USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 713 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 45 LYS NZ :NH3+ 163:sc= 1.34 (180deg=0.579) USER MOD Set 1.2: A 59 MET CE :methyl -156:sc= -1.12 (180deg=-1.76!) USER MOD Single : A 21 TYR OH : rot 2:sc= 0.918 USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= 1.48 (180deg=-0.0408!) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= 1.16 (180deg=0.9) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -129:sc= 0.264 USER MOD Single : A 35 HIS : no HE2:sc= -0.454 K(o=-0.45,f=-1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 1.19 (180deg=1.1) USER MOD Single : A 40 MET CE :methyl -124:sc= 0 (180deg=-0.0486) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -56:sc= -1.09 USER MOD Single : A 43 HIS : no HD1:sc= -0.0745 X(o=-0.075,f=-0.019) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= 2.13 (180deg=1.71) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 2.28 (180deg=1.87) USER MOD Single : A 50 SER OG : rot 68:sc= 1.26 USER MOD Single : A 51 TYR OH : rot -140:sc= -1.4 USER MOD Single : A 52 CYS SG : rot 68:sc= -1.61! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 55 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.13) USER MOD Single : A 60 ASN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 61 SER OG : rot -73:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 74 ASN : amide:sc= 0.0923 K(o=0.092,f=-3.6!) USER MOD Single : A 75 HIS : no HD1:sc= 0.533 K(o=0.53,f=-6!) USER MOD Single : A 76 THR OG1 : rot 5:sc= 0.157 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 166:sc= 0.16 USER MOD Single : A 92 GLN : amide:sc= 0.997 K(o=1,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : B 357 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.44) USER MOD Single : B 358 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 2.773 6.237 9.443 1.00 10.00 N ATOM 2 CA TYR A 21 2.925 5.314 8.302 1.00 10.00 C ATOM 3 C TYR A 21 1.578 4.703 7.928 1.00 10.00 C ATOM 4 O TYR A 21 0.742 4.440 8.795 1.00 10.00 O ATOM 5 CB TYR A 21 3.921 4.203 8.649 1.00 10.00 C ATOM 6 CG TYR A 21 5.339 4.467 8.182 1.00 10.00 C ATOM 7 CD1 TYR A 21 5.977 3.592 7.311 1.00 10.00 C ATOM 8 CD2 TYR A 21 6.042 5.586 8.615 1.00 10.00 C ATOM 9 CE1 TYR A 21 7.272 3.825 6.882 1.00 10.00 C ATOM 10 CE2 TYR A 21 7.335 5.824 8.190 1.00 10.00 C ATOM 11 CZ TYR A 21 7.946 4.942 7.324 1.00 10.00 C ATOM 12 OH TYR A 21 9.236 5.181 6.899 1.00 10.00 O ATOM 0 HA TYR A 21 3.304 5.879 7.450 1.00 10.00 H new ATOM 0 HB2 TYR A 21 3.927 4.062 9.730 1.00 10.00 H new ATOM 0 HB3 TYR A 21 3.574 3.269 8.207 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.453 2.714 6.963 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.570 6.280 9.294 1.00 10.00 H new ATOM 0 HE1 TYR A 21 7.752 3.135 6.204 1.00 10.00 H new ATOM 0 HE2 TYR A 21 7.866 6.699 8.535 1.00 10.00 H new ATOM 0 HH TYR A 21 9.508 4.482 6.268 1.00 10.00 H new ATOM 22 N ILE A 22 1.373 4.493 6.636 1.00 10.00 N ATOM 23 CA ILE A 22 0.139 3.907 6.127 1.00 10.00 C ATOM 24 C ILE A 22 0.400 2.472 5.691 1.00 10.00 C ATOM 25 O ILE A 22 1.278 2.222 4.867 1.00 10.00 O ATOM 26 CB ILE A 22 -0.418 4.711 4.926 1.00 10.00 C ATOM 27 CG1 ILE A 22 -0.894 6.095 5.374 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.550 3.951 4.241 1.00 10.00 C ATOM 29 CD1 ILE A 22 -2.191 6.077 6.155 1.00 10.00 C ATOM 0 H ILE A 22 2.054 4.723 5.912 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.600 3.931 6.927 1.00 10.00 H new ATOM 0 HB ILE A 22 0.389 4.842 4.205 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -0.119 6.554 5.988 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -1.020 6.727 4.495 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.925 4.536 3.401 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.178 2.993 3.879 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.357 3.781 4.953 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -2.461 7.095 6.436 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.981 5.649 5.538 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -2.066 5.474 7.054 1.00 10.00 H new ATOM 41 N LYS A 23 -0.339 1.536 6.253 1.00 10.00 N ATOM 42 CA LYS A 23 -0.163 0.138 5.906 1.00 10.00 C ATOM 43 C LYS A 23 -1.173 -0.285 4.846 1.00 10.00 C ATOM 44 O LYS A 23 -2.369 -0.411 5.118 1.00 10.00 O ATOM 45 CB LYS A 23 -0.294 -0.739 7.149 1.00 10.00 C ATOM 46 CG LYS A 23 0.047 -2.197 6.905 1.00 10.00 C ATOM 47 CD LYS A 23 -0.458 -3.087 8.029 1.00 10.00 C ATOM 48 CE LYS A 23 -1.962 -3.301 7.944 1.00 10.00 C ATOM 49 NZ LYS A 23 -2.729 -2.298 8.735 1.00 10.00 N ATOM 0 H LYS A 23 -1.063 1.715 6.948 1.00 10.00 H new ATOM 0 HA LYS A 23 0.838 0.010 5.494 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.359 -0.348 7.929 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.315 -0.672 7.524 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.390 -2.520 5.960 1.00 10.00 H new ATOM 0 HG3 LYS A 23 1.127 -2.307 6.810 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.050 -4.051 7.986 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.208 -2.637 8.990 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.274 -3.251 6.901 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.204 -4.302 8.301 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.615 -2.726 9.072 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.161 -1.991 9.550 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.947 -1.477 8.136 1.00 10.00 H new ATOM 63 N LEU A 24 -0.686 -0.494 3.635 1.00 10.00 N ATOM 64 CA LEU A 24 -1.533 -0.905 2.528 1.00 10.00 C ATOM 65 C LEU A 24 -1.534 -2.423 2.414 1.00 10.00 C ATOM 66 O LEU A 24 -0.487 -3.063 2.546 1.00 10.00 O ATOM 67 CB LEU A 24 -1.041 -0.279 1.220 1.00 10.00 C ATOM 68 CG LEU A 24 -0.988 1.254 1.206 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.284 1.755 -0.045 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.388 1.839 1.296 1.00 10.00 C ATOM 0 H LEU A 24 0.299 -0.385 3.392 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.550 -0.561 2.716 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -0.043 -0.663 1.006 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -1.691 -0.611 0.410 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.420 1.583 2.076 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.257 2.845 -0.036 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.734 1.367 -0.070 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -0.824 1.413 -0.928 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.329 2.927 1.285 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -2.980 1.499 0.446 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.861 1.511 2.222 1.00 10.00 H new ATOM 82 N LYS A 25 -2.706 -2.994 2.183 1.00 10.00 N ATOM 83 CA LYS A 25 -2.836 -4.437 2.055 1.00 10.00 C ATOM 84 C LYS A 25 -2.902 -4.846 0.592 1.00 10.00 C ATOM 85 O LYS A 25 -3.909 -4.626 -0.087 1.00 10.00 O ATOM 86 CB LYS A 25 -4.081 -4.939 2.789 1.00 10.00 C ATOM 87 CG LYS A 25 -3.925 -4.987 4.301 1.00 10.00 C ATOM 88 CD LYS A 25 -5.036 -5.795 4.951 1.00 10.00 C ATOM 89 CE LYS A 25 -4.843 -7.290 4.739 1.00 10.00 C ATOM 90 NZ LYS A 25 -5.950 -8.086 5.335 1.00 10.00 N ATOM 0 H LYS A 25 -3.581 -2.480 2.080 1.00 10.00 H new ATOM 0 HA LYS A 25 -1.954 -4.891 2.508 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -4.923 -4.293 2.540 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.327 -5.937 2.427 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -2.959 -5.425 4.554 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -3.930 -3.973 4.701 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -5.065 -5.580 6.019 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -5.997 -5.490 4.538 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -4.780 -7.499 3.671 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -3.896 -7.599 5.181 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -5.647 -9.075 5.444 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -6.196 -7.695 6.267 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -6.781 -8.045 4.712 1.00 10.00 H new ATOM 104 N VAL A 26 -1.820 -5.433 0.114 1.00 10.00 N ATOM 105 CA VAL A 26 -1.744 -5.893 -1.260 1.00 10.00 C ATOM 106 C VAL A 26 -2.249 -7.327 -1.339 1.00 10.00 C ATOM 107 O VAL A 26 -1.838 -8.179 -0.547 1.00 10.00 O ATOM 108 CB VAL A 26 -0.300 -5.827 -1.803 1.00 10.00 C ATOM 109 CG1 VAL A 26 -0.290 -5.931 -3.318 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.396 -4.550 -1.349 1.00 10.00 C ATOM 0 H VAL A 26 -0.976 -5.603 0.662 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.364 -5.238 -1.872 1.00 10.00 H new ATOM 0 HB VAL A 26 0.251 -6.675 -1.397 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.737 -5.882 -3.679 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -0.737 -6.878 -3.621 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.864 -5.107 -3.743 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.411 -4.528 -1.745 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.155 -3.685 -1.717 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.431 -4.522 -0.260 1.00 10.00 H new ATOM 120 N ILE A 27 -3.154 -7.589 -2.269 1.00 10.00 N ATOM 121 CA ILE A 27 -3.707 -8.925 -2.429 1.00 10.00 C ATOM 122 C ILE A 27 -2.889 -9.732 -3.427 1.00 10.00 C ATOM 123 O ILE A 27 -2.867 -9.427 -4.621 1.00 10.00 O ATOM 124 CB ILE A 27 -5.182 -8.882 -2.884 1.00 10.00 C ATOM 125 CG1 ILE A 27 -6.007 -7.987 -1.949 1.00 10.00 C ATOM 126 CG2 ILE A 27 -5.768 -10.288 -2.935 1.00 10.00 C ATOM 127 CD1 ILE A 27 -6.007 -8.439 -0.502 1.00 10.00 C ATOM 0 H ILE A 27 -3.520 -6.897 -2.923 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.663 -9.408 -1.453 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.220 -8.458 -3.888 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.619 -6.970 -2.001 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -7.035 -7.954 -2.308 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.808 -10.237 -3.258 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.199 -10.894 -3.640 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -5.717 -10.740 -1.944 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -6.612 -7.755 0.093 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.424 -9.444 -0.435 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.985 -8.444 -0.122 1.00 10.00 H new ATOM 139 N GLY A 28 -2.202 -10.747 -2.920 1.00 10.00 N ATOM 140 CA GLY A 28 -1.388 -11.596 -3.763 1.00 10.00 C ATOM 141 C GLY A 28 -2.219 -12.594 -4.545 1.00 10.00 C ATOM 142 O GLY A 28 -3.338 -12.927 -4.150 1.00 10.00 O ATOM 0 H GLY A 28 -2.195 -10.998 -1.931 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -0.819 -10.977 -4.457 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -0.666 -12.131 -3.147 1.00 10.00 H new ATOM 146 N GLN A 29 -1.656 -13.084 -5.645 1.00 10.00 N ATOM 147 CA GLN A 29 -2.335 -14.043 -6.514 1.00 10.00 C ATOM 148 C GLN A 29 -2.727 -15.316 -5.763 1.00 10.00 C ATOM 149 O GLN A 29 -3.746 -15.935 -6.068 1.00 10.00 O ATOM 150 CB GLN A 29 -1.437 -14.394 -7.702 1.00 10.00 C ATOM 151 CG GLN A 29 -2.152 -15.137 -8.825 1.00 10.00 C ATOM 152 CD GLN A 29 -2.872 -14.207 -9.787 1.00 10.00 C ATOM 153 OE1 GLN A 29 -2.280 -13.714 -10.750 1.00 10.00 O ATOM 154 NE2 GLN A 29 -4.154 -13.976 -9.552 1.00 10.00 N ATOM 0 H GLN A 29 -0.720 -12.830 -5.960 1.00 10.00 H new ATOM 0 HA GLN A 29 -3.252 -13.575 -6.871 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -1.009 -13.476 -8.104 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -0.607 -15.005 -7.348 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -1.426 -15.733 -9.379 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -2.872 -15.832 -8.393 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -4.609 -14.402 -8.745 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -4.687 -13.372 -10.178 1.00 10.00 H new ATOM 163 N ASP A 30 -1.925 -15.701 -4.777 1.00 10.00 N ATOM 164 CA ASP A 30 -2.204 -16.907 -3.999 1.00 10.00 C ATOM 165 C ASP A 30 -2.924 -16.573 -2.691 1.00 10.00 C ATOM 166 O ASP A 30 -2.796 -17.294 -1.698 1.00 10.00 O ATOM 167 CB ASP A 30 -0.914 -17.692 -3.720 1.00 10.00 C ATOM 168 CG ASP A 30 0.038 -16.982 -2.782 1.00 10.00 C ATOM 169 OD1 ASP A 30 0.546 -15.901 -3.150 1.00 10.00 O ATOM 170 OD2 ASP A 30 0.300 -17.510 -1.678 1.00 10.00 O ATOM 0 H ASP A 30 -1.081 -15.201 -4.497 1.00 10.00 H new ATOM 0 HA ASP A 30 -2.866 -17.535 -4.595 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -1.174 -18.662 -3.295 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -0.404 -17.884 -4.664 1.00 10.00 H new ATOM 175 N SER A 31 -3.692 -15.483 -2.711 1.00 10.00 N ATOM 176 CA SER A 31 -4.461 -15.029 -1.548 1.00 10.00 C ATOM 177 C SER A 31 -3.541 -14.619 -0.398 1.00 10.00 C ATOM 178 O SER A 31 -3.855 -14.823 0.778 1.00 10.00 O ATOM 179 CB SER A 31 -5.439 -16.119 -1.093 1.00 10.00 C ATOM 180 OG SER A 31 -6.132 -16.677 -2.199 1.00 10.00 O ATOM 0 H SER A 31 -3.800 -14.889 -3.533 1.00 10.00 H new ATOM 0 HA SER A 31 -5.032 -14.150 -1.847 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.895 -16.904 -0.567 1.00 10.00 H new ATOM 0 HB3 SER A 31 -6.154 -15.698 -0.386 1.00 10.00 H new ATOM 0 HG SER A 31 -6.748 -17.371 -1.883 1.00 10.00 H new ATOM 186 N SER A 32 -2.405 -14.040 -0.750 1.00 10.00 N ATOM 187 CA SER A 32 -1.435 -13.586 0.227 1.00 10.00 C ATOM 188 C SER A 32 -1.706 -12.132 0.598 1.00 10.00 C ATOM 189 O SER A 32 -2.006 -11.311 -0.268 1.00 10.00 O ATOM 190 CB SER A 32 -0.030 -13.737 -0.352 1.00 10.00 C ATOM 191 OG SER A 32 -0.075 -13.764 -1.772 1.00 10.00 O ATOM 0 H SER A 32 -2.132 -13.873 -1.718 1.00 10.00 H new ATOM 0 HA SER A 32 -1.517 -14.190 1.131 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.598 -12.911 -0.018 1.00 10.00 H new ATOM 0 HB3 SER A 32 0.426 -14.654 0.020 1.00 10.00 H new ATOM 0 HG SER A 32 0.425 -14.540 -2.100 1.00 10.00 H new ATOM 197 N GLU A 33 -1.626 -11.821 1.883 1.00 10.00 N ATOM 198 CA GLU A 33 -1.861 -10.464 2.342 1.00 10.00 C ATOM 199 C GLU A 33 -0.536 -9.752 2.592 1.00 10.00 C ATOM 200 O GLU A 33 0.116 -9.969 3.616 1.00 10.00 O ATOM 201 CB GLU A 33 -2.711 -10.460 3.615 1.00 10.00 C ATOM 202 CG GLU A 33 -3.991 -11.271 3.495 1.00 10.00 C ATOM 203 CD GLU A 33 -4.560 -11.664 4.843 1.00 10.00 C ATOM 204 OE1 GLU A 33 -5.032 -10.767 5.582 1.00 10.00 O ATOM 205 OE2 GLU A 33 -4.551 -12.872 5.167 1.00 10.00 O ATOM 0 H GLU A 33 -1.401 -12.487 2.622 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.406 -9.931 1.563 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.117 -10.854 4.440 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.965 -9.431 3.869 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.734 -10.692 2.946 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -3.794 -12.170 2.912 1.00 10.00 H new ATOM 212 N ILE A 34 -0.133 -8.918 1.649 1.00 10.00 N ATOM 213 CA ILE A 34 1.118 -8.186 1.780 1.00 10.00 C ATOM 214 C ILE A 34 0.876 -6.870 2.507 1.00 10.00 C ATOM 215 O ILE A 34 0.086 -6.039 2.058 1.00 10.00 O ATOM 216 CB ILE A 34 1.785 -7.888 0.412 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.331 -8.881 -0.675 1.00 10.00 C ATOM 218 CG2 ILE A 34 3.303 -7.906 0.555 1.00 10.00 C ATOM 219 CD1 ILE A 34 1.785 -10.308 -0.456 1.00 10.00 C ATOM 0 H ILE A 34 -0.649 -8.731 0.789 1.00 10.00 H new ATOM 0 HA ILE A 34 1.795 -8.823 2.349 1.00 10.00 H new ATOM 0 HB ILE A 34 1.468 -6.894 0.095 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.243 -8.865 -0.731 1.00 10.00 H new ATOM 0 HG13 ILE A 34 1.705 -8.539 -1.640 1.00 10.00 H new ATOM 0 HG21 ILE A 34 3.762 -7.696 -0.411 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.610 -7.148 1.275 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.624 -8.888 0.903 1.00 10.00 H new ATOM 0 HD11 ILE A 34 1.419 -10.935 -1.269 1.00 10.00 H new ATOM 0 HD12 ILE A 34 2.874 -10.344 -0.432 1.00 10.00 H new ATOM 0 HD13 ILE A 34 1.389 -10.675 0.491 1.00 10.00 H new ATOM 231 N HIS A 35 1.546 -6.691 3.633 1.00 10.00 N ATOM 232 CA HIS A 35 1.401 -5.483 4.428 1.00 10.00 C ATOM 233 C HIS A 35 2.570 -4.542 4.156 1.00 10.00 C ATOM 234 O HIS A 35 3.663 -4.710 4.705 1.00 10.00 O ATOM 235 CB HIS A 35 1.340 -5.820 5.926 1.00 10.00 C ATOM 236 CG HIS A 35 0.134 -6.619 6.346 1.00 10.00 C ATOM 237 ND1 HIS A 35 -0.286 -6.641 7.655 1.00 10.00 N ATOM 238 CD2 HIS A 35 -0.679 -7.417 5.613 1.00 10.00 C ATOM 239 CE1 HIS A 35 -1.332 -7.445 7.688 1.00 10.00 C ATOM 240 NE2 HIS A 35 -1.610 -7.942 6.474 1.00 10.00 N ATOM 0 H HIS A 35 2.200 -7.372 4.019 1.00 10.00 H new ATOM 0 HA HIS A 35 0.468 -4.994 4.147 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.238 -6.376 6.196 1.00 10.00 H new ATOM 0 HB3 HIS A 35 1.358 -4.890 6.494 1.00 10.00 H new ATOM 0 HD1 HIS A 35 0.127 -6.138 8.441 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -0.608 -7.605 4.552 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -1.894 -7.674 8.581 1.00 10.00 H new ATOM 248 N PHE A 36 2.344 -3.564 3.296 1.00 10.00 N ATOM 249 CA PHE A 36 3.382 -2.606 2.956 1.00 10.00 C ATOM 250 C PHE A 36 3.179 -1.315 3.735 1.00 10.00 C ATOM 251 O PHE A 36 2.152 -0.651 3.597 1.00 10.00 O ATOM 252 CB PHE A 36 3.378 -2.321 1.454 1.00 10.00 C ATOM 253 CG PHE A 36 4.756 -2.221 0.859 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.766 -1.545 1.524 1.00 10.00 C ATOM 255 CD2 PHE A 36 5.039 -2.808 -0.362 1.00 10.00 C ATOM 256 CE1 PHE A 36 7.034 -1.458 0.983 1.00 10.00 C ATOM 257 CE2 PHE A 36 6.306 -2.722 -0.910 1.00 10.00 C ATOM 258 CZ PHE A 36 7.305 -2.046 -0.236 1.00 10.00 C ATOM 0 H PHE A 36 1.454 -3.412 2.822 1.00 10.00 H new ATOM 0 HA PHE A 36 4.348 -3.033 3.225 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.827 -3.111 0.944 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.843 -1.389 1.270 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.559 -1.080 2.477 1.00 10.00 H new ATOM 0 HD2 PHE A 36 4.262 -3.339 -0.892 1.00 10.00 H new ATOM 0 HE1 PHE A 36 7.813 -0.930 1.513 1.00 10.00 H new ATOM 0 HE2 PHE A 36 6.514 -3.183 -1.864 1.00 10.00 H new ATOM 0 HZ PHE A 36 8.295 -1.978 -0.662 1.00 10.00 H new ATOM 268 N LYS A 37 4.157 -0.967 4.557 1.00 10.00 N ATOM 269 CA LYS A 37 4.079 0.240 5.360 1.00 10.00 C ATOM 270 C LYS A 37 4.715 1.410 4.617 1.00 10.00 C ATOM 271 O LYS A 37 5.941 1.518 4.540 1.00 10.00 O ATOM 272 CB LYS A 37 4.761 0.021 6.714 1.00 10.00 C ATOM 273 CG LYS A 37 3.876 0.384 7.899 1.00 10.00 C ATOM 274 CD LYS A 37 4.653 0.425 9.205 1.00 10.00 C ATOM 275 CE LYS A 37 5.072 -0.965 9.663 1.00 10.00 C ATOM 276 NZ LYS A 37 5.576 -0.959 11.063 1.00 10.00 N ATOM 0 H LYS A 37 5.014 -1.505 4.684 1.00 10.00 H new ATOM 0 HA LYS A 37 3.030 0.477 5.539 1.00 10.00 H new ATOM 0 HB2 LYS A 37 5.059 -1.024 6.798 1.00 10.00 H new ATOM 0 HB3 LYS A 37 5.673 0.617 6.754 1.00 10.00 H new ATOM 0 HG2 LYS A 37 3.415 1.356 7.722 1.00 10.00 H new ATOM 0 HG3 LYS A 37 3.067 -0.342 7.982 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.539 1.048 9.081 1.00 10.00 H new ATOM 0 HD3 LYS A 37 4.041 0.892 9.977 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.223 -1.644 9.586 1.00 10.00 H new ATOM 0 HE3 LYS A 37 5.848 -1.348 8.999 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 5.851 -1.924 11.337 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 6.402 -0.331 11.132 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 4.828 -0.618 11.700 1.00 10.00 H new ATOM 290 N VAL A 38 3.872 2.277 4.068 1.00 10.00 N ATOM 291 CA VAL A 38 4.333 3.436 3.315 1.00 10.00 C ATOM 292 C VAL A 38 4.283 4.705 4.166 1.00 10.00 C ATOM 293 O VAL A 38 3.732 4.708 5.268 1.00 10.00 O ATOM 294 CB VAL A 38 3.489 3.643 2.033 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.360 