322 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.548 -14.433 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.982 -15.247 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.432 -16.115 -0.010 1.00 0.00 H new ATOM 854 N GLN A 52 5.641 -16.558 4.561 1.00 0.00 N ATOM 855 CA GLN A 52 4.212 -16.761 4.768 1.00 0.00 C ATOM 856 C GLN A 52 3.729 -16.008 6.003 1.00 0.00 C ATOM 857 O GLN A 52 2.855 -15.145 5.912 1.00 0.00 O ATOM 858 CB GLN A 52 3.903 -18.252 4.913 1.00 0.00 C ATOM 859 CG GLN A 52 2.548 -18.534 5.543 1.00 0.00 C ATOM 860 CD GLN A 52 1.400 -17.943 4.749 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.329 -16.730 4.548 1.00 0.00 O ATOM 862 NE2 GLN A 52 0.493 -18.799 4.292 1.00 0.00 N ATOM 0 H GLN A 52 6.207 -17.400 4.668 1.00 0.00 H new ATOM 0 HA GLN A 52 3.685 -16.371 3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.941 -18.720 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.680 -18.718 5.518 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.409 -19.612 5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.531 -18.129 6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.591 -19.796 4.482 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.302 -18.459 3.751 1.00 0.00 H new ATOM 871 N GLU A 53 4.303 -16.339 7.155 1.00 0.00 N ATOM 872 CA GLU A 53 3.929 -15.693 8.408 1.00 0.00 C ATOM 873 C GLU A 53 4.132 -14.184 8.324 1.00 0.00 C ATOM 874 O GLU A 53 3.433 -13.414 8.983 1.00 0.00 O ATOM 875 CB GLU A 53 4.749 -16.265 9.566 1.00 0.00 C ATOM 876 CG GLU A 53 4.202 -17.574 10.111 1.00 0.00 C ATOM 877 CD GLU A 53 5.214 -18.321 10.959 1.00 0.00 C ATOM 878 OE1 GLU A 53 6.011 -17.656 11.654 1.00 0.00 O ATOM 879 OE2 GLU A 53 5.209 -19.569 10.928 1.00 0.00 O ATOM 0 H GLU A 53 5.028 -17.050 7.247 1.00 0.00 H new ATOM 0 HA GLU A 53 2.872 -15.890 8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.775 -16.421 9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.784 -15.532 10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.312 -17.371 10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.891 -18.208 9.280 1.00 0.00 H new ATOM 886 N LYS A 54 5.093 -13.766 7.507 1.00 0.00 N ATOM 887 CA LYS A 54 5.389 -12.349 7.334 1.00 0.00 C ATOM 888 C LYS A 54 4.319 -11.670 6.485 1.00 0.00 C ATOM 889 O LYS A 54 3.706 -10.690 6.910 1.00 0.00 O ATOM 890 CB LYS A 54 6.762 -12.170 6.681 1.00 0.00 C ATOM 891 CG LYS A 54 7.922 -12.453 7.620 1.00 0.00 C ATOM 892 CD LYS A 54 8.439 -11.180 8.268 1.00 0.00 C ATOM 893 CE LYS A 54 8.594 -11.343 9.772 1.00 0.00 C ATOM 894 NZ LYS A 54 9.986 -11.713 10.150 1.00 0.00 N ATOM 0 H LYS A 54 5.681 -14.390 6.954 1.00 0.00 H new ATOM 0 HA LYS A 54 5.398 -11.882 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.834 -12.832 5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.848 -11.149 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.603 -13.152 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.729 -12.935 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.400 -10.912 7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.753 -10.359 8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.318 -10.413 10.268 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.905 -12.110 10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.050 -11.815 11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.241 -12.614 9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.641 -10.969 9.834 1.00 0.00 H new ATOM 908 N ILE A 55 4.099 -12.196 5.285 1.00 0.00 N ATOM 909 CA ILE A 55 3.101 -11.641 4.379 1.00 0.00 C ATOM 910 C ILE A 55 1.730 -11.576 5.044 1.00 0.00 C ATOM 911 O ILE A 55 1.095 -10.522 5.077 1.00 0.00 O ATOM 912 CB ILE A 55 2.993 -12.469 3.085 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.256 -12.301 2.238 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.760 -12.058 2.294 1.00 0.00 C ATOM 915 CD1 ILE A 55 4.312 -13.228 1.045 1.00 0.00 C ATOM 0 H ILE A 55 4.598 -13.006 4.917 1.00 0.00 H new ATOM 0 HA ILE A 55 3.429 -10.632 4.129 1.00 0.00 H new ATOM 0 HB ILE A 55 2.895 -13.521 3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.315 -11.270 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.130 -12.476 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.698 -12.652 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.868 -12.225 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.830 -11.002 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.234 -13.053 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.285 -14.263 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.457 -13.038 0.396 1.00 0.00 H new ATOM 927 N ILE A 56 1.282 -12.710 5.574 1.00 0.00 N ATOM 928 CA ILE A 56 -0.012 -12.781 6.241 1.00 0.00 C ATOM 929 C ILE A 56 -0.114 -11.745 7.355 1.00 0.00 C ATOM 930 O ILE A 56 -1.181 -11.181 7.597 1.00 0.00 O ATOM 931 CB ILE A 56 -0.265 -14.180 6.832 1.00 0.00 C ATOM 932 CG1 ILE A 56 -1.657 -14.248 7.461 1.00 0.00 C ATOM 933 CG2 ILE A 56 0.803 -14.521 7.860 1.00 0.00 C ATOM 934 CD1 ILE A 56 -2.097 -15.654 7.805 1.00 0.00 C ATOM 0 H ILE A 56 1.796 -13.591 5.554 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.768 -12.573 5.484 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.215 -14.913 6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.668 -13.641 8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.379 -13.808 6.773 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.611 -15.513 8.269 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.783 -14.509 7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.781 -13.786 8.665 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.093 -15.626 8.247 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.119 -16.260 6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.396 -16.091 8.517 1.00 0.00 H new ATOM 946 N ARG A 57 1.005 -11.497 8.030 1.00 0.00 N ATOM 947 CA ARG A 57 1.041 -10.528 9.118 1.00 0.00 C ATOM 948 C ARG A 57 0.793 -9.116 8.597 1.00 0.00 C ATOM 949 O ARG A 57 -0.082 -8.406 9.093 1.00 0.00 O ATOM 950 CB ARG A 57 2.390 -10.587 9.837 1.00 0.00 C ATOM 951 CG ARG A 57 2.317 -11.216 11.219 1.00 0.00 C ATOM 952 CD ARG A 57 1.703 -12.605 11.167 1.00 0.00 C ATOM 953 NE ARG A 57 2.570 -13.611 11.777 1.00 0.00 N ATOM 954 CZ ARG A 57 2.150 -14.814 12.151 1.00 0.00 C ATOM 955 NH1 ARG A 57 0.882 -15.161 11.978 1.00 0.00 N ATOM 956 NH2 ARG A 57 3.000 -15.674 12.698 1.00 0.00 N ATOM 0 H ARG A 57 1.897 -11.954 7.842 1.00 0.00 H new ATOM 0 HA ARG A 57 0.249 -10.781 9.823 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.093 -11.153 9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.788 -9.576 9.928 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.318 -11.275 11.646 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.726 -10.580 11.878 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.742 -12.596 11.681 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.507 -12.876 10.130 1.00 0.00 H new ATOM 0 HE ARG A 57 3.552 -13.376 11.924 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.226 -14.503 11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.562 -16.086 12.266 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.976 -15.411 12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.677 -16.598 12.985 1.00 0.00 H new ATOM 970 N GLU A 58 1.568 -8.715 7.595 1.00 0.00 N ATOM 971 CA GLU A 58 1.433 -7.386 7.009 1.00 0.00 C ATOM 972 C GLU A 58 0.070 -7.223 6.341 1.00 0.00 C ATOM 973 O GLU A 58 -0.582 -6.188 6.480 1.00 0.00 O ATOM 974 CB GLU A 58 2.545 -7.138 5.988 1.00 0.00 C ATOM 975 CG GLU A 58 3.750 -6.416 6.566 1.00 0.00 C ATOM 976 CD GLU A 58 3.571 -4.909 6.590 1.00 0.00 C ATOM 977 OE1 GLU A 58 2.453 -4.440 6.293 1.00 0.00 O ATOM 978 OE2 GLU A 58 4.550 -4.201 6.907 1.00 0.00 O ATOM 0 H GLU A 58 2.296 -9.291 7.172 1.00 0.00 H new ATOM 0 HA GLU A 58 1.517 -6.653 7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.868 -8.094 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.144 -6.553 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.931 -6.773 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.634 -6.664 5.978 1.00 0.00 H new ATOM 985 N LEU A 59 -0.354 -8.252 5.616 1.00 0.00 N ATOM 986 CA LEU A 59 -1.638 -8.224 4.926 1.00 0.00 C ATOM 987 C LEU A 59 -2.793 -8.199 5.924 1.00 0.00 C ATOM 988 O LEU A 59 -3.849 -7.629 5.650 1.00 0.00 O ATOM 989 CB LEU A 59 -1.772 -9.439 4.006 1.00 0.00 C ATOM 990 CG LEU A 59 -2.825 -9.332 2.902 1.00 0.00 C ATOM 991 CD1 LEU A 59 -2.521 -8.158 1.985 1.00 0.00 C ATOM 992 CD2 LEU A 59 -2.897 -10.628 2.107 1.00 0.00 C ATOM 0 H LEU A 59 0.173 -9.116 5.491 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.680 -7.315 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.804 -9.626 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.004 -10.310 4.619 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.795 -9.160 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.281 -8.098 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.521 -7.234 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.542 -8.298 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.651 -10.534 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.927 -10.830 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.164 -11.449 2.773 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.581 -8.816 7.081 1.00 0.00 N ATOM 1005 CA ASP A 60 -3.602 -8.861 8.121 1.00 0.00 C ATOM 1006 C ASP A 60 -3.786 -7.490 8.762 1.00 0.00 C ATOM 1007 O ASP A 60 -4.897 -6.964 8.822 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.228 -9.891 9.188 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.243 -9.955 10.312 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.431 -10.214 10.025 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -3.850 -9.747 11.478 1.00 0.00 O ATOM 0 H ASP A 60 -1.712 -9.292 7.322 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.544 -9.154 7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.140 -10.874 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.249 -9.644 9.600 1.00 0.00 H new ATOM 1016 N VAL A 61 -2.687 -6.914 9.241 1.00 0.00 N ATOM 1017 CA VAL A 61 -2.727 -5.603 9.878 1.00 0.00 C ATOM 1018 C VAL A 61 -3.231 -4.537 8.912 1.00 0.00 C ATOM 1019 O VAL A 61 -4.042 -3.686 9.277 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.337 -5.191 10.400 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -0.914 -6.084 11.556 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -0.312 -5.235 9.278 1.00 0.00 C ATOM 0 H VAL A 61 -1.759 -7.335 9.200 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.416 -5.681 10.719 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.395 -4.166 10.767 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.070 -5.778 11.911 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.636 -5.995 12.367 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.872 -7.120 11.219 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.664 -4.941 9.665 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.254 -6.247 8.878 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.610 -4.548 8.486 1.00 0.00 H new ATOM 1032 N VAL A 62 -2.745 -4.589 7.676 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.148 -3.629 6.655 1.00 0.00 C ATOM 1034 C VAL A 62 -4.623 -3.789 6.301 1.00 0.00 C ATOM 1035 O VAL A 62 -5.401 -2.840 6.399 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.305 -3.785 5.375 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -2.860 -2.909 4.262 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -0.848 -3.449 5.654 1.00 0.00 C ATOM 0 H VAL A 62 -2.072 -5.286 7.357 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.983 -2.635 7.072 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.358 -4.823 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.253 -3.032 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.888 -3.202 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.838 -1.865 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.266 -3.564 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.773 -2.420 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.459 -4.122 6.418 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.000 -4.995 5.892 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.383 -5.279 5.523 1.00 0.00 C ATOM 1050 C CYS A 63 -7.327 -4.975 6.681 1.00 0.00 C ATOM 1051 O CYS A 63 -8.488 -4.624 6.472 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.529 -6.742 5.101 1.00 0.00 C ATOM 1053 SG CYS A 63 -8.235 -7.252 4.787 1.00 0.00 S ATOM 0 H CYS A 63 -4.369 -5.792 5.807 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.649 -4.637 4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.939 -6.910 4.200 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.108 -7.378 5.880 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.256 -8.503 4.434 1.00 0.00 H new ATOM 1059 N ALA A 64 -6.822 -5.112 7.902 1.00 0.00 N ATOM 1060 CA ALA A 64 -7.621 -4.851 9.094 1.00 0.00 C ATOM 1061 C ALA A 64 -7.910 -3.362 9.244 1.00 0.00 C ATOM 1062 O ALA A 64 -9.069 -2.948 9.298 1.00 0.00 O ATOM 1063 CB ALA A 64 -6.912 -5.380 10.331 1.00 0.00 C ATOM 0 H ALA A 64 -5.863 -5.402 8.093 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.573 -5.371 8.985 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.520 -5.178 11.213 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.761 -6.455 10.232 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.946 -4.886 10.436 1.00 0.00 H new ATOM 1069 N MET A 65 -6.852 -2.561 9.314 1.00 0.00 N ATOM 1070 CA MET A 65 -6.995 -1.117 9.458 1.00 0.00 C ATOM 1071 C MET A 65 -7.726 -0.520 8.260 1.00 0.00 C ATOM 1072 O MET A 65 -8.547 0.385 8.410 1.00 0.00 O ATOM 1073 CB MET A 65 -5.621 -0.460 9.612 1.00 0.00 C ATOM 1074 CG MET A 65 -4.712 -0.666 8.411 1.00 0.00 C ATOM 1075 SD MET A 65 -3.073 0.047 8.650 1.00 0.00 S ATOM 1076 CE MET A 65 -2.202 -1.342 9.372 1.00 0.00 C ATOM 0 H MET A 65 -5.886 -2.887 9.273 1.00 0.00 H new ATOM 0 HA MET A 65 -7.585 -0.923 10.354 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.755 0.609 9.777 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.133 -0.861 10.500 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.614 -1.733 8.213 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.173 -0.219 7.530 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.325 -0.982 9.910 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.862 -1.866 10.063 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.888 -2.025 8.582 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.421 -1.032 7.072 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.049 -0.549 5.848 1.00 0.00 C ATOM 1088 C ILE A 66 -9.545 -0.849 5.844 1.00 0.00 C ATOM 1089 O ILE A 66 -10.361 0.023 5.550 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.408 -1.179 4.599 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.335 -0.250 4.026 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.469 -1.480 3.552 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.221 0.060 5.001 1.00 0.00 C ATOM 0 H ILE A 66 -6.743 -1.781 6.931 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.896 0.530 5.819 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.934 -2.117 4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.909 -0.708 3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.803 0.683 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.999 -1.925 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.200 -2.176 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.970 -0.555 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.497 0.723 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.635 0.547 5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.727 -0.866 5.295 1.00 0.00 H new ATOM 1105 N GLU A 67 -9.895 -2.087 6.175 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.294 -2.501 6.210 1.00 0.00 C ATOM 1107 C GLU A 67 -12.086 -1.656 7.202 1.00 0.00 C ATOM 1108 O GLU A 67 -13.123 -1.087 6.860 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.401 -3.981 6.584 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.230 -4.922 5.403 1.00 0.00 C ATOM 1111 CD GLU A 67 -12.530 -5.172 4.663 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -13.469 -4.365 4.824 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -12.608 -6.175 3.924 1.00 0.00 O ATOM 0 H GLU A 67 -9.231 -2.821 6.423 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.716 -2.353 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.645 -4.213 7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.373 -4.161 7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.498 -4.503 4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.828 -5.872 5.755 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.592 -1.578 8.433 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.266 -0.801 9.456 1.00 0.00 C ATOM 1122 C GLY A 68 -12.318 0.676 9.123 1.00 0.00 C ATOM 1123 O GLY A 68 -13.353 1.320 9.286 1.00 0.00 O ATOM 0 H GLY A 68 -10.736 -2.040 8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.281 -1.177 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.753 -0.938 10.408 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.196 1.215 8.656 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.117 2.626 8.299 1.00 0.00 C ATOM 1129 C ALA A 69 -12.134 2.976 7.218 1.00 0.00 C ATOM 1130 O ALA A 69 -12.962 3.870 7.397 1.00 0.00 O ATOM 1131 CB ALA A 69 -9.711 2.976 7.836 1.00 0.00 C ATOM 0 H ALA A 69 -10.329 0.695 8.516 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.352 3.213 