2.342 1.256 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.114 4.207 2.360 1.00 10.00 C ATOM 0 H VAL A 38 2.857 2.197 4.132 1.00 10.00 H new ATOM 0 HA VAL A 38 5.367 3.241 3.031 1.00 10.00 H new ATOM 0 HB VAL A 38 4.010 4.369 1.409 1.00 10.00 H new ATOM 0 HG11 VAL A 38 2.763 2.511 0.360 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.351 1.989 0.971 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.873 1.592 1.880 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.547 4.340 1.439 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.584 3.516 3.016 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.225 5.169 2.860 1.00 10.00 H new ATOM 306 N LYS A 39 4.844 5.783 3.642 1.00 10.00 N ATOM 307 CA LYS A 39 4.870 7.057 4.347 1.00 10.00 C ATOM 308 C LYS A 39 4.180 8.128 3.512 1.00 10.00 C ATOM 309 O LYS A 39 4.318 8.153 2.288 1.00 10.00 O ATOM 310 CB LYS A 39 6.318 7.456 4.639 1.00 10.00 C ATOM 311 CG LYS A 39 6.467 8.486 5.745 1.00 10.00 C ATOM 312 CD LYS A 39 7.929 8.812 5.982 1.00 10.00 C ATOM 313 CE LYS A 39 8.103 9.991 6.920 1.00 10.00 C ATOM 314 NZ LYS A 39 9.525 10.410 7.018 1.00 10.00 N ATOM 0 H LYS A 39 5.290 5.802 2.725 1.00 10.00 H new ATOM 0 HA LYS A 39 4.336 6.957 5.292 1.00 10.00 H new ATOM 0 HB2 LYS A 39 6.882 6.563 4.910 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.766 7.851 3.727 1.00 10.00 H new ATOM 0 HG2 LYS A 39 5.926 9.394 5.478 1.00 10.00 H new ATOM 0 HG3 LYS A 39 6.020 8.107 6.664 1.00 10.00 H new ATOM 0 HD2 LYS A 39 8.432 7.940 6.399 1.00 10.00 H new ATOM 0 HD3 LYS A 39 8.410 9.032 5.029 1.00 10.00 H new ATOM 0 HE2 LYS A 39 7.500 10.828 6.568 1.00 10.00 H new ATOM 0 HE3 LYS A 39 7.733 9.726 7.910 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 9.580 11.354 7.452 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 10.048 9.728 7.604 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 9.944 10.442 6.067 1.00 10.00 H new ATOM 328 N MET A 40 3.439 9.014 4.168 1.00 10.00 N ATOM 329 CA MET A 40 2.722 10.075 3.468 1.00 10.00 C ATOM 330 C MET A 40 3.654 11.244 3.140 1.00 10.00 C ATOM 331 O MET A 40 3.584 12.309 3.764 1.00 10.00 O ATOM 332 CB MET A 40 1.529 10.555 4.302 1.00 10.00 C ATOM 333 CG MET A 40 0.575 11.461 3.539 1.00 10.00 C ATOM 334 SD MET A 40 -0.201 10.636 2.135 1.00 10.00 S ATOM 335 CE MET A 40 -1.403 9.604 2.972 1.00 10.00 C ATOM 0 H MET A 40 3.319 9.019 5.181 1.00 10.00 H new ATOM 0 HA MET A 40 2.348 9.669 2.528 1.00 10.00 H new ATOM 0 HB2 MET A 40 0.979 9.687 4.666 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.900 11.088 5.178 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.199 11.819 4.217 1.00 10.00 H new ATOM 0 HG3 MET A 40 1.118 12.337 3.185 1.00 10.00 H new ATOM 0 HE1 MET A 40 -1.251 8.563 2.686 1.00 10.00 H new ATOM 0 HE2 MET A 40 -1.282 9.706 4.050 1.00 10.00 H new ATOM 0 HE3 MET A 40 -2.409 9.914 2.689 1.00 10.00 H new ATOM 345 N THR A 41 4.531 11.027 2.161 1.00 10.00 N ATOM 346 CA THR A 41 5.492 12.039 1.723 1.00 10.00 C ATOM 347 C THR A 41 6.423 11.457 0.657 1.00 10.00 C ATOM 348 O THR A 41 6.959 12.181 -0.182 1.00 10.00 O ATOM 349 CB THR A 41 6.321 12.601 2.908 1.00 10.00 C ATOM 350 OG1 THR A 41 7.204 13.641 2.464 1.00 10.00 O ATOM 351 CG2 THR A 41 7.127 11.505 3.586 1.00 10.00 C ATOM 0 H THR A 41 4.596 10.147 1.650 1.00 10.00 H new ATOM 0 HA THR A 41 4.926 12.867 1.296 1.00 10.00 H new ATOM 0 HB THR A 41 5.617 13.014 3.630 1.00 10.00 H new ATOM 0 HG1 THR A 41 7.716 13.983 3.226 1.00 10.00 H new ATOM 0 HG21 THR A 41 7.697 11.930 4.412 1.00 10.00 H new ATOM 0 HG22 THR A 41 6.451 10.740 3.968 1.00 10.00 H new ATOM 0 HG23 THR A 41 7.812 11.058 2.865 1.00 10.00 H new ATOM 359 N THR A 42 6.600 10.142 0.696 1.00 10.00 N ATOM 360 CA THR A 42 7.445 9.447 -0.262 1.00 10.00 C ATOM 361 C THR A 42 6.645 9.092 -1.512 1.00 10.00 C ATOM 362 O THR A 42 5.439 8.839 -1.433 1.00 10.00 O ATOM 363 CB THR A 42 8.006 8.163 0.365 1.00 10.00 C ATOM 364 OG1 THR A 42 8.076 8.330 1.784 1.00 10.00 O ATOM 365 CG2 THR A 42 9.393 7.846 -0.184 1.00 10.00 C ATOM 0 H THR A 42 6.164 9.533 1.388 1.00 10.00 H new ATOM 0 HA THR A 42 8.269 10.105 -0.538 1.00 10.00 H new ATOM 0 HB THR A 42 7.345 7.333 0.116 1.00 10.00 H new ATOM 0 HG1 THR A 42 8.618 9.119 1.994 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.767 6.932 0.277 1.00 10.00 H new ATOM 0 HG22 THR A 42 9.335 7.710 -1.264 1.00 10.00 H new ATOM 0 HG23 THR A 42 10.071 8.669 0.042 1.00 10.00 H new ATOM 373 N HIS A 43 7.305 9.090 -2.662 1.00 10.00 N ATOM 374 CA HIS A 43 6.645 8.763 -3.920 1.00 10.00 C ATOM 375 C HIS A 43 6.412 7.261 -4.018 1.00 10.00 C ATOM 376 O HIS A 43 7.205 6.468 -3.505 1.00 10.00 O ATOM 377 CB HIS A 43 7.483 9.236 -5.114 1.00 10.00 C ATOM 378 CG HIS A 43 7.856 10.687 -5.055 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.171 11.082 -5.053 1.00 10.00 N ATOM 380 CD2 HIS A 43 7.062 11.785 -4.995 1.00 10.00 C ATOM 381 CE1 HIS A 43 9.151 12.403 -4.988 1.00 10.00 C ATOM 382 NE2 HIS A 43 7.897 12.873 -4.953 1.00 10.00 N ATOM 0 H HIS A 43 8.297 9.311 -2.751 1.00 10.00 H new ATOM 0 HA HIS A 43 5.684 9.278 -3.943 1.00 10.00 H new ATOM 0 HB2 HIS A 43 8.393 8.638 -5.167 1.00 10.00 H new ATOM 0 HB3 HIS A 43 6.926 9.051 -6.033 1.00 10.00 H new ATOM 0 HD2 HIS A 43 5.982 11.800 -4.983 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.034 13.024 -4.966 1.00 10.00 H new ATOM 0 HE2 HIS A 43 7.617 13.852 -4.904 1.00 10.00 H new ATOM 390 N LEU A 44 5.337 6.872 -4.698 1.00 10.00 N ATOM 391 CA LEU A 44 5.005 5.461 -4.861 1.00 10.00 C ATOM 392 C LEU A 44 6.035 4.760 -5.741 1.00 10.00 C ATOM 393 O LEU A 44 6.048 3.536 -5.841 1.00 10.00 O ATOM 394 CB LEU A 44 3.598 5.300 -5.438 1.00 10.00 C ATOM 395 CG LEU A 44 2.466 5.475 -4.421 1.00 10.00 C ATOM 396 CD1 LEU A 44 1.123 5.578 -5.124 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.457 4.319 -3.428 1.00 10.00 C ATOM 0 H LEU A 44 4.682 7.514 -5.144 1.00 10.00 H new ATOM 0 HA LEU A 44 5.025 4.991 -3.878 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.463 6.026 -6.240 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.515 4.310 -5.887 1.00 10.00 H new ATOM 0 HG LEU A 44 2.640 6.402 -3.874 1.00 10.00 H new ATOM 0 HD11 LEU A 44 0.333 5.702 -4.383 1.00 10.00 H new ATOM 0 HD12 LEU A 44 1.129 6.437 -5.795 1.00 10.00 H new ATOM 0 HD13 LEU A 44 0.942 4.669 -5.699 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.646 4.460 -2.713 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.310 3.381 -3.963 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.408 4.288 -2.897 1.00 10.00 H new ATOM 409 N LYS A 45 6.895 5.555 -6.369 1.00 10.00 N ATOM 410 CA LYS A 45 7.961 5.039 -7.217 1.00 10.00 C ATOM 411 C LYS A 45 8.850 4.096 -6.411 1.00 10.00 C ATOM 412 O LYS A 45 9.205 3.008 -6.868 1.00 10.00 O ATOM 413 CB LYS A 45 8.791 6.211 -7.763 1.00 10.00 C ATOM 414 CG LYS A 45 10.077 5.803 -8.466 1.00 10.00 C ATOM 415 CD LYS A 45 9.800 5.009 -9.729 1.00 10.00 C ATOM 416 CE LYS A 45 11.048 4.886 -10.586 1.00 10.00 C ATOM 417 NZ LYS A 45 10.864 3.931 -11.709 1.00 10.00 N ATOM 0 H LYS A 45 6.872 6.573 -6.304 1.00 10.00 H new ATOM 0 HA LYS A 45 7.529 4.487 -8.052 1.00 10.00 H new ATOM 0 HB2 LYS A 45 8.176 6.781 -8.460 1.00 10.00 H new ATOM 0 HB3 LYS A 45 9.039 6.879 -6.938 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.653 6.694 -8.716 1.00 10.00 H new ATOM 0 HG3 LYS A 45 10.689 5.207 -7.789 1.00 10.00 H new ATOM 0 HD2 LYS A 45 9.438 4.015 -9.465 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.009 5.495 -10.301 1.00 10.00 H new ATOM 0 HE2 LYS A 45 11.312 5.866 -10.984 1.00 10.00 H new ATOM 0 HE3 LYS A 45 11.882 4.559 -9.966 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.607 4.085 -12.421 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 10.925 2.957 -11.350 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.931 4.082 -12.144 1.00 10.00 H new ATOM 431 N LYS A 46 9.173 4.519 -5.193 1.00 10.00 N ATOM 432 CA LYS A 46 10.017 3.744 -4.294 1.00 10.00 C ATOM 433 C LYS A 46 9.310 2.466 -3.847 1.00 10.00 C ATOM 434 O LYS A 46 9.945 1.434 -3.631 1.00 10.00 O ATOM 435 CB LYS A 46 10.385 4.601 -3.075 1.00 10.00 C ATOM 436 CG LYS A 46 11.136 3.853 -1.987 1.00 10.00 C ATOM 437 CD LYS A 46 12.587 3.606 -2.368 1.00 10.00 C ATOM 438 CE LYS A 46 13.465 4.810 -2.057 1.00 10.00 C ATOM 439 NZ LYS A 46 13.577 5.056 -0.594 1.00 10.00 N ATOM 0 H LYS A 46 8.857 5.407 -4.803 1.00 10.00 H new ATOM 0 HA LYS A 46 10.925 3.457 -4.825 1.00 10.00 H new ATOM 0 HB2 LYS A 46 10.994 5.442 -3.407 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.472 5.017 -2.649 1.00 10.00 H new ATOM 0 HG2 LYS A 46 11.096 4.424 -1.060 1.00 10.00 H new ATOM 0 HG3 LYS A 46 10.643 2.900 -1.795 1.00 10.00 H new ATOM 0 HD2 LYS A 46 12.961 2.735 -1.830 1.00 10.00 H new ATOM 0 HD3 LYS A 46 12.650 3.375 -3.431 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.459 4.651 -2.475 1.00 10.00 H new ATOM 0 HE3 LYS A 46 13.053 5.694 -2.543 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 14.345 5.733 -0.414 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 12.681 5.446 -0.238 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 13.783 4.161 -0.106 1.00 10.00 H new ATOM 453 N LEU A 47 7.994 2.533 -3.731 1.00 10.00 N ATOM 454 CA LEU A 47 7.208 1.387 -3.291 1.00 10.00 C ATOM 455 C LEU A 47 7.097 0.329 -4.387 1.00 10.00 C ATOM 456 O LEU A 47 7.240 -0.866 -4.123 1.00 10.00 O ATOM 457 CB LEU A 47 5.804 1.831 -2.853 1.00 10.00 C ATOM 458 CG LEU A 47 5.714 2.493 -1.469 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.517 1.715 -0.444 1.00 10.00 C ATOM 460 CD2 LEU A 47 6.176 3.942 -1.522 1.00 10.00 C ATOM 0 H LEU A 47 7.445 3.368 -3.935 1.00 10.00 H new ATOM 0 HA LEU A 47 7.726 0.944 -2.440 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.416 2.529 -3.595 1.00 10.00 H new ATOM 0 HB3 LEU A 47 5.149 0.960 -2.862 1.00 10.00 H new