9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.667 4.033 7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.002 2.772 8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.455 2.374 6.964 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.067 2.265 6.097 1.00 0.00 N ATOM 1138 CA GLN A 70 -12.982 2.503 4.987 1.00 0.00 C ATOM 1139 C GLN A 70 -14.424 2.226 5.400 1.00 0.00 C ATOM 1140 O GLN A 70 -15.354 2.865 4.911 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.605 1.627 3.790 1.00 0.00 C ATOM 1142 CG GLN A 70 -13.016 0.172 3.948 1.00 0.00 C ATOM 1143 CD GLN A 70 -12.658 -0.670 2.739 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -12.096 -1.758 2.870 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -12.984 -0.170 1.553 1.00 0.00 N ATOM 0 H GLN A 70 -11.389 1.520 5.934 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.900 3.552 4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.072 2.032 2.892 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.527 1.677 3.639 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.533 -0.244 4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.091 0.119 4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.449 0.736 1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.769 -0.692 0.703 1.00 0.00 H new ATOM 1154 N GLY A 71 -14.601 1.267 6.304 1.00 0.00 N ATOM 1155 CA GLY A 71 -15.932 0.921 6.768 1.00 0.00 C ATOM 1156 C GLY A 71 -16.608 2.067 7.494 1.00 0.00 C ATOM 1157 O GLY A 71 -17.738 2.433 7.173 1.00 0.00 O ATOM 0 H GLY A 71 -13.846 0.724 6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.544 0.622 5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.869 0.060 7.433 1.00 0.00 H new ATOM 1161 N ALA A 72 -15.915 2.634 8.477 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.456 3.744 9.251 1.00 0.00 C ATOM 1163 C ALA A 72 -16.575 5.002 8.397 1.00 0.00 C ATOM 1164 O ALA A 72 -17.577 5.717 8.461 1.00 0.00 O ATOM 1165 CB ALA A 72 -15.586 4.012 10.469 1.00 0.00 C ATOM 0 H ALA A 72 -14.978 2.342 8.756 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.456 3.467 9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.002 4.844 11.038 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.556 3.122 11.097 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.576 4.263 10.146 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.547 5.267 7.598 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.537 6.441 6.730 1.00 0.00 C ATOM 1173 C LEU A 73 -16.689 6.390 5.731 1.00 0.00 C ATOM 1174 O LEU A 73 -17.457 7.343 5.608 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.204 6.536 5.984 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.596 7.934 5.872 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -12.087 7.848 5.706 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -14.219 8.695 4.711 1.00 0.00 C ATOM 0 H LEU A 73 -14.711 4.686 7.533 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.661 7.325 7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.484 5.887 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.345 6.141 4.978 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.809 8.477 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.672 8.853 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.654 7.343 6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.852 7.287 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.774 9.688 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.037 8.155 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.293 8.788 4.872 1.00 0.00 H new ATOM 1190 N GLU A 74 -16.802 5.271 5.022 1.00 0.00 N ATOM 1191 CA GLU A 74 -17.861 5.097 4.035 1.00 0.00 C ATOM 1192 C GLU A 74 -19.236 5.174 4.693 1.00 0.00 C ATOM 1193 O GLU A 74 -20.117 5.897 4.230 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.702 3.756 3.315 1.00 0.00 C ATOM 1195 CG GLU A 74 -16.518 3.713 2.364 1.00 0.00 C ATOM 1196 CD GLU A 74 -16.667 4.675 1.202 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -17.786 4.783 0.660 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -15.663 5.321 0.835 1.00 0.00 O ATOM 0 H GLU A 74 -16.174 4.472 5.113 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.780 5.904 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.590 2.966 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.614 3.542 2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.607 3.951 2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.403 2.700 1.979 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.409 4.422 5.776 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.677 4.403 6.497 1.00 0.00 C ATOM 1207 C ARG A 75 -20.997 5.780 7.070 1.00 0.00 C ATOM 1208 O ARG A 75 -22.163 6.134 7.244 1.00 0.00 O ATOM 1209 CB ARG A 75 -20.631 3.367 7.623 1.00 0.00 C ATOM 1210 CG ARG A 75 -20.808 1.937 7.141 1.00 0.00 C ATOM 1211 CD ARG A 75 -22.256 1.646 6.779 1.00 0.00 C ATOM 1212 NE ARG A 75 -23.037 1.226 7.939 1.00 0.00 N ATOM 1213 CZ ARG A 75 -24.355 1.059 7.916 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -25.035 1.275 6.798 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -24.995 0.675 9.013 1.00 0.00 N ATOM 0 H ARG A 75 -18.688 3.819 6.173 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.463 4.130 5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -19.677 3.451 8.144 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.411 3.596 8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -20.173 1.764 6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -20.480 1.247 7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -22.706 2.537 6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -22.290 0.866 6.018 1.00 0.00 H new ATOM 0 HE ARG A 75 -22.544 1.051 8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -24.546 1.570 5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -26.047 1.146 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -24.475 0.508 9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.007 0.547 8.995 1.00 0.00 H new ATOM 1229 N GLU A 76 -19.954 6.551 7.362 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.125 7.888 7.917 1.00 0.00 C ATOM 1231 C GLU A 76 -20.521 8.882 6.829 1.00 0.00 C ATOM 1232 O GLU A 76 -21.530 9.580 6.947 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.835 8.350 8.600 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.899 9.777 9.118 1.00 0.00 C ATOM 1235 CD GLU A 76 -19.900 9.944 10.245 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -19.505 9.772 11.418 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -21.076 10.248 9.956 1.00 0.00 O ATOM 0 H GLU A 76 -18.983 6.273 7.223 1.00 0.00 H new ATOM 0 HA GLU A 76 -20.925 7.847 8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.614 7.680 9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.009 8.265 7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.911 10.078 9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.165 10.445 8.299 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.722 8.942 5.770 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.988 9.850 4.660 1.00 0.00 C ATOM 1246 C LEU A 77 -21.259 9.446 3.919 1.00 0.00 C ATOM 1247 O LEU A 77 -21.876 10.261 3.234 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.803 9.866 3.694 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.424 8.521 3.073 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.133 8.328 1.742 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -16.916 8.421 2.895 1.00 0.00 C ATOM 0 H LEU A 77 -18.884 8.372 5.656 1.00 0.00 H new ATOM 0 HA LEU A 77 -20.130 10.851 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -19.026 10.565 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.934 10.257 4.223 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.743 7.728 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.851 7.365 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.212 8.354 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.846 9.126 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.665 7.457 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.573 9.222 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.428 8.512 3.866 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.644 8.183 4.062 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.842 7.670 3.409 1.00 0.00 C ATOM 1265 C LYS A 78 -24.096 8.325 3.980 1.00 0.00 C ATOM 1266 O LYS A 78 -25.180 8.216 3.409 1.00 0.00 O ATOM 1267 CB LYS A 78 -22.927 6.150 3.574 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.330 5.378 2.411 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.271 5.346 1.219 1.00 0.00 C ATOM 1270 CE LYS A 78 -22.561 4.871 -0.039 1.00 0.00 C ATOM 1271 NZ LYS A 78 -23.510 4.269 -1.017 1.00 0.00 N ATOM 0 H LYS A 78 -21.143 7.495 4.625 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.779 7.911 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.413 5.863 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -23.972 5.864 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.385 5.835 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.107 4.359 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.111 4.686 1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.682 6.341 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.044 5.711 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -21.800 4.137 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -22.988 3.958 -1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -23.985 3.452 -0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -24.221 4.977 -1.292 1.00 0.00 H new ATOM 1285 N ARG A 79 -23.939 9.006 5.111 1.00 0.00 N ATOM 1286 CA ARG A 79 -25.059 9.678 5.759 1.00 0.00 C ATOM 1287 C ARG A 79 -25.808 10.564 4.768 1.00 0.00 C ATOM 1288 O ARG A 79 -27.027 10.462 4.624 1.00 0.00 O ATOM 1289 CB ARG A 79 -24.563 10.519 6.937 1.00 0.00 C ATOM 1290 CG ARG A 79 -25.642 10.826 7.963 1.00 0.00 C ATOM 1291 CD ARG A 79 -26.391 12.103 7.618 1.00 0.00 C ATOM 1292 NE ARG A 79 -27.281 12.524 8.697 1.00 0.00 N ATOM 1293 CZ ARG A 79 -27.826 13.734 8.771 1.00 0.00 C ATOM 1294 NH1 ARG A 79 -27.574 14.636 7.833 1.00 0.00 N ATOM 1295 NH2 ARG A 79 -28.625 14.042 9.785 1.00 0.00 N ATOM 0 H ARG A 79 -23.048 9.107 5.597 1.00 0.00 H new ATOM 0 HA ARG A 79 -25.744 8.915 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -23.745 9.993 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -24.157 11.457 6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -26.344 9.994 8.015 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -25.190 10.923 8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -25.675 12.898 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -26.972 11.948 6.709 1.00 0.00 H new ATOM 0 HE ARG A 79 -27.496 11.853 9.434 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -26.961 14.402 7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -27.993 15.564 7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -28.821 13.350 10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -29.043 14.971 9.841 1.00 0.00 H new ATOM 1309 N THR A 80 -25.072 11.436 4.086 1.00 0.00 N ATOM 1310 CA THR A 80 -25.666 12.341 3.110 1.00 0.00 C ATOM 1311 C THR A 80 -24.611 12.890 2.157 1.00 0.00 C ATOM 1312 O THR A 80 -23.414 12.817 2.431 1.00 0.00 O ATOM 1313 CB THR A 80 -26.382 13.518 3.799 1.00 0.00 C ATOM 1314 OG1 THR A 80 -25.732 13.831 5.036 1.00 0.00 O ATOM 1315 CG2 THR A 80 -27.844 13.184 4.058 1.00 0.00 C ATOM 0 H THR A 80 -24.062 11.535 4.192 1.00 0.00 H new ATOM 0 HA THR A 80 -26.396 11.762 2.545 1.00 0.00 H new ATOM 0 HB THR A 80 -26.335 14.382 3.136 1.00 0.00 H new ATOM 0 HG1 THR A 80 -25.966 14.743 5.307 1.00 0.00 H new ATOM 0 HG21 THR A 80 -28.330 14.030 4.545 1.00 0.00 H new ATOM 0 HG22 THR A 80 -28.343 12.975 3.112 1.00 0.00 H new ATOM 0 HG23 THR A 80 -27.908 12.308 4.703 1.00 0.00 H new ATOM 1323 N ASP A 81 -25.064 13.441 1.035 1.00 0.00 N ATOM 1324 CA ASP A 81 -24.159 14.005 0.041 1.00 0.00 C ATOM 1325 C ASP A 81 -24.938 14.596 -1.130 1.00 0.00 C ATOM 1326 O ASP A 81 -24.995 14.010 -2.211 1.00 0.00 O ATOM 1327 CB ASP A 81 -23.190 12.935 -0.463 1.00 0.00 C ATOM 1328 CG ASP A 81 -23.835 11.565 -0.551 1.00 0.00 C ATOM 1329 OD1 ASP A 81 -24.481 11.280 -1.581 1.00 0.00 O ATOM 1330 OD2 ASP A 81 -23.693 10.780 0.410 1.00 0.00 O ATOM 0 H ASP A 81 -26.052 13.509 0.792 1.00 0.00 H new ATOM 0 HA ASP A 81 -23.590 14.804 0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -22.816 13.221 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -22.329 12.886 0.203 1.00 0.00 H new ATOM 1335 N LEU A 82 -25.538 15.760 -0.907 1.00 0.00 N ATOM 1336 CA LEU A 82 -26.315 16.430 -1.943 1.00 0.00 C ATOM 1337 C LEU A 82 -25.474 17.478 -2.664 1.00 0.00 C ATOM 1338 O LEU A 82 -25.446 18.644 -2.272 1.00 0.00 O ATOM 1339 CB LEU A 82 -27.554 17.089 -1.333 1.00 0.00 C ATOM 1340 CG LEU A 82 -28.770 17.212 -2.253 1.00 0.00 C ATOM 1341 CD1 LEU A 82 -29.999 17.630 -1.460 1.00 0.00 C ATOM 1342 CD2 LEU A 82 -28.493 18.203 -3.373 1.00 0.00 C ATOM 0 H LEU A 82 -25.501 16.259 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 82 -26.628 15.679 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -27.847 16.520 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -27.279 18.087 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 82 -28.965 16.236 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -30.854 17.712 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -30.209 16.883 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -29.816 18.594 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -29.369 18.278 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -28.272 19.181 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -27.640 17.861 -3.959 1.00 0.00 H new ATOM 1354 N ASN A 83 -24.788 17.053 -3.722 1.00 0.00 N ATOM 1355 CA ASN A 83 -23.946 17.956 -4.499 1.00 0.00 C ATOM 1356 C ASN A 83 -23.343 17.236 -5.701 1.00 0.00 C ATOM 1357 O ASN A 83 -22.934 16.079 -5.603 1.00 0.00 O ATOM 1358 CB ASN A 83 -22.831 18.528 -3.621 1.00 0.00 C ATOM 1359 CG ASN A 83 -22.414 19.921 -4.053 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -21.228 20.195 -4.242 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -23.389 20.809 -4.211 1.00 0.00 N ATOM 0 H ASN A 83 -24.799 16.091 -4.060 1.00 0.00 H new ATOM 0 HA ASN A 83 -24.569 18.773 -4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.167 18.557 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -21.967 17.865 -3.658 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -23.169 21.762 -4.500 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -24.358 20.538 -4.043 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.292 17.929 -6.834 1.00 0.00 N ATOM 1369 CA ILE A 84 -22.738 17.356 -8.054 1.00 0.00 C ATOM 1370 C ILE A 84 -21.317 16.851 -7.829 1.00 0.00 C ATOM 1371 O ILE A 84 -21.018 15.678 -8.060 1.00 0.00 O ATOM 1372 CB ILE A 84 -22.730 18.380 -9.203 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.147 18.891 -9.470 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -22.139 17.762 -10.461 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -25.121 17.798 -9.849 1.00 0.00 C ATOM 0 H ILE A 84 -23.627 18.887 -6.932 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.379 16.518 -8.328 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.108 19.226 -8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -24.514 19.401 -8.580 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -24.113 19.630 -10.270 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -22.141 18.499 -11.264 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -21.116 17.443 -10.263 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.737 16.900 -10.758 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -26.105 18.232 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.777 17.303 -10.757 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -25.184 17.070 -9.040 1.00 0.00 H new ATOM 1387 N LEU A 85 -20.444 17.743 -7.373 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.052 17.388 -7.114 1.00 0.00 C ATOM 1389 C LEU A 85 -18.960 16.261 -6.089 1.00 0.00 C ATOM 1390 O LEU A 85 -18.216 15.299 -6.276 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.278 18.609 -6.616 1.00 0.00 C ATOM 1392 CG LEU A 85 -16.760 18.450 -6.524 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.075 19.806 -6.596 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.376 17.724 -5.243 1.00 0.00 C ATOM 0 H LEU A 85 -20.675 18.717 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.611 17.042 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.496 19.447 -7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.656 18.876 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 85 -16.425 17.852 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -14.995 19.672 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.323 20.289 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.415 20.430 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.292 17.620 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.724 18.295 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.836 16.736 -5.233 1.00 0.00 H new ATOM 1406 N GLU A 86 -19.723 16.387 -5.008 1.00 0.00 N ATOM 1407 CA GLU A 86 -19.727 15.378 -3.955 1.00 0.00 C ATOM 1408 C GLU A 86 -20.114 14.011 -4.513 1.00 0.00 C ATOM 1409 O GLU A 86 -19.449 13.010 -4.249 1.00 0.00 O ATOM 1410 CB GLU A 86 -20.695 15.778 -2.839 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.609 14.886 -1.611 1.00 0.00 C ATOM 1412 CD GLU A 86 -21.376 15.447 -0.430 