ATOM 0 HG LEU A 47 4.668 2.483 -1.164 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.438 2.203 0.527 1.00 10.00 H new ATOM 0 HD12 LEU A 47 6.128 0.699 -0.372 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.563 1.683 -0.749 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.101 4.384 -0.529 1.00 10.00 H new ATOM 0 HD22 LEU A 47 7.212 3.982 -1.860 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.547 4.499 -2.216 1.00 10.00 H new ATOM 472 N LYS A 48 6.861 0.777 -5.613 1.00 10.00 N ATOM 473 CA LYS A 48 6.712 -0.129 -6.749 1.00 10.00 C ATOM 474 C LYS A 48 7.964 -0.979 -6.970 1.00 10.00 C ATOM 475 O LYS A 48 7.871 -2.199 -7.108 1.00 10.00 O ATOM 476 CB LYS A 48 6.386 0.655 -8.025 1.00 10.00 C ATOM 477 CG LYS A 48 5.019 1.322 -8.010 1.00 10.00 C ATOM 478 CD LYS A 48 4.737 2.064 -9.310 1.00 10.00 C ATOM 479 CE LYS A 48 4.507 1.104 -10.470 1.00 10.00 C ATOM 480 NZ LYS A 48 4.199 1.819 -11.739 1.00 10.00 N ATOM 0 H LYS A 48 6.768 1.765 -5.849 1.00 10.00 H new ATOM 0 HA LYS A 48 5.886 -0.801 -6.516 1.00 10.00 H new ATOM 0 HB2 LYS A 48 7.150 1.418 -8.175 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.439 -0.021 -8.878 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.249 0.568 -7.847 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.964 2.019 -7.174 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.860 2.698 -9.184 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.575 2.721 -9.543 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.394 0.486 -10.609 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.685 0.431 -10.225 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 4.349 1.178 -12.544 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 3.208 2.135 -11.728 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.824 2.645 -11.833 1.00 10.00 H new ATOM 494 N GLU A 49 9.129 -0.337 -6.981 1.00 10.00 N ATOM 495 CA GLU A 49 10.388 -1.043 -7.211 1.00 10.00 C ATOM 496 C GLU A 49 10.733 -1.984 -6.055 1.00 10.00 C ATOM 497 O GLU A 49 11.227 -3.089 -6.278 1.00 10.00 O ATOM 498 CB GLU A 49 11.533 -0.048 -7.451 1.00 10.00 C ATOM 499 CG GLU A 49 11.647 1.036 -6.393 1.00 10.00 C ATOM 500 CD GLU A 49 12.718 2.059 -6.716 1.00 10.00 C ATOM 501 OE1 GLU A 49 13.178 2.756 -5.787 1.00 10.00 O ATOM 502 OE2 GLU A 49 13.109 2.167 -7.899 1.00 10.00 O ATOM 0 H GLU A 49 9.228 0.667 -6.834 1.00 10.00 H new ATOM 0 HA GLU A 49 10.258 -1.653 -8.105 1.00 10.00 H new ATOM 0 HB2 GLU A 49 12.473 -0.597 -7.495 1.00 10.00 H new ATOM 0 HB3 GLU A 49 11.393 0.423 -8.424 1.00 10.00 H new ATOM 0 HG2 GLU A 49 10.687 1.541 -6.292 1.00 10.00 H new ATOM 0 HG3 GLU A 49 11.868 0.576 -5.430 1.00 10.00 H new ATOM 509 N SER A 50 10.447 -1.563 -4.830 1.00 10.00 N ATOM 510 CA SER A 50 10.748 -2.381 -3.660 1.00 10.00 C ATOM 511 C SER A 50 9.868 -3.629 -3.609 1.00 10.00 C ATOM 512 O SER A 50 10.300 -4.685 -3.142 1.00 10.00 O ATOM 513 CB SER A 50 10.584 -1.553 -2.389 1.00 10.00 C ATOM 514 OG SER A 50 11.416 -0.406 -2.430 1.00 10.00 O ATOM 0 H SER A 50 10.010 -0.666 -4.620 1.00 10.00 H new ATOM 0 HA SER A 50 11.783 -2.714 -3.735 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.543 -1.250 -2.278 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.834 -2.160 -1.519 1.00 10.00 H new ATOM 0 HG SER A 50 11.092 0.208 -3.122 1.00 10.00 H new ATOM 520 N TYR A 51 8.637 -3.515 -4.100 1.00 10.00 N ATOM 521 CA TYR A 51 7.717 -4.645 -4.108 1.00 10.00 C ATOM 522 C TYR A 51 8.219 -5.727 -5.059 1.00 10.00 C ATOM 523 O TYR A 51 8.127 -6.920 -4.765 1.00 10.00 O ATOM 524 CB TYR A 51 6.311 -4.202 -4.518 1.00 10.00 C ATOM 525 CG TYR A 51 5.259 -5.271 -4.308 1.00 10.00 C ATOM 526 CD1 TYR A 51 4.627 -5.418 -3.082 1.00 10.00 C ATOM 527 CD2 TYR A 51 4.908 -6.139 -5.335 1.00 10.00 C ATOM 528 CE1 TYR A 51 3.672 -6.396 -2.883 1.00 10.00 C ATOM 529 CE2 TYR A 51 3.952 -7.118 -5.144 1.00 10.00 C ATOM 530 CZ TYR A 51 3.340 -7.243 -3.916 1.00 10.00 C ATOM 531 OH TYR A 51 2.391 -8.218 -3.719 1.00 10.00 O ATOM 0 H TYR A 51 8.256 -2.655 -4.495 1.00 10.00 H new ATOM 0 HA TYR A 51 7.670 -5.051 -3.097 1.00 10.00 H new ATOM 0 HB2 TYR A 51 6.036 -3.315 -3.947 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.321 -3.914 -5.569 1.00 10.00 H new ATOM 0 HD1 TYR A 51 4.886 -4.756 -2.269 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.390 -6.047 -6.297 1.00 10.00 H new ATOM 0 HE1 TYR A 51 3.189 -6.496 -1.922 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.686 -7.782 -5.953 1.00 10.00 H new ATOM 0 HH TYR A 51 2.671 -9.043 -4.169 1.00 10.00 H new ATOM 541 N CYS A 52 8.762 -5.298 -6.192 1.00 10.00 N ATOM 542 CA CYS A 52 9.287 -6.223 -7.190 1.00 10.00 C ATOM 543 C CYS A 52 10.442 -7.037 -6.607 1.00 10.00 C ATOM 544 O CYS A 52 10.583 -8.229 -6.886 1.00 10.00 O ATOM 545 CB CYS A 52 9.746 -5.453 -8.432 1.00 10.00 C ATOM 546 SG CYS A 52 8.436 -4.488 -9.221 1.00 10.00 S ATOM 0 H CYS A 52 8.851 -4.313 -6.443 1.00 10.00 H new ATOM 0 HA CYS A 52 8.494 -6.912 -7.481 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.559 -4.783 -8.152 1.00 10.00 H new ATOM 0 HB3 CYS A 52 10.150 -6.160 -9.157 1.00 10.00 H new ATOM 0 HG CYS A 52 8.085 -3.511 -8.438 1.00 10.00 H new ATOM 552 N GLN A 53 11.246 -6.388 -5.768 1.00 10.00 N ATOM 553 CA GLN A 53 12.390 -7.034 -5.132 1.00 10.00 C ATOM 554 C GLN A 53 11.939 -8.141 -4.183 1.00 10.00 C ATOM 555 O GLN A 53 12.587 -9.183 -4.071 1.00 10.00 O ATOM 556 CB GLN A 53 13.228 -6.007 -4.371 1.00 10.00 C ATOM 557 CG GLN A 53 13.948 -5.023 -5.277 1.00 10.00 C ATOM 558 CD GLN A 53 14.933 -4.150 -4.527 1.00 10.00 C ATOM 559 OE1 GLN A 53 14.727 -3.810 -3.362 1.00 10.00 O ATOM 560 NE2 GLN A 53 16.021 -3.788 -5.191 1.00 10.00 N ATOM 0 H GLN A 53 11.124 -5.408 -5.512 1.00 10.00 H new ATOM 0 HA GLN A 53 13.000 -7.481 -5.917 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.581 -5.455 -3.689 1.00 10.00 H new ATOM 0 HB3 GLN A 53 13.963 -6.531 -3.759 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.476 -5.572 -6.056 1.00 10.00 H new ATOM 0 HG3 GLN A 53 13.214 -4.390 -5.775 1.00 10.00 H new ATOM 0 HE21 GLN A 53 16.154 -4.091 -6.156 1.00 10.00 H new ATOM 0 HE22 GLN A 53 16.725 -3.206 -4.737 1.00 10.00 H new ATOM 569 N ARG A 54 10.815 -7.915 -3.514 1.00 10.00 N ATOM 570 CA ARG A 54 10.267 -8.889 -2.573 1.00 10.00 C ATOM 571 C ARG A 54 9.851 -10.165 -3.299 1.00 10.00 C ATOM 572 O ARG A 54 10.007 -11.268 -2.776 1.00 10.00 O ATOM 573 CB ARG A 54 9.061 -8.297 -1.838 1.00 10.00 C ATOM 574 CG ARG A 54 8.681 -9.045 -0.568 1.00 10.00 C ATOM 575 CD ARG A 54 9.655 -8.752 0.562 1.00 10.00 C ATOM 576 NE ARG A 54 9.121 -9.154 1.862 1.00 10.00 N ATOM 577 CZ ARG A 54 9.728 -8.925 3.029 1.00 10.00 C ATOM 578 NH1 ARG A 54 10.878 -8.262 3.070 1.00 10.00 N ATOM 579 NH2 ARG A 54 9.173 -9.351 4.153 1.00 10.00 N ATOM 0 H ARG A 54 10.262 -7.063 -3.605 1.00 10.00 H new ATOM 0 HA ARG A 54 11.043 -9.135 -1.848 1.00 10.00 H new ATOM 0 HB2 ARG A 54 9.276 -7.259 -1.585 1.00 10.00 H new ATOM 0 HB3 ARG A 54 8.205 -8.290 -2.513 1.00 10.00 H new ATOM 0 HG2 ARG A 54 7.673 -8.761 -0.264 1.00 10.00 H new ATOM 0 HG3 ARG A 54 8.664 -10.117 -0.767 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.593 -9.276 0.377 1.00 10.00 H new ATOM 0 HD3 ARG A 54 9.883 -7.686 0.577 1.00 10.00 H new ATOM 0 HE ARG A 54 8.225 -9.642 1.879 1.00 10.00 H new ATOM 0 HH11 ARG A 54 11.303 -7.924 2.206 1.00 10.00 H new ATOM 0 HH12 ARG A 54 11.336 -8.091 3.965 1.00 10.00 H new ATOM 0 HH21 ARG A 54 8.285 -9.852 4.125 1.00 10.00 H new ATOM 0 HH22 ARG A 54 9.633 -9.178 5.047 1.00 10.00 H new ATOM 593 N GLN A 55 9.334 -10.011 -4.513 1.00 10.00 N ATOM 594 CA GLN A 55 8.887 -11.153 -5.302 1.00 10.00 C ATOM 595 C GLN A 55 9.999 -11.671 -6.212 1.00 10.00 C ATOM 596 O GLN A 55 9.848 -12.707 -6.859 1.00 10.00 O ATOM 597 CB GLN A 55 7.662 -10.772 -6.133 1.00 10.00 C ATOM 598 CG GLN A 55 6.490 -10.272 -5.300 1.00 10.00 C ATOM 599 CD GLN A 55 6.064 -11.264 -4.232 1.00 10.00 C ATOM 600 OE1 GLN A 55 6.539 -11.219 -3.098 1.00 10.00 O ATOM 601 NE2 GLN A 55 5.163 -12.163 -4.588 1.00 10.00 N ATOM 0 H GLN A 55 9.214 -9.108 -4.972 1.00 10.00 H new ATOM 0 HA GLN A 55 8.618 -11.953 -4.612 1.00 10.00 H new ATOM 0 HB2 GLN A 55 7.945 -9.999 -6.848 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.342 -11.639 -6.711 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.763 -9.329 -4.826 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.645 -10.066 -5.957 1.00 10.00 H new ATOM 0 HE21 GLN A 55 4.794 -12.166 -5.539 1.00 10.00 H new ATOM 0 HE22 GLN A 55 4.837 -12.853 -3.912 1.00 10.00 H new ATOM 610 N GLY A 56 11.111 -10.946 -6.257 1.00 10.00 N ATOM 611 CA GLY A 56 12.233 -11.351 -7.086 1.00 10.00 C ATOM 612 C GLY A 56 11.938 -11.214 -8.564 1.00 10.00 C ATOM 613 O GLY A 56 12.367 -12.041 -9.371 1.00 10.00 O ATOM 0 H GLY A 56 11.256 -10.083 -5.733 1.00 10.00 H new ATOM 0 HA2 GLY A 56 13.104 -10.746 -6.835 1.00 10.00 H new ATOM 0 HA3 GLY A 56 12.490 -12.387 -6.864 1.00 10.00 H new ATOM 617 N VAL A 57 11.203 -10.173 -8.918 1.00 10.00 N ATOM 618 CA VAL A 57 10.844 -9.922 -10.305 1.00 10.00 C ATOM 619 C VAL A 57 11.254 -8.508 -10.706 1.00 10.00 C ATOM 620 O VAL A 57 11.399 -7.637 -9.850 1.00 10.00 O ATOM 621 CB VAL A 57 9.323 -10.105 -10.540 1.00 10.00 C ATOM 622 CG1 VAL A 57 8.923 -11.566 -10.400 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.521 -9.238 -9.581 1.00 10.00 C ATOM 0 H VAL A 57 10.841 -9.483 -8.259 1.00 10.00 H new ATOM 0 HA VAL A 57 11.376 -10.648 -10.920 1.00 10.00 H new ATOM 0 HB VAL A 57 9.100 -9.787 -11.559 1.00 10.00 H new ATOM 0 HG11 VAL A 57 7.851 -11.668 -10.569 1.00 10.00 H new ATOM 0 HG12 VAL A 57 9.465 -12.163 -11.133 1.00 10.00 H new ATOM 0 HG13 VAL A 57 9.166 -11.915 -9.397 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.456 -9.382 -9.764 1.00 10.00 H new ATOM 0 HG22 VAL A 57 8.754 -9.520 -8.554 1.00 10.00 H new ATOM 0 HG23 VAL A 57 