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -22.250 16.312 -0.644 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -21.101 15.020 0.712 1.00 0.00 O ATOM 0 H GLU A 86 -20.346 17.177 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.719 15.312 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -20.492 16.808 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.714 15.752 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.998 13.898 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.563 14.757 -1.332 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.194 13.979 -5.287 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.672 12.736 -5.881 1.00 0.00 C ATOM 1423 C ARG A 87 -20.584 12.088 -6.733 1.00 0.00 C ATOM 1424 O ARG A 87 -20.364 10.879 -6.663 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.914 12.997 -6.733 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.774 11.762 -6.952 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.819 11.610 -5.858 1.00 0.00 C ATOM 1428 NE ARG A 87 -25.668 10.441 -6.070 1.00 0.00 N ATOM 1429 CZ ARG A 87 -26.623 10.383 -6.992 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -26.849 11.423 -7.783 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -27.353 9.283 -7.124 1.00 0.00 N ATOM 0 H ARG A 87 -21.754 14.799 -5.517 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.932 12.053 -5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.517 13.769 -6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.604 13.390 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -24.268 11.828 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -23.140 10.876 -6.977 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -24.322 11.527 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -25.439 12.506 -5.822 1.00 0.00 H new ATOM 0 HE ARG A 87 -25.520 9.624 -5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -26.289 12.270 -7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -27.583 11.376 -8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -27.181 8.481 -6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -28.086 9.239 -7.832 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.907 12.901 -7.537 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.843 12.407 -8.403 1.00 0.00 C ATOM 1447 C PHE A 88 -17.723 11.774 -7.584 1.00 0.00 C ATOM 1448 O PHE A 88 -17.359 10.619 -7.798 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.283 13.546 -9.259 1.00 0.00 C ATOM 1450 CG PHE A 88 -17.037 13.175 -10.010 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -17.075 12.218 -11.011 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.827 13.782 -9.714 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.929 11.874 -11.705 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.679 13.443 -10.405 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.730 12.486 -11.401 1.00 0.00 C ATOM 0 H PHE A 88 -20.076 13.904 -7.607 1.00 0.00 H new ATOM 0 HA PHE A 88 -19.266 11.644 -9.056 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -19.045 13.864 -9.970 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -18.070 14.401 -8.617 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -18.010 11.735 -11.252 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.780 14.528 -8.935 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.972 11.127 -12.484 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.743 13.926 -10.167 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.833 12.218 -11.940 1.00 0.00 H new ATOM 1465 N ASN A 89 -17.180 12.541 -6.643 1.00 0.00 N ATOM 1466 CA ASN A 89 -16.100 12.056 -5.791 1.00 0.00 C ATOM 1467 C ASN A 89 -16.517 10.787 -5.054 1.00 0.00 C ATOM 1468 O ASN A 89 -15.750 9.829 -4.964 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.694 13.134 -4.784 1.00 0.00 C ATOM 1470 CG ASN A 89 -14.745 14.154 -5.381 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -13.734 14.507 -4.774 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -15.067 14.635 -6.576 1.00 0.00 N ATOM 0 H ASN A 89 -17.470 13.500 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.246 11.822 -6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.587 13.642 -4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.221 12.663 -3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.466 15.325 -7.027 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -15.915 14.314 -7.043 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.737 10.788 -4.529 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.255 9.638 -3.798 1.00 0.00 C ATOM 1481 C TYR A 90 -18.236 8.385 -4.668 1.00 0.00 C ATOM 1482 O TYR A 90 -17.752 7.334 -4.251 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.680 9.915 -3.313 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.739 10.622 -1.979 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.947 11.736 -1.724 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.586 10.177 -0.971 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.997 12.385 -0.506 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.643 10.821 0.251 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.847 11.924 0.478 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.900 12.567 1.694 1.00 0.00 O ATOM 0 H TYR A 90 -18.386 11.572 -4.596 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.611 9.468 -2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.197 10.519 -4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.219 8.971 -3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -18.281 12.100 -2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.210 9.313 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.374 13.249 -0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.307 10.462 1.023 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.307 13.451 1.579 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.766 8.508 -5.882 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.812 7.385 -6.811 1.00 0.00 C ATOM 1502 C GLU A 91 -17.412 6.831 -7.062 1.00 0.00 C ATOM 1503 O GLU A 91 -17.167 5.638 -6.888 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.445 7.817 -8.135 1.00 0.00 C ATOM 1505 CG GLU A 91 -20.099 6.677 -8.898 1.00 0.00 C ATOM 1506 CD GLU A 91 -21.066 7.163 -9.959 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -20.830 8.252 -10.523 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -22.059 6.454 -10.225 1.00 0.00 O ATOM 0 H GLU A 91 -19.169 9.372 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.421 6.600 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.192 8.586 -7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.679 8.271 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.326 6.069 -9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.629 6.033 -8.197 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.498 7.706 -7.470 1.00 0.00 N ATOM 1516 CA GLU A 92 -15.124 7.303 -7.746 1.00 0.00 C ATOM 1517 C GLU A 92 -14.482 6.680 -6.509 1.00 0.00 C ATOM 1518 O GLU A 92 -13.863 5.620 -6.586 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.301 8.506 -8.211 1.00 0.00 C ATOM 1520 CG GLU A 92 -13.052 8.124 -8.988 1.00 0.00 C ATOM 1521 CD GLU A 92 -12.225 9.328 -9.392 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -11.507 9.871 -8.526 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -12.294 9.728 -10.573 1.00 0.00 O ATOM 0 H GLU A 92 -16.684 8.698 -7.617 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.143 6.556 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.926 9.144 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.012 9.096 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.441 7.456 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.340 7.569 -9.881 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.633 7.349 -5.371 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.070 6.861 -4.118 1.00 0.00 C ATOM 1532 C ALA A 93 -14.466 5.410 -3.866 1.00 0.00 C ATOM 1533 O ALA A 93 -13.616 4.567 -3.581 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.519 7.741 -2.960 1.00 0.00 C ATOM 0 H ALA A 93 -15.140 8.230 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.984 6.906 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.091 7.365 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.181 8.764 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.607 7.725 -2.891 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.760 5.127 -3.973 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.266 3.777 -3.756 1.00 0.00 C ATOM 1542 C GLN A 94 -15.720 2.814 -4.805 1.00 0.00 C ATOM 1543 O GLN A 94 -15.443 1.651 -4.513 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.796 3.772 -3.789 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.434 4.373 -2.547 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.931 4.143 -2.489 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.422 3.385 -1.654 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.666 4.799 -3.381 1.00 0.00 N ATOM 0 H GLN A 94 -16.476 5.814 -4.208 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.929 3.444 -2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.134 4.326 -4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.145 2.746 -3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.970 3.942 -1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.234 5.444 -2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.217 5.418 -4.056 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.679 4.683 -3.391 1.00 0.00 H new ATOM 1557 N THR A 95 -15.567 3.307 -6.030 1.00 0.00 N ATOM 1558 CA THR A 95 -15.055 2.492 -7.124 1.00 0.00 C ATOM 1559 C THR A 95 -13.665 1.954 -6.805 1.00 0.00 C ATOM 1560 O THR A 95 -13.417 0.750 -6.898 1.00 0.00 O ATOM 1561 CB THR A 95 -14.995 3.290 -8.440 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.274 3.866 -8.723 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.568 2.396 -9.596 1.00 0.00 C ATOM 0 H THR A 95 -15.791 4.268 -6.289 1.00 0.00 H new ATOM 0 HA THR A 95 -15.746 1.657 -7.246 1.00 0.00 H new ATOM 0 HB THR A 95 -14.258 4.084 -8.324 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.453 4.592 -8.090 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.533 2.981 -10.515 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.580 1.983 -9.391 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.285 1.583 -9.711 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.761 2.851 -6.427 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.394 2.466 -6.094 1.00 0.00 C ATOM 1573 C LEU A 96 -11.367 1.574 -4.856 1.00 0.00 C ATOM 1574 O LEU A 96 -10.653 0.572 -4.816 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.536 3.710 -5.859 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.186 4.528 -7.102 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.386 5.764 -6.719 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.413 3.678 -8.100 1.00 0.00 C ATOM 0 H LEU A 96 -12.950 3.850 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.985 1.904 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.058 4.359 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.608 3.401 -5.378 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.114 4.852 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.146 6.334 -7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.975 6.383 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.464 5.461 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.172 4.277 -8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.491 3.324 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.021 2.824 -8.398 1.00 0.00 H new ATOM 1590 N SER A 97 -12.149 1.945 -3.848 1.00 0.00 N ATOM 1591 CA SER A 97 -12.214 1.179 -2.608 1.00 0.00 C ATOM 1592 C SER A 97 -12.707 -0.240 -2.871 1.00 0.00 C ATOM 1593 O SER A 97 -12.159 -1.208 -2.344 1.00 0.00 O ATOM 1594 CB SER A 97 -13.135 1.874 -1.603 1.00 0.00 C ATOM 1595 OG SER A 97 -13.944 0.933 -0.920 1.00 0.00 O ATOM 0 H SER A 97 -12.747 2.771 -3.865 1.00 0.00 H new ATOM 0 HA SER A 97 -11.209 1.123 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.537 2.435 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.768 2.594 -2.122 1.00 0.00 H new ATOM 0 HG SER A 97 -14.523 1.401 -0.282 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.747 -0.356 -3.691 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.316 -1.656 -4.026 1.00 0.00 C ATOM 1603 C LYS A 98 -13.291 -2.528 -4.746 1.00 0.00 C ATOM 1604 O LYS A 98 -13.114 -3.699 -4.408 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.559 -1.481 -4.902 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.821 -1.183 -4.113 1.00 0.00 C ATOM 1607 CD LYS A 98 -18.068 -1.392 -4.956 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.151 -0.377 -6.087 1.00 0.00 C ATOM 1609 NZ LYS A 98 -17.493 -0.873 -7.327 1.00 0.00 N ATOM 0 H LYS A 98 -14.213 0.435 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.601 -2.151 -3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.383 -0.671 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.712 -2.388 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.862 -1.827 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.792 -0.154 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -18.064 -2.400 -5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.953 -1.309 -4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -19.197 -0.151 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.680 0.555 -5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -16.721 -0.229 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.108 -1.824 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.190 -0.913 -8.098 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.622 -1.950 -5.737 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.614 -2.674 -6.502 1.00 0.00 C ATOM 1625 C ILE A 99 -10.513 -3.207 -5.593 1.00 0.00 C ATOM 1626 O ILE A 99 -10.237 -4.408 -5.571 1.00 0.00 O ATOM 1627 CB ILE A 99 -10.984 -1.784 -7.588 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.058 -1.285 -8.557 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -9.901 -2.547 -8.337 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -11.745 0.065 -9.163 1.00 0.00 C ATOM 0 H ILE A 99 -12.759 -0.983 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.122 -3.511 -6.981 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.526 -0.920 -7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.180 -2.014 -9.358 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.011 -1.226 -8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.465 -1.904 -9.102 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.124 -2.857 -7.638 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.337 -3.428 -8.809 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.549 0.356 -9.839 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.652 0.807 -8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -10.808 0.007 -9.717 1.00 0.00 H new ATOM 1642 N LEU A 100 -9.885 -2.308 -4.844 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.813 -2.686 -3.930 1.00 0.00 C ATOM 1644 C LEU A 100 -9.309 -3.688 -2.893 1.00 0.00 C ATOM 1645 O LEU A 100 -8.552 -4.537 -2.421 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.250 -1.447 -3.232 1.00 0.00 C ATOM 1647 CG LEU A 100 -8.878 -1.094 -1.884 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -8.189 -1.851 -0.759 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -8.809 0.406 -1.641 1.00 0.00 C ATOM 0 H LEU A 100 -10.100 -1.311 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.022 -3.157 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.180 -1.592 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.367 -0.593 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.927 -1.391 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.650 -1.587 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.291 -2.923 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.132 -1.586 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.261 0.640 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.767 0.727 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.350 0.928 -2.431 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.587 -3.586 -2.544 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.186 -4.484 -1.563 1.00 0.00 C ATOM 1663 C LEU A 101 -11.242 -5.912 -2.096 1.00 0.00 C ATOM 1664 O LEU A 101 -10.877 -6.861 -1.401 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.594 -4.007 -1.199 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.729 -3.272 0.135 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -14.156 -2.785 0.333 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -12.306 -4.173 1.286 1.00 0.00 C ATOM 0 H LEU A 101 -11.228 -2.891 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.563 -4.474 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.949 -3.348 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.256 -4.872 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.069 -2.404 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -14.234 -2.264 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.423 -2.104 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.835 -3.637 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -12.409 -3.633 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.939 -5.060 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.267 -4.472 1.151 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.701 -6.058 -3.334 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.803 -7.369 -3.964 1.00 0.00 C ATOM 1682 C LYS A 102 -10.426 -8.006 -4.121 1.00 0.00 C ATOM 1683 O LYS A 102 -10.211 -9.151 -3.725 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.481 -7.252 -5.330 1.00 0.00 C ATOM 1685 CG LYS A 102 -12.629 -8.580 -6.052 1.00 0.00 C ATOM 1686 CD LYS A 102 -12.860 -8.382 -7.542 1.00 0.00 C ATOM 1687 CE LYS A 102 -11.572 -8.007 -8.259 1.00 0.00 C ATOM 1688 NZ LYS A 102 -11.654 -8.276 -9.722 1.00 0.00 N ATOM 0 H LYS A 102 -12.009 -5.283 -3.922 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.408 -8.007 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.468 -6.807 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.904 -6.571 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.732 -9.181 -5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.463 -9.137 -5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.265 -9.297 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.604 -7.601 -7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.359 -6.951 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.742 -8.569 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.757 -8.007 -10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.832 -9.289 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.430 -7.720 -10.134 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.495 -7.255 -4.700 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.137 -7.745 -4.908 1.00 0.00 C ATOM 1704 C ASP A 103 -7.505 -8.171 -3.587 1.00 0.00 C ATOM 1705 O ASP A 103 -6.930 -9.255 -3.482 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.279 -6.667 -5.573 1.00 0.00 C ATOM 1707 CG ASP A 103 -6.057 -7.242 -6.260 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -5.542 -8.277 -5.786 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -5.613 -6.659 -7.271 1.00 0.00 O ATOM 0 H ASP A 103 -9.656 -6.305 -5.034 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.187 -8.614 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.882 -6.126 -6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.963 -5.943 -4.822 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.616 -7.311 -2.580 1.00 0.00 N ATOM 1715 CA LEU A 104 -7.055 -7.598 -1.264 1.00 0.00 C ATOM 1716 C LEU A 104 -7.619 -8.899 -0.703 1.00 0.00 C ATOM 1717 O LEU A 104 -6.874 -9.761 -0.237 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.346 -6.445 -0.302 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.485 -6.391 0.961 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -5.010 -6.316 0.600 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.885 -5.207 1.829 1.00 0.00 C ATOM 0 H LEU A 104 -8.089 -6.410 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.976 -7.709 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.222 -5.507 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.392 -6.504 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.652 -7.306 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.414 -6.278 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.732 -7.196 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.825 -5.419 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.262 -5.184 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.749 -4.282 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.931 -5.305 2.118 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.940 -9.035 -0.753 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.605 -10.233 -0.254 1.00 0.00 C ATOM 1735 C LYS A 105 -9.030 -11.486 -0.904 1.00 0.00 C ATOM 1736 O LYS A 105 -8.642 -12.430 -0.217 1.00 0.00 O ATOM 1737 CB LYS A 105 -11.111 -10.152 -0.517 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.887 -9.466 0.593 1.00 0.00 C ATOM 1739 CD LYS A 105 -13.267 -9.036 0.124 1.00 0.00 C ATOM 1740 CE LYS A 105 -14.236 -10.209 0.094 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.060 -11.042 -1.129 1.00 0.00 N ATOM 0 H LYS A 105 -9.571 -8.330 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.433 -10.293 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.280 -9.616 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.502 -11.160 -0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.985 -10.143 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.332 -8.595 0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.653 -8.261 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.194 -8.597 -0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.086 -10.827 0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.259 -9.836 0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.992 -11.307 -1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.538 -10.499 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.526 -11.902 -0.889 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.979 -11.487 -2.233 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.451 -12.626 -2.975 1.00 0.00 C ATOM 1757 C GLU A 106 -7.042 -12.975 -2.504 1.00 0.00 C ATOM 1758 O GLU A 106 -6.726 -14.142 -2.265 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.440 -12.324 -4.475 1.00 0.00 C ATOM 1760 CG GLU A 106 -8.096 -13.528 -5.336 1.00 0.00 C ATOM 1761 CD GLU A 106 -8.683 -13.435 -6.730 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -8.700 -12.320 -7.293 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -9.125 -14.476 -7.259 1.00 0.00 O ATOM 0 H GLU A 106 -9.296 -10.713 -2.817 1.00 0.00 H new ATOM 0 HA GLU A 106 -9.100 -13.482 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.420 -11.946 -4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.720 -11.530 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.012 -13.621 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.462 -14.433 -4.851 1.00 0.00 H new ATOM 1770 N THR A 107 -6.198 -11.957 -2.374 1.00 0.00 N ATOM 1771 CA THR A 107 -4.823 -12.155 -1.935 1.00 0.00 C ATOM 1772 C THR A 107 -4.774 -12.872 -0.590 1.00 0.00 C ATOM 1773 O THR A 107 -4.063 -13.864 -0.432 1.00 0.00 O ATOM 1774 CB THR A 107 -4.072 -10.816 -1.817 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.073 -10.141 -3.081 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.639 -11.037 -1.357 1.00 0.00 C ATOM 0 H THR A 107 -6.443 -10.986 -2.567 1.00 0.00 H new ATOM 0 HA THR A 107 -4.335 -12.771 -2.691 1.00 0.00 H new ATOM 0 HB THR A 107 -4.584 -10.202 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.981 -9.837 -3.289 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.129 -10.077 -1.281 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.641 -11.525 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.119 -11.668 -2.078 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.534 -12.363 0.374 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.576 -12.956 1.706 1.00 0.00 C ATOM 1786 C GLU A 108 -5.960 -14.431 1.633 1.00 0.00 C ATOM 1787 O GLU A 108 -5.318 -15.281 2.250 1.00 0.00 O ATOM 1788 CB GLU A 108 -6.568 -12.202 2.593 1.00 0.00 C ATOM 1789 CG GLU A 108 -6.370 -12.455 4.079 1.00 0.00 C ATOM 1790 CD GLU A 108 -5.141 -11.760 4.631 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -5.224 -10.548 4.919 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -4.097 -12.429 4.774 1.00 0.00 O ATOM 0 H GLU A 108 -6.129 -11.542 0.258 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.580 -12.879 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.476 -11.133 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.582 -12.490 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.251 -12.113 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.285 -13.528 4.253 1.00 0.00 H new ATOM 1799 N GLN A 109 -7.012 -14.726 0.876 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.483 -16.096 0.723 1.00 0.00 C ATOM 1801 C GLN A 109 -6.359 -17.008 0.240 1.00 0.00 C ATOM 1802 O GLN A 109 -6.071 -18.035 0.854 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.656 -16.149 -0.257 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.827 -15.268 0.147 1.00 0.00 C ATOM 1805 CD GLN A 109 -11.164 -15.964 -0.010 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -12.075 -15.447 -0.656 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -11.289 -17.147 0.582 1.00 0.00 N ATOM 0 H GLN A 109 -7.554 -14.034 0.359 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.818 -16.449 1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.308 -15.846 -1.244 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -9.000 -17.180 -0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.703 -14.959 1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.820 -14.362 -0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.508 -17.539 1.108 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.166 -17.663 0.510 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.729 -16.625 -0.865 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.636 -17.406 -1.432 1.00 0.00 C ATOM 1818 C LYS A 110 -3.562 -17.681 -0.384 1.00 0.00 C ATOM 1819 O LYS A 110 -3.114 -18.816 -0.223 1.00 0.00 O ATOM 1820 CB LYS A 110 -4.021 -16.670 -2.625 1.00 0.00 C ATOM 1821 CG LYS A 110 -3.915 -17.525 -3.877 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.338 -16.754 -5.116 1.00 0.00 C ATOM 1823 CE LYS A 110 -5.613 -17.326 -5.719 1.00 0.00 C ATOM 1824 NZ LYS A 110 -5.382 -18.661 -6.336 1.00 0.00 N ATOM 0 H LYS A 110 -5.957 -15.778 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.042 -18.359 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.622 -15.788 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -3.027 -16.317 -2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.889 -17.872 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.540 -18.411 -3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.494 -15.706 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.538 -16.785 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.375 -17.411 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.999 -16.639 -6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.216 -18.934 -6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.549 -18.617 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.220 -19.366 -5.588 1.00 0.00 H new ATOM 1838 N VAL A 111 -3.155 -16.635 0.327 1.00 0.00 N ATOM 1839 CA VAL A 111 -2.136 -16.764 1.363 1.00 0.00 C ATOM 1840 C VAL A 111 -2.530 -17.816 2.393 1.00 0.00 C ATOM 1841 O VAL A 111 -1.736 -18.691 2.739 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.892 -15.424 2.081 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -1.033 -15.630 3.319 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -1.248 -14.422 1.135 1.00 0.00 C ATOM 0 H VAL A 111 -3.515 -15.688 0.205 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.217 -17.073 0.866 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.854 -15.022 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.871 -14.672 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.539 -16.311 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.072 -16.055 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.083 -13.481 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.293 -14.814 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.906 -14.252 0.283 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.763 -17.727 2.880 1.00 0.00 N ATOM 1855 CA LYS A 112 -4.265 -18.672 3.870 1.00 0.00 C ATOM 1856 C LYS A 112 -4.248 -20.095 3.322 1.00 0.00 C ATOM 1857 O LYS A 112 -4.006 -21.051 4.060 1.00 0.00 O ATOM 1858 CB LYS A 112 -5.688 -18.294 4.291 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.772 -16.966 5.025 1.00 0.00 C ATOM 1860 CD LYS A 112 -7.024 -16.196 4.641 1.00 0.00 C ATOM 1861 CE LYS A 112 -8.285 -16.944 5.043 1.00 0.00 C ATOM 1862 NZ LYS A 112 -8.739 -17.878 3.976 1.00 0.00 N ATOM 0 H LYS A 112 -4.433 -17.009 2.605 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.611 -18.629 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.321 -18.250 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.090 -19.080 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.768 -17.143 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.891 -16.367 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.012 -15.217 5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.030 -16.023 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.099 -17.503 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.078 -16.229 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.754 -17.737 3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.207 -17.692 3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.573 -18.859 4.280 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.503 -20.227 2.025 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.514 -21.534 1.378 1.00 0.00 C ATOM 1878 C ASP A 113 -3.122 -22.158 1.389 1.00 0.00 C ATOM 1879 O ASP A 113 -2.965 -23.344 1.682 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.020 -21.411 -0.059 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.063 -22.747 -0.775 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -5.651 -23.698 -0.219 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -4.509 -22.842 -1.890 1.00 0.00 O ATOM 0 H ASP A 113 -4.705 -19.446 1.401 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.188 -22.183 1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.018 -20.973 -0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.375 -20.727 -0.611 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.116 -21.352 1.069 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.737 -21.825 1.043 1.00 0.00 C ATOM 1890 C ILE A 114 -0.335 -22.422 2.386 1.00 0.00 C ATOM 1891 O ILE A 114 -0.651 -21.870 3.441 1.00 0.00 O ATOM 1892 CB ILE A 114 0.241 -20.690 0.683 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.387 -20.576 -0.836 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.594 -20.932 1.335 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.867 -20.091 -1.528 1.00 0.00 C ATOM 0 H ILE A 114 -2.229 -20.368 0.824 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.683 -22.597 0.275 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.160 -19.750 1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.205 -19.893 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.662 -21.550 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.275 -20.122 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.475 -20.968 2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 114 2.003 -21.879 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.691 -20.034 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.683 -20.786 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.132 -19.103 -1.151 1.00 0.00 H new ATOM 1907 N GLN A 115 0.366 -23.551 2.341 1.00 0.00 N ATOM 1908 CA GLN A 115 0.813 -24.221 3.556 1.00 0.00 C ATOM 1909 C GLN A 115 2.328 -24.129 3.703 1.00 0.00 C ATOM 1910 O GLN A 115 3.068 -24.270 2.728 1.00 0.00 O ATOM 1911 CB GLN A 115 0.378 -25.687 3.544 1.00 0.00 C ATOM 1912 CG GLN A 115 0.928 -26.476 2.367 1.00 0.00 C ATOM 1913 CD GLN A 115 -0.090 -27.434 1.779 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -1.141 -27.680 2.371 1.00 0.00 O ATOM 1915 NE2 GLN A 115 0.218 -27.980 0.609 1.00 0.00 N ATOM 0 H GLN A 115 0.636 -24.020 1.477 1.00 0.00 H new ATOM 0 HA GLN A 115 0.353 -23.720 4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.701 -26.161 4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.711 -25.734 3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.259 -25.783 1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.805 -27.037 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.101 -27.747 0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -0.428 -28.632 0.165 1.00 0.00 H new ATOM 1924 N THR A 116 2.786 -23.890 4.928 1.00 0.00 N ATOM 1925 CA THR A 116 4.213 -23.778 5.202 1.00 0.00 C ATOM 1926 C THR A 116 4.541 -24.249 6.614 1.00 0.00 C ATOM 1927 O THR A 116 3.658 -24.688 7.351 1.00 0.00 O ATOM 1928 CB THR A 116 4.706 -22.329 5.027 1.00 0.00 C ATOM 1929 OG1 THR A 116 4.098 -21.484 6.009 1.00 0.00 O ATOM 1930 CG2 THR A 116 4.384 -21.812 3.634 1.00 0.00 C ATOM 0 H THR A 116 2.189 -23.770 5.746 1.00 0.00 H new ATOM 0 HA THR A 116 4.724 -24.417 4.482 1.00 0.00 H new ATOM 0 HB THR A 116 5.788 -22.318 5.159 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.127 -21.616 5.998 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.742 -20.787 3.535 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.873 -22.441 2.890 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.306 -21.837 3.477 1.00 0.00 H new ATOM 1938 N GLN A 117 5.813 -24.150 6.987 1.00 0.00 N ATOM 1939 CA GLN A 117 6.254 -24.566 8.312 1.00 0.00 C ATOM 1940 C GLN A 117 6.432 -23.361 9.229 1.00 0.00 C ATOM 1941 O GLN A 117 7.107 -23.442 10.257 1.00 0.00 O ATOM 1942 CB GLN A 117 7.568 -25.345 8.214 1.00 0.00 C ATOM 1943 CG GLN A 117 7.377 -26.850 8.122 1.00 0.00 C ATOM 1944 CD GLN A 117 7.060 -27.481 9.462 1.00 0.00 C ATOM 1945 OE1 GLN A 117 7.924 -27.588 10.332 1.00 0.00 O ATOM 1946 NE2 GLN A 117 5.812 -27.905 9.637 1.00 0.00 N ATOM 0 H GLN A 117 6.555 -23.785 6.390 1.00 0.00 H new ATOM 0 HA GLN A 117 5.486 -25.213 8.736 1.00 0.00 H new ATOM 0 HB2 GLN A 117 8.119 -25.003 7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.182 -25.118 9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.570 -27.068 7.422 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.282 -27.303 7.716 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.127 -27.797 8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.540 -28.339 10.519 1.00 0.00 H new TER 1955 GLN A 117