8.777 -8.190 -9.737 1.00 10.00 H new ATOM 633 N PRO A 58 11.477 -8.266 -12.006 1.00 10.00 N ATOM 634 CA PRO A 58 11.862 -6.940 -12.497 1.00 10.00 C ATOM 635 C PRO A 58 10.718 -5.940 -12.368 1.00 10.00 C ATOM 636 O PRO A 58 9.553 -6.326 -12.291 1.00 10.00 O ATOM 637 CB PRO A 58 12.193 -7.184 -13.972 1.00 10.00 C ATOM 638 CG PRO A 58 11.431 -8.410 -14.337 1.00 10.00 C ATOM 639 CD PRO A 58 11.382 -9.255 -13.097 1.00 10.00 C ATOM 0 HA PRO A 58 12.691 -6.515 -11.931 1.00 10.00 H new ATOM 0 HB2 PRO A 58 11.896 -6.336 -14.589 1.00 10.00 H new ATOM 0 HB3 PRO A 58 13.264 -7.326 -14.119 1.00 10.00 H new ATOM 0 HG2 PRO A 58 10.426 -8.158 -14.676 1.00 10.00 H new ATOM 0 HG3 PRO A 58 11.919 -8.943 -15.153 1.00 10.00 H new ATOM 0 HD2 PRO A 58 10.458 -9.830 -13.039 1.00 10.00 H new ATOM 0 HD3 PRO A 58 12.205 -9.969 -13.065 1.00 10.00 H new ATOM 647 N MET A 59 11.048 -4.660 -12.341 1.00 10.00 N ATOM 648 CA MET A 59 10.032 -3.626 -12.223 1.00 10.00 C ATOM 649 C MET A 59 9.208 -3.543 -13.505 1.00 10.00 C ATOM 650 O MET A 59 9.678 -3.944 -14.573 1.00 10.00 O ATOM 651 CB MET A 59 10.671 -2.269 -11.922 1.00 10.00 C ATOM 652 CG MET A 59 9.715 -1.284 -11.269 1.00 10.00 C ATOM 653 SD MET A 59 10.339 0.407 -11.273 1.00 10.00 S ATOM 654 CE MET A 59 9.071 1.226 -10.312 1.00 10.00 C ATOM 0 H MET A 59 12.005 -4.312 -12.399 1.00 10.00 H new ATOM 0 HA MET A 59 9.373 -3.889 -11.395 1.00 10.00 H new ATOM 0 HB2 MET A 59 11.531 -2.417 -11.269 1.00 10.00 H new ATOM 0 HB3 MET A 59 11.047 -1.839 -12.850 1.00 10.00 H new ATOM 0 HG2 MET A 59 8.758 -1.314 -11.790 1.00 10.00 H new ATOM 0 HG3 MET A 59 9.528 -1.594 -10.241 1.00 10.00 H new ATOM 0 HE1 MET A 59 9.053 2.287 -10.563 1.00 10.00 H new ATOM 0 HE2 MET A 59 8.101 0.783 -10.537 1.00 10.00 H new ATOM 0 HE3 MET A 59 9.286 1.108 -9.250 1.00 10.00 H new ATOM 664 N ASN A 60 7.973 -3.054 -13.371 1.00 10.00 N ATOM 665 CA ASN A 60 7.034 -2.892 -14.493 1.00 10.00 C ATOM 666 C ASN A 60 6.406 -4.225 -14.897 1.00 10.00 C ATOM 667 O ASN A 60 5.538 -4.273 -15.766 1.00 10.00 O ATOM 668 CB ASN A 60 7.707 -2.227 -15.702 1.00 10.00 C ATOM 669 CG ASN A 60 6.718 -1.480 -16.578 1.00 10.00 C ATOM 670 OD1 ASN A 60 6.227 -0.414 -16.204 1.00 10.00 O ATOM 671 ND2 ASN A 60 6.429 -2.025 -17.750 1.00 10.00 N ATOM 0 H ASN A 60 7.589 -2.756 -12.474 1.00 10.00 H new ATOM 0 HA ASN A 60 6.237 -2.234 -14.146 1.00 10.00 H new ATOM 0 HB2 ASN A 60 8.473 -1.535 -15.352 1.00 10.00 H new ATOM 0 HB3 ASN A 60 8.212 -2.988 -16.297 1.00 10.00 H new ATOM 0 HD21 ASN A 60 5.777 -1.560 -18.382 1.00 10.00 H new ATOM 0 HD22 ASN A 60 6.858 -2.910 -18.021 1.00 10.00 H new ATOM 678 N SER A 61 6.835 -5.307 -14.257 1.00 10.00 N ATOM 679 CA SER A 61 6.288 -6.624 -14.553 1.00 10.00 C ATOM 680 C SER A 61 5.001 -6.834 -13.767 1.00 10.00 C ATOM 681 O SER A 61 4.182 -7.688 -14.102 1.00 10.00 O ATOM 682 CB SER A 61 7.300 -7.724 -14.210 1.00 10.00 C ATOM 683 OG SER A 61 7.515 -7.807 -12.810 1.00 10.00 O ATOM 0 H SER A 61 7.555 -5.298 -13.535 1.00 10.00 H new ATOM 0 HA SER A 61 6.073 -6.679 -15.620 1.00 10.00 H new ATOM 0 HB2 SER A 61 6.939 -8.683 -14.582 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.245 -7.522 -14.714 1.00 10.00 H new ATOM 0 HG SER A 61 8.053 -7.042 -12.516 1.00 10.00 H new ATOM 689 N LEU A 62 4.831 -6.033 -12.723 1.00 10.00 N ATOM 690 CA LEU A 62 3.658 -6.111 -11.874 1.00 10.00 C ATOM 691 C LEU A 62 2.868 -4.811 -11.945 1.00 10.00 C ATOM 692 O LEU A 62 3.416 -3.728 -11.729 1.00 10.00 O ATOM 693 CB LEU A 62 4.064 -6.384 -10.423 1.00 10.00 C ATOM 694 CG LEU A 62 4.861 -7.669 -10.185 1.00 10.00 C ATOM 695 CD1 LEU A 62 5.302 -7.752 -8.732 1.00 10.00 C ATOM 696 CD2 LEU A 62 4.036 -8.891 -10.562 1.00 10.00 C ATOM 0 H LEU A 62 5.501 -5.316 -12.445 1.00 10.00 H new ATOM 0 HA LEU A 62 3.034 -6.931 -12.229 1.00 10.00 H new ATOM 0 HB2 LEU A 62 4.655 -5.541 -10.066 1.00 10.00 H new ATOM 0 HB3 LEU A 62 3.161 -6.421 -9.814 1.00 10.00 H new ATOM 0 HG LEU A 62 5.748 -7.648 -10.819 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.868 -8.670 -8.575 1.00 10.00 H new ATOM 0 HD12 LEU A 62 5.930 -6.894 -8.493 1.00 10.00 H new ATOM 0 HD13 LEU A 62 4.425 -7.752 -8.085 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.621 -9.794 -10.385 1.00 10.00 H new ATOM 0 HD22 LEU A 62 3.131 -8.920 -9.955 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.764 -8.835 -11.616 1.00 10.00 H new ATOM 708 N ARG A 63 1.589 -4.919 -12.257 1.00 10.00 N ATOM 709 CA ARG A 63 0.731 -3.752 -12.338 1.00 10.00 C ATOM 710 C ARG A 63 -0.088 -3.623 -11.062 1.00 10.00 C ATOM 711 O ARG A 63 -0.810 -4.545 -10.672 1.00 10.00 O ATOM 712 CB ARG A 63 -0.188 -3.811 -13.568 1.00 10.00 C ATOM 713 CG ARG A 63 -1.154 -4.987 -13.573 1.00 10.00 C ATOM 714 CD ARG A 63 -2.212 -4.839 -14.655 1.00 10.00 C ATOM 715 NE ARG A 63 -3.143 -5.965 -14.663 1.00 10.00 N ATOM 716 CZ ARG A 63 -2.886 -7.141 -15.236 1.00 10.00 C ATOM 717 NH1 ARG A 63 -1.776 -7.314 -15.948 1.00 10.00 N ATOM 718 NH2 ARG A 63 -3.760 -8.134 -15.131 1.00 10.00 N ATOM 0 H ARG A 63 1.122 -5.803 -12.458 1.00 10.00 H new ATOM 0 HA ARG A 63 1.364 -2.871 -12.447 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -0.761 -2.885 -13.624 1.00 10.00 H new ATOM 0 HB3 ARG A 63 0.429 -3.859 -14.466 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -0.600 -5.913 -13.729 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.637 -5.065 -12.599 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -2.764 -3.912 -14.499 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -1.728 -4.761 -15.628 1.00 10.00 H new ATOM 0 HE ARG A 63 -4.045 -5.844 -14.202 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -1.116 -6.544 -16.058 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -1.585 -8.216 -16.384 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -4.628 -7.997 -14.612 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -3.564 -9.034 -15.569 1.00 10.00 H new ATOM 732 N PHE A 64 0.059 -2.492 -10.396 1.00 10.00 N ATOM 733 CA PHE A 64 -0.669 -2.230 -9.169 1.00 10.00 C ATOM 734 C PHE A 64 -1.987 -1.555 -9.504 1.00 10.00 C ATOM 735 O PHE A 64 -2.010 -0.416 -9.975 1.00 10.00 O ATOM 736 CB PHE A 64 0.163 -1.354 -8.229 1.00 10.00 C ATOM 737 CG PHE A 64 1.495 -1.955 -7.875 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.600 -1.747 -8.686 1.00 10.00 C ATOM 739 CD2 PHE A 64 1.639 -2.729 -6.736 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.824 -2.302 -8.368 1.00 10.00 C ATOM 741 CE2 PHE A 64 2.862 -3.285 -6.412 1.00 10.00 C ATOM 742 CZ PHE A 64 3.955 -3.070 -7.230 1.00 10.00 C ATOM 0 H PHE A 64 0.680 -1.737 -10.687 1.00 10.00 H new ATOM 0 HA PHE A 64 -0.869 -3.172 -8.659 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.324 -0.383 -8.697 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.402 -1.177 -7.314 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.503 -1.144 -9.577 1.00 10.00 H new ATOM 0 HD2 PHE A 64 0.787 -2.900 -6.094 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.677 -2.135 -9.009 1.00 10.00 H new ATOM 0 HE2 PHE A 64 2.963 -3.887 -5.521 1.00 10.00 H new ATOM 0 HZ PHE A 64 4.912 -3.503 -6.978 1.00 10.00 H new ATOM 752 N LEU A 65 -3.076 -2.266 -9.279 1.00 10.00 N ATOM 753 CA LEU A 65 -4.398 -1.750 -9.579 1.00 10.00 C ATOM 754 C LEU A 65 -5.079 -1.221 -8.328 1.00 10.00 C ATOM 755 O LEU A 65 -5.408 -1.981 -7.412 1.00 10.00 O ATOM 756 CB LEU A 65 -5.258 -2.836 -10.226 1.00 10.00 C ATOM 757 CG LEU A 65 -4.904 -3.159 -11.677 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.705 -4.353 -12.171 1.00 10.00 C ATOM 759 CD2 LEU A 65 -5.150 -1.949 -12.564 1.00 10.00 C ATOM 0 H LEU A 65 -3.070 -3.208 -8.887 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.284 -0.922 -10.279 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.171 -3.748 -9.635 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.302 -2.526 -10.183 1.00 10.00 H new ATOM 0 HG LEU A 65 -3.845 -3.414 -11.724 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -5.438 -4.567 -13.206 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -5.482 -5.222 -11.552 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.770 -4.127 -12.110 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -4.893 -2.195 -13.594 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.201 -1.666 -12.510 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -4.532 -1.118 -12.225 1.00 10.00 H new ATOM 771 N PHE A 66 -5.287 0.084 -8.295 1.00 10.00 N ATOM 772 CA PHE A 66 -5.938 0.730 -7.175 1.00 10.00 C ATOM 773 C PHE A 66 -7.275 1.297 -7.627 1.00 10.00 C ATOM 774 O PHE A 66 -7.324 2.336 -8.290 1.00 10.00 O ATOM 775 CB PHE A 66 -5.053 1.841 -6.607 1.00 10.00 C ATOM 776 CG PHE A 66 -5.598 2.469 -5.356 1.00 10.00 C ATOM 777 CD1 PHE A 66 -5.584 1.776 -4.156 1.00 10.00 C ATOM 778 CD2 PHE A 66 -6.120 3.754 -5.377 1.00 10.00 C ATOM 779 CE1 PHE A 66 -6.080 2.350 -3.002 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.619 4.333 -4.226 1.00 10.00 C ATOM 781 CZ PHE A 66 -6.597 3.630 -3.037 1.00 10.00 C ATOM 0 H PHE A 66 -5.010 0.721 -9.042 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.106 -0.005 -6.388 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.064 1.434 -6.397 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -4.925 2.614 -7.365 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -5.180 0.775 -4.123 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -6.137 4.308 -6.304 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -6.064 1.799 -2.074 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -7.025 5.333 -4.256 1.00 10.00 H new ATOM 0 HZ PHE A 66 -6.984 4.081 -2.135 1.00 10.00 H new ATOM 791 N GLU A 67 -8.346 0.584 -7.297 1.00 10.00 N ATOM 792 CA GLU A 67 -9.700 0.995 -7.655 1.00 10.00 C ATOM 793 C GLU A 67 -9.861 1.090 -9.170 1.00 10.00 C ATOM 794 O GLU A 67 -10.523 1.991 -9.686 1.00 10.00 O ATOM 795 CB GLU A 67 -10.047 2.328 -6.982 1.00 10.00 C ATOM 796 CG GLU A 67 -9.938 2.277 -5.465 1.00 10.00 C ATOM 797 CD GLU A 67 -10.893 1.277 -4.845 1.00 10.00 C ATOM 798 OE1 GLU A 67 -10.596 0.060 -4.880 1.00 10.00 O ATOM 799 OE2 GLU A 67 -11.948 1.702 -4.328 1.00 10.00 O ATOM 0 H GLU A 67 -8.302 -0.292 -6.776 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.395 0.236 -7.295 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -9.383 3.104 -7.362 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -11.062 2.614 -7.258 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -8.916 2.019 -5.186 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -10.139 3.267 -5.057 1.00 10.00 H new ATOM 806 N GLY A 68 -9.239 0.155 -9.878 1.00 10.00 N ATOM 807 CA GLY A 68 -9.326 0.130 -11.326 1.00 10.00 C ATOM 808 C GLY A 68 -8.189 0.872 -12.002 1.00 10.00 C ATOM 809 O GLY A 68 -7.729 0.470 -13.068 1.00 10.00 O ATOM 0 H GLY A 68 -8.673 -0.590 -9.472 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.330 -0.906 -11.666 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.274 0.570 -11.635 1.00 10.00 H new ATOM 813 N GLN A 69 -7.722 1.945 -11.376 1.00 10.00 N ATOM 814 CA GLN A 69 -6.643 2.749 -11.938 1.00 10.00 C ATOM 815 C GLN A 69 -5.284 2.146 -11.598 1.00 10.00 C ATOM 816 O GLN A 69 -5.044 1.736 -10.461 1.00 10.00 O ATOM 817 CB GLN A 69 -6.727 4.185 -11.415 1.00 10.00 C ATOM 818 CG GLN A 69 -8.096 4.825 -11.607 1.00 10.00 C ATOM 819 CD GLN A 69 -8.128 6.283 -11.197 1.00 10.00 C ATOM 820 OE1 GLN A 69 -7.128 6.995 -11.295 1.00 10.00 O ATOM 821 NE2 GLN A 69 -9.286 6.745 -10.748 1.00 10.00 N ATOM 0 H GLN A 69 -8.073 2.279 -10.479 1.00 10.00 H new ATOM 0 HA GLN A 69 -6.753 2.759 -13.022 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.478 4.191 -10.354 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -5.977 4.792 -11.922 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -8.387 4.741 -12.654 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -8.834 4.273 -11.025 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -10.092 6.123 -10.682 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -9.371 7.722 -10.469 1.00 10.00 H new ATOM 830 N ARG A 70 -4.401 2.077 -12.587 1.00 10.00 N ATOM 831 CA ARG A 70 -3.071 1.521 -12.372 1.00 10.00 C ATOM 832 C ARG A 70 -2.138 2.581 -11.795 1.00 10.00 C ATOM 833 O ARG A 70 -2.077 3.708 -12.288 1.00 10.00 O ATOM 834 CB ARG A 70 -2.494 0.933 -13.671 1.00 10.00 C ATOM 835 CG ARG A 70 -2.337 1.939 -14.804 1.00 10.00 C ATOM 836 CD ARG A 70 -2.227 1.246 -16.156 1.00 10.00 C ATOM 837 NE ARG A 70 -0.901 0.664 -16.390 1.00 10.00 N ATOM 838 CZ ARG A 70 -0.696 -0.579 -16.838 1.00 10.00 C ATOM 839 NH1 ARG A 70 -1.717 -1.406 -17.022 1.00 10.00 N ATOM 840 NH2 ARG A 70 0.533 -0.998 -17.090 1.00 10.00 N ATOM 0 H ARG A 70 -4.580 2.397 -13.539 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.158 0.707 -11.652 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.520 0.493 -13.455 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -3.142 0.124 -14.008 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -3.190 2.617 -14.810 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.448 2.546 -14.632 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.980 0.460 -16.219 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.448 1.964 -16.946 1.00 10.00 H new ATOM 0 HE ARG A 70 -0.084 1.244 -16.199 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -2.668 -1.095 -16.821 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -1.551 -2.353 -17.364 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.325 -0.373 -16.943 1.00 10.00 H new ATOM 0 HH22 ARG A 70 0.688 -1.946 -17.432 1.00 10.00 H new ATOM 854 N ILE A 71 -1.426 2.211 -10.741 1.00 10.00 N ATOM 855 CA ILE A 71 -0.501 3.118 -10.074 1.00 10.00 C ATOM 856 C ILE A 71 0.702 3.443 -10.957 1.00 10.00 C ATOM 857 O ILE A 71 1.456 2.550 -11.366 1.00 10.00 O ATOM 858 CB ILE A 71 -0.010 2.518 -8.737 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.195 2.267 -7.799 1.00 10.00 C ATOM 860 CG2 ILE A 71 1.011 3.431 -8.073 1.00 10.00 C ATOM 861 CD1 ILE A 71 -1.987 3.515 -7.466 1.00 10.00 C ATOM 0 H ILE A 71 -1.472 1.281 -10.326 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.046 4.041 -9.876 1.00 10.00 H new ATOM 0 HB ILE A 71 0.476 1.566 -8.949 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.861 1.537 -8.258 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.826 1.824 -6.874 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.341 2.986 -7.134 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.868 3.560 -8.734 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.556 4.402 -7.875 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -2.809 3.257 -6.798 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.336 4.240 -6.977 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.387 3.948 -8.383 1.00 10.00 H new ATOM 873 N ALA A 72 0.878 4.727 -11.245 1.00 10.00 N ATOM 874 CA ALA A 72 1.985 5.188 -12.065 1.00 10.00 C ATOM 875 C ALA A 72 3.254 5.299 -11.226 1.00 10.00 C ATOM 876 O ALA A 72 3.231 5.065 -10.018 1.00 10.00 O ATOM 877 CB ALA A 72 1.650 6.525 -12.711 1.00 10.00 C ATOM 0 H ALA A 72 0.261 5.471 -10.918 1.00 10.00 H new ATOM 0 HA ALA A 72 2.157 4.460 -12.858 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.491 6.855 -13.321 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.766 6.414 -13.340 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.453 7.265 -11.935 1.00 10.00 H new ATOM 883 N ASP A 73 4.352 5.664 -11.862 1.00 10.00 N ATOM 884 CA ASP A 73 5.629 5.784 -11.166 1.00 10.00 C ATOM 885 C ASP A 73 5.768 7.140 -10.483 1.00 10.00 C ATOM 886 O ASP A 73 6.637 7.330 -9.639 1.00 10.00 O ATOM 887 CB ASP A 73 6.789 5.568 -12.141 1.00 10.00 C ATOM 888 CG ASP A 73 7.104 4.098 -12.352 1.00 10.00 C ATOM 889 OD1 ASP A 73 6.173 3.322 -12.664 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.281 3.713 -12.221 1.00 10.00 O ATOM 0 H ASP A 73 4.390 5.883 -12.857 1.00 10.00 H new ATOM 0 HA ASP A 73 5.659 5.014 -10.396 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.544 6.025 -13.100 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.676 6.076 -11.763 1.00 10.00 H new ATOM 895 N ASN A 74 4.903 8.077 -10.840 1.00 10.00 N ATOM 896 CA ASN A 74 4.953 9.414 -10.256 1.00 10.00 C ATOM 897 C ASN A 74 3.779 9.653 -9.312 1.00 10.00 C ATOM 898 O ASN A 74 3.561 10.775 -8.859 1.00 10.00 O ATOM 899 CB ASN A 74 4.964 10.485 -11.355 1.00 10.00 C ATOM 900 CG ASN A 74 3.638 10.593 -12.095 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.956 9.593 -12.324 1.00 10.00 O ATOM 902 ND2 ASN A 74 3.267 11.806 -12.479 1.00 10.00 N ATOM 0 H ASN A 74 4.161 7.941 -11.527 1.00 10.00 H new ATOM 0 HA ASN A 74 5.876 9.485 -9.680 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.205 11.451 -10.911 1.00 10.00 H new ATOM 0 HB3 ASN A 74 5.755 10.256 -12.069 1.00 10.00 H new ATOM 0 HD21 ASN A 74 2.390 11.935 -12.983 1.00 10.00 H new ATOM 0 HD22 ASN A 74 3.859 12.610 -12.271 1.00 10.00 H new ATOM 909 N HIS A 75 3.035 8.599 -9.006 1.00 10.00 N ATOM 910 CA HIS A 75 1.878 8.715 -8.123 1.00 10.00 C ATOM 911 C HIS A 75 2.304 8.780 -6.657 1.00 10.00 C ATOM 912 O HIS A 75 3.400 8.342 -6.294 1.00 10.00 O ATOM 913 CB HIS A 75 0.919 7.540 -8.335 1.00 10.00 C ATOM 914 CG HIS A 75 -0.170 7.810 -9.330 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.667 6.815 -10.135 1.00 10.00 N ATOM 916 CD2 HIS A 75 -0.833 8.961 -9.594 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.613 7.377 -10.865 1.00 10.00 C ATOM 918 NE2 HIS A 75 -1.752 8.679 -10.573 1.00 10.00 N ATOM 0 H HIS A 75 3.209 7.656 -9.354 1.00 10.00 H new ATOM 0 HA HIS A 75 1.364 9.643 -8.373 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.491 6.673 -8.665 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.466 7.278 -7.379 1.00 10.00 H new ATOM 0 HD2 HIS A 75 -0.669 9.919 -9.123 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.201 6.854 -11.605 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -2.412 9.332 -10.996 1.00 10.00 H new ATOM 926 N THR A 76 1.435 9.338 -5.824 1.00 10.00 N ATOM 927 CA THR A 76 1.697 9.461 -4.399 1.00 10.00 C ATOM 928 C THR A 76 0.454 9.089 -3.588 1.00 10.00 C ATOM 929 O THR A 76 -0.665 9.211 -4.083 1.00 10.00 O ATOM 930 CB THR A 76 2.135 10.894 -4.032 1.00 10.00 C ATOM 931 OG1 THR A 76 1.529 11.849 -4.915 1.00 10.00 O ATOM 932 CG2 THR A 76 3.648 11.032 -4.094 1.00 10.00 C ATOM 0 H THR A 76 0.534 9.716 -6.117 1.00 10.00 H new ATOM 0 HA THR A 76 2.507 8.774 -4.156 1.00 10.00 H new ATOM 0 HB THR A 76 1.805 11.091 -3.012 1.00 10.00 H new ATOM 0 HG1 THR A 76 0.901 11.391 -5.511 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.931 12.051 -3.831 1.00 10.00 H new ATOM 0 HG22 THR A 76 4.106 10.335 -3.392 1.00 10.00 H new ATOM 0 HG23 THR A 76 3.993 10.808 -5.104 1.00 10.00 H new ATOM 940 N PRO A 77 0.627 8.632 -2.331 1.00 10.00 N ATOM 941 CA PRO A 77 -0.498 8.251 -1.460 1.00 10.00 C ATOM 942 C PRO A 77 -1.376 9.443 -1.072 1.00 10.00 C ATOM 943 O PRO A 77 -2.465 9.274 -0.517 1.00 10.00 O ATOM 944 CB PRO A 77 0.187 7.667 -0.213 1.00 10.00 C ATOM 945 CG PRO A 77 1.596 7.401 -0.618 1.00 10.00 C ATOM 946 CD PRO A 77 1.923 8.424 -1.664 1.00 10.00 C ATOM 0 HA PRO A 77 -1.171 7.555 -1.961 1.00 10.00 H new ATOM 0 HB2 PRO A 77 0.144 8.367 0.622 1.00 10.00 H new ATOM 0 HB3 PRO A 77 -0.307 6.752 0.113 1.00 10.00 H new ATOM 0 HG2 PRO A 77 2.270 7.485 0.235 1.00 10.00 H new ATOM 0 HG3 PRO A 77 1.705 6.391 -1.012 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.304 9.345 -1.224 1.00 10.00 H new ATOM 0 HD3 PRO A 77 2.682 8.065 -2.358 1.00 10.00 H new ATOM 954 N LYS A 78 -0.893 10.645 -1.367 1.00 10.00 N ATOM 955 CA LYS A 78 -1.623 11.866 -1.058 1.00 10.00 C ATOM 956 C LYS A 78 -2.787 12.049 -2.031 1.00 10.00 C ATOM 957 O LYS A 78 -3.781 12.707 -1.719 1.00 10.00 O ATOM 958 CB LYS A 78 -0.677 13.074 -1.116 1.00 10.00 C ATOM 959 CG LYS A 78 -1.340 14.404 -0.773 1.00 10.00 C ATOM 960 CD LYS A 78 -1.749 14.478 0.693 1.00 10.00 C ATOM 961 CE LYS A 78 -0.554 14.735 1.599 1.00 10.00 C ATOM 962 NZ LYS A 78 -0.970 15.072 2.985 1.00 10.00 N ATOM 0 H LYS A 78 0.007 10.799 -1.823 1.00 10.00 H new ATOM 0 HA LYS A 78 -2.028 11.789 -0.049 1.00 10.00 H new ATOM 0 HB2 LYS A 78 0.152 12.906 -0.428 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.252 13.140 -2.117 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.654 15.220 -0.999 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.219 14.543 -1.402 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -2.484 15.272 0.826 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -2.232 13.545 0.984 1.00 10.00 H new ATOM 0 HE2 LYS A 78 0.084 13.852 1.617 1.00 10.00 H new ATOM 0 HE3 LYS A 78 0.042 15.551 1.191 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -0.126 15.240 3.570 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -1.558 15.930 2.972 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -1.517 14.283 3.385 1.00 10.00 H new ATOM 976 N GLU A 79 -2.665 11.449 -3.206 1.00 10.00 N ATOM 977 CA GLU A 79 -3.705 11.538 -4.215 1.00 10.00 C ATOM 978 C GLU A 79 -4.435 10.204 -4.320 1.00 10.00 C ATOM 979 O GLU A 79 -4.113 9.267 -3.581 1.00 10.00 O ATOM 980 CB GLU A 79 -3.109 11.947 -5.565 1.00 10.00 C ATOM 981 CG GLU A 79 -2.204 10.899 -6.181 1.00 10.00 C ATOM 982 CD GLU A 79 -1.258 11.481 -7.205 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.728 12.196 -8.113 1.00 10.00 O ATOM 984 OE2 GLU A 79 -0.040 11.226 -7.106 1.00 10.00 O ATOM 0 H GLU A 79 -1.854 10.895 -3.482 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.423 12.305 -3.922 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.921 12.164 -6.259 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.544 12.870 -5.437 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.628 10.413 -5.394 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.814 10.128 -6.652 1.00 10.00 H new ATOM 991 N LEU A 80 -5.410 10.131 -5.228 1.00 10.00 N ATOM 992 CA LEU A 80 -6.210 8.921 -5.445 1.00 10.00 C ATOM 993 C LEU A 80 -7.164 8.674 -4.275 1.00 10.00 C ATOM 994 O LEU A 80 -8.384 8.708 -4.439 1.00 10.00 O ATOM 995 CB LEU A 80 -5.315 7.695 -5.670 1.00 10.00 C ATOM 996 CG LEU A 80 -4.545 7.682 -6.989 1.00 10.00 C ATOM 997 CD1 LEU A 80 -3.185 7.032 -6.801 1.00 10.00 C ATOM 998 CD2 LEU A 80 -5.341 6.951 -8.060 1.00 10.00 C ATOM 0 H LEU A 80 -5.669 10.909 -5.835 1.00 10.00 H new ATOM 0 HA LEU A 80 -6.803 9.080 -6.345 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.600 7.633 -4.850 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -5.935 6.800 -5.621 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.394 8.712 -7.313 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -2.648 7.030 -7.750 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -2.613 7.592 -6.062 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -3.316 6.006 -6.457 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -4.779 6.950 -8.994 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -5.519 5.923 -7.743 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -6.296 7.455 -8.211 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.601 8.450 -3.099 1.00 10.00 N ATOM 1011 CA GLY A 81 -7.403 8.199 -1.921 1.00 10.00 C ATOM 1012 C GLY A 81 -6.931 6.971 -1.176 1.00 10.00 C ATOM 1013 O GLY A 81 -7.680 6.011 -1.011 1.00 10.00 O ATOM 0 H GLY A 81 -5.594 8.438 -2.938 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -7.360 9.065 -1.260 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.446 8.071 -2.211 1.00 10.00 H new ATOM 1017 N MET A 82 -5.682 6.997 -0.735 1.00 10.00 N ATOM 1018 CA MET A 82 -5.099 5.874 -0.009 1.00 10.00 C ATOM 1019 C MET A 82 -5.167 6.107 1.493 1.00 10.00 C ATOM 1020 O MET A 82 -4.711 7.140 1.993 1.00 10.00 O ATOM 1021 CB MET A 82 -3.646 5.667 -0.436 1.00 10.00 C ATOM 1022 CG MET A 82 -3.497 5.023 -1.803 1.00 10.00 C ATOM 1023 SD MET A 82 -1.774 4.842 -2.299 1.00 10.00 S ATOM 1024 CE MET A 82 -1.962 3.839 -3.769 1.00 10.00 C ATOM 0 H MET A 82 -5.049 7.786 -0.867 1.00 10.00 H new ATOM 0 HA MET A 82 -5.674 4.979 -0.248 1.00 10.00 H new ATOM 0 HB2 MET A 82 -3.137 6.631 -0.441 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.144 5.045 0.305 1.00 10.00 H new ATOM 0 HG2 MET A 82 -3.973 4.043 -1.793 1.00 10.00 H new ATOM 0 HG3 MET A 82 -4.023 5.625 -2.544 1.00 10.00 H new ATOM 0 HE1 MET A 82 -0.981 3.637 -4.199 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.445 2.897 -3.508 1.00 10.00 H new ATOM 0 HE3 MET A 82 -2.575 4.371 -4.497 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.743 5.154 2.206 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.868 5.253 3.650 1.00 10.00 C ATOM 1036 C GLU A 83 -5.316 4.005 4.330 1.00 10.00 C ATOM 1037 O GLU A 83 -4.758 3.123 3.676 1.00 10.00 O ATOM 1038 CB GLU A 83 -7.331 5.468 4.041 1.00 10.00 C ATOM 1039 CG GLU A 83 -7.617 6.872 4.545 1.00 10.00 C ATOM 1040 CD GLU A 83 -6.852 7.200 5.810 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -6.747 6.317 6.689 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -6.354 8.340 5.930 1.00 10.00 O ATOM 0 H GLU A 83 -6.133 4.300 1.807 1.00 10.00 H new ATOM 0 HA GLU A 83 -5.284 6.110 3.986 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -7.965 5.263 3.178 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.603 4.749 4.814 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -7.357 7.593 3.770 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -8.686 6.977 4.733 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.465 3.945 5.646 1.00 10.00 N ATOM 1050 CA GLU A 84 -4.985 2.809 6.421 1.00 10.00 C ATOM 1051 C GLU A 84 -5.853 1.578 6.158 1.00 10.00 C ATOM 1052 O GLU A 84 -7.081 1.684 6.084 1.00 10.00 O ATOM 1053 CB GLU A 84 -4.981 3.158 7.912 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.472 2.042 8.813 1.00 10.00 C ATOM 1055 CD GLU A 84 -3.159 1.454 8.338 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.165 2.203 8.234 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -3.115 0.236 8.073 1.00 10.00 O ATOM 0 H GLU A 84 -5.916 4.672 6.201 1.00 10.00 H new ATOM 0 HA GLU A 84 -3.965 2.578 6.114 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -4.363 4.043 8.065 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -5.995 3.420 8.215 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.347 2.427 9.825 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -5.221 1.252 8.863 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.201 0.419 6.016 1.00 10.00 N ATOM 1065 CA GLU A 85 -5.888 -0.846 5.752 1.00 10.00 C ATOM 1066 C GLU A 85 -6.581 -0.811 4.391 1.00 10.00 C ATOM 1067 O GLU A 85 -7.651 -1.394 4.206 1.00 10.00 O ATOM 1068 CB GLU A 85 -6.898 -1.160 6.862 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.270 -1.747 8.117 1.00 10.00 C ATOM 1070 CD GLU A 85 -6.032 -3.240 8.010 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -4.975 -3.713 8.476 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -6.905 -3.949 7.471 1.00 10.00 O ATOM 0 H GLU A 85 -4.187 0.333 6.081 1.00 10.00 H new ATOM 0 HA GLU A 85 -5.141 -1.639 5.736 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.429 -0.245 7.127 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.640 -1.859 6.477 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -5.322 -1.245 8.312 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -6.918 -1.547 8.970 1.00 10.00 H new ATOM 1079 N ASP A 86 -5.959 -0.120 3.445 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.503 -0.008 2.098 1.00 10.00 C ATOM 1081 C ASP A 86 -6.198 -1.269 1.300 1.00 10.00 C ATOM 1082 O ASP A 86 -5.157 -1.899 1.500 1.00 10.00 O ATOM 1083 CB ASP A 86 -5.925 1.213 1.387 1.00 10.00 C ATOM 1084 CG ASP A 86 -6.969 1.957 0.582 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -7.559 1.353 -0.336 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -7.213 3.146 0.873 1.00 10.00 O ATOM 0 H ASP A 86 -5.077 0.372 3.586 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.584 0.111 2.172 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.489 1.887 2.124 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.117 0.898 0.727 1.00 10.00 H new ATOM 1091 N VAL A 87 -7.097 -1.627 0.395 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.932 -2.826 -0.419 1.00 10.00 C ATOM 1093 C VAL A 87 -6.481 -2.484 -1.839 1.00 10.00 C ATOM 1094 O VAL A 87 -7.127 -1.701 -2.539 1.00 10.00 O ATOM 1095 CB VAL A 87 -8.246 -3.636 -0.490 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -8.048 -4.928 -1.270 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.768 -3.930 0.909 1.00 10.00 C ATOM 0 H VAL A 87 -7.951 -1.104 0.204 1.00 10.00 H new ATOM 0 HA VAL A 87 -6.161 -3.428 0.062 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.987 -3.034 -1.016 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.988 -5.479 -1.305 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.726 -4.695 -2.285 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -7.288 -5.537 -0.779 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -9.694 -4.501 0.839 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -8.026 -4.508 1.460 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -8.959 -2.992 1.431 1.00 10.00 H new ATOM 1107 N ILE A 88 -5.369 -3.076 -2.254 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.831 -2.859 -3.591 1.00 10.00 C ATOM 1109 C ILE A 88 -4.486 -4.207 -4.235 1.00 10.00 C ATOM 1110 O ILE A 88 -4.113 -5.155 -3.541 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.591 -1.930 -3.555 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -3.102 -1.614 -4.974 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.471 -2.548 -2.727 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -2.052 -0.528 -5.027 1.00 10.00 C ATOM 0 H ILE A 88 -4.819 -3.714 -1.680 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.591 -2.362 -4.194 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.888 -0.995 -3.081 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.696 -2.522 -5.419 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.954 -1.314 -5.584 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.612 -1.877 -2.718 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.818 -2.707 -1.706 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.180 -3.503 -3.164 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.755 -0.359 -6.062 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -2.460 0.394 -4.612 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -1.183 -0.834 -4.445 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.633 -4.302 -5.550 1.00 10.00 N ATOM 1127 CA GLU A 89 -4.351 -5.547 -6.260 1.00 10.00 C ATOM 1128 C GLU A 89 -3.065 -5.446 -7.068 1.00 10.00 C ATOM 1129 O GLU A 89 -2.685 -4.365 -7.518 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.500 -5.893 -7.203 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.842 -6.063 -6.515 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.983 -6.118 -7.506 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.490 -7.225 -7.775 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.383 -5.051 -8.019 1.00 10.00 O ATOM 0 H GLU A 89 -4.945 -3.536 -6.147 1.00 10.00 H new ATOM 0 HA GLU A 89 -4.237 -6.330 -5.510 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.587 -5.108 -7.955 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -5.256 -6.815 -7.731 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.832 -6.978 -5.922 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -7.002 -5.236 -5.823 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.409 -6.582 -7.258 1.00 10.00 N ATOM 1142 CA VAL A 90 -1.180 -6.638 -8.029 1.00 10.00 C ATOM 1143 C VAL A 90 -1.212 -7.841 -8.972 1.00 10.00 C ATOM 1144 O VAL A 90 -1.469 -8.971 -8.553 1.00 10.00 O ATOM 1145 CB VAL A 90 0.071 -6.691 -7.112 1.00 10.00 C ATOM 1146 CG1 VAL A 90 0.088 -7.954 -6.257 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.345 -6.579 -7.936 1.00 10.00 C ATOM 0 H VAL A 90 -2.712 -7.482 -6.885 1.00 10.00 H new ATOM 0 HA VAL A 90 -1.108 -5.724 -8.619 1.00 10.00 H new ATOM 0 HB VAL A 90 0.021 -5.838 -6.435 1.00 10.00 H new ATOM 0 HG11 VAL A 90 0.978 -7.956 -5.628 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -0.801 -7.979 -5.627 1.00 10.00 H new ATOM 0 HG13 VAL A 90 0.099 -8.831 -6.904 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.211 -6.618 -7.275 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.393 -7.405 -8.646 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.345 -5.634 -8.479 1.00 10.00 H new ATOM 1157 N TYR A 91 -0.997 -7.588 -10.253 1.00 10.00 N ATOM 1158 CA TYR A 91 -1.010 -8.652 -11.250 1.00 10.00 C ATOM 1159 C TYR A 91 0.192 -8.539 -12.173 1.00 10.00 C ATOM 1160 O TYR A 91 0.804 -7.478 -12.275 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.293 -8.599 -12.080 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.552 -8.877 -11.294 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -3.902 -10.175 -10.943 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.393 -7.842 -10.909 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -5.055 -10.434 -10.231 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.548 -8.094 -10.194 1.00 10.00 C ATOM 1167 CZ TYR A 91 -5.873 -9.391 -9.858 1.00 10.00 C ATOM 1168 OH TYR A 91 -7.025 -9.648 -9.150 1.00 10.00 O ATOM 0 H TYR A 91 -0.812 -6.658 -10.629 1.00 10.00 H new ATOM 0 HA TYR A 91 -0.965 -9.604 -10.721 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.375 -7.614 -12.539 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.217 -9.323 -12.891 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -3.261 -10.995 -11.232 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -4.141 -6.825 -11.172 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -5.314 -11.449 -9.968 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -6.193 -7.279 -9.900 1.00 10.00 H new ATOM 0 HH TYR A 91 -7.373 -8.811 -8.777 1.00 10.00 H new ATOM 1178 N GLN A 92 0.518 -9.631 -12.847 1.00 10.00 N ATOM 1179 CA GLN A 92 1.643 -9.650 -13.768 1.00 10.00 C ATOM 1180 C GLN A 92 1.229 -9.088 -15.125 1.00 10.00 C ATOM 1181 O GLN A 92 0.173 -9.435 -15.660 1.00 10.00 O ATOM 1182 CB GLN A 92 2.174 -11.075 -13.931 1.00 10.00 C ATOM 1183 CG GLN A 92 3.583 -11.141 -14.500 1.00 10.00 C ATOM 1184 CD GLN A 92 3.749 -12.262 -15.507 1.00 10.00 C ATOM 1185 OE1 GLN A 92 4.056 -13.397 -15.147 1.00 10.00 O ATOM 1186 NE2 GLN A 92 3.550 -11.948 -16.776 1.00 10.00 N ATOM 0 H GLN A 92 0.018 -10.517 -12.773 1.00 10.00 H new ATOM 0 HA GLN A 92 2.435 -9.025 -13.356 1.00 10.00 H new ATOM 0 HB2 GLN A 92 2.160 -11.572 -12.961 1.00 10.00 H new ATOM 0 HB3 GLN A 92 1.502 -11.631 -14.584 1.00 10.00 H new ATOM 0 HG2 GLN A 92 3.824 -10.190 -14.976 1.00 10.00 H new ATOM 0 HG3 GLN A 92 4.294 -11.280 -13.686 1.00 10.00 H new ATOM 0 HE21 GLN A 92 3.296 -10.994 -17.032 1.00 10.00 H new ATOM 0 HE22 GLN A 92 3.650 -12.660 -17.499 1.00 10.00 H new ATOM 1195 N GLU A 93 2.057 -8.210 -15.670 1.00 10.00 N ATOM 1196 CA GLU A 93 1.792 -7.598 -16.961 1.00 10.00 C ATOM 1197 C GLU A 93 2.089 -8.574 -18.091 1.00 10.00 C ATOM 1198 O GLU A 93 2.961 -9.436 -17.965 1.00 10.00 O ATOM 1199 CB GLU A 93 2.629 -6.328 -17.132 1.00 10.00 C ATOM 1200 CG GLU A 93 2.034 -5.109 -16.446 1.00 10.00 C ATOM 1201 CD GLU A 93 0.760 -4.638 -17.112 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -0.267 -5.343 -17.009 1.00 10.00 O ATOM 1203 OE2 GLU A 93 0.777 -3.565 -17.745 1.00 10.00 O ATOM 0 H GLU A 93 2.926 -7.904 -15.232 1.00 10.00 H new ATOM 0 HA GLU A 93 0.736 -7.332 -17.000 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.629 -6.506 -16.735 1.00 10.00 H new ATOM 0 HB3 GLU A 93 2.741 -6.117 -18.196 1.00 10.00 H new ATOM 0 HG2 GLU A 93 1.829 -5.347 -15.402 1.00 10.00 H new ATOM 0 HG3 GLU A 93 2.764 -4.300 -16.451 1.00 10.00 H new ATOM 1210 N GLN A 94 1.371 -8.421 -19.198 1.00 10.00 N ATOM 1211 CA GLN A 94 1.541 -9.290 -20.359 1.00 10.00 C ATOM 1212 C GLN A 94 2.900 -9.062 -21.017 1.00 10.00 C ATOM 1213 O GLN A 94 3.409 -9.925 -21.733 1.00 10.00 O ATOM 1214 CB GLN A 94 0.420 -9.043 -21.372 1.00 10.00 C ATOM 1215 CG GLN A 94 0.332 -10.098 -22.462 1.00 10.00 C ATOM 1216 CD GLN A 94 -0.609 -9.702 -23.583 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -0.787 -8.520 -23.871 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -1.211 -10.686 -24.228 1.00 10.00 N ATOM 0 H GLN A 94 0.661 -7.699 -19.317 1.00 10.00 H new ATOM 0 HA GLN A 94 1.494 -10.325 -20.019 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.532 -9.001 -20.843 1.00 10.00 H new ATOM 0 HB3 GLN A 94 0.570 -8.068 -21.835 1.00 10.00 H new ATOM 0 HG2 GLN A 94 1.326 -10.274 -22.873 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -0.004 -11.039 -22.026 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -1.037 -11.654 -23.959 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -1.850 -10.477 -24.995 1.00 10.00 H new ATOM 1227 N THR A 95 3.485 -7.898 -20.769 1.00 10.00 N ATOM 1228 CA THR A 95 4.781 -7.561 -21.331 1.00 10.00 C ATOM 1229 C THR A 95 5.904 -8.271 -20.578 1.00 10.00 C ATOM 1230 O THR A 95 7.038 -8.338 -21.050 1.00 10.00 O ATOM 1231 CB THR A 95 5.022 -6.042 -21.289 1.00 10.00 C ATOM 1232 OG1 THR A 95 4.607 -5.513 -20.019 1.00 10.00 O ATOM 1233 CG2 THR A 95 4.266 -5.342 -22.409 1.00 10.00 C ATOM 0 H THR A 95 3.079 -7.171 -20.180 1.00 10.00 H new ATOM 0 HA THR A 95 4.781 -7.893 -22.369 1.00 10.00 H new ATOM 0 HB THR A 95 6.088 -5.862 -21.425 1.00 10.00 H new ATOM 0 HG1 THR A 95 4.765 -4.546 -20.000 1.00 10.00 H new ATOM 0 HG21 THR A 95 4.452 -4.269 -22.358 1.00 10.00 H new ATOM 0 HG22 THR A 95 4.606 -5.724 -23.372 1.00 10.00 H new ATOM 0 HG23 THR A 95 3.198 -5.530 -22.300 1.00 10.00 H new ATOM 1241 N GLY A 96 5.575 -8.794 -19.398 1.00 10.00 N ATOM 1242 CA GLY A 96 6.559 -9.490 -18.584 1.00 10.00 C ATOM 1243 C GLY A 96 7.551 -8.538 -17.940 1.00 10.00 C ATOM 1244 O GLY A 96 8.509 -8.963 -17.292 1.00 10.00 O ATOM 0 H GLY A 96 4.641 -8.748 -18.990 1.00 10.00 H new ATOM 0 HA2 GLY A 96 6.048 -10.059 -17.807 1.00 10.00 H new ATOM 0 HA3 GLY A 96 7.097 -10.208 -19.203 1.00 10.00 H new ATOM 1248 N GLY A 97 7.316 -7.249 -18.116 1.00 10.00 N ATOM 1249 CA GLY A 97 8.193 -6.245 -17.564 1.00 10.00 C ATOM 1250 C GLY A 97 8.154 -4.980 -18.384 1.00 10.00 C ATOM 1251 O GLY A 97 9.177 -4.272 -18.441 1.00 10.00 O ATOM 0 H GLY A 97 6.522 -6.878 -18.639 1.00 10.00 H new ATOM 0 HA2 GLY A 97 7.899 -6.026 -16.537 1.00 10.00 H new ATOM 0 HA3 GLY A 97 9.213 -6.628 -17.529 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -4.715 -16.665 6.173 1.00 10.00 N ATOM 1257 CA ASN B 357 -3.915 -15.957 7.204 1.00 10.00 C ATOM 1258 C ASN B 357 -2.440 -15.897 6.816 1.00 10.00 C ATOM 1259 O ASN B 357 -1.598 -16.541 7.445 1.00 10.00 O ATOM 1260 CB ASN B 357 -4.040 -16.655 8.569 1.00 10.00 C ATOM 1261 CG ASN B 357 -3.317 -15.908 9.679 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -3.265 -14.677 9.696 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -2.747 -16.657 10.608 1.00 10.00 N ATOM 0 HA ASN B 357 -4.309 -14.943 7.274 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -5.094 -16.751 8.828 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -3.637 -17.665 8.494 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -2.240 -16.218 11.377 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -2.814 -17.673 10.556 1.00 10.00 H new ATOM 1270 N ASN B 358 -2.117 -15.184 5.750 1.00 10.00 N ATOM 1271 CA ASN B 358 -0.721 -15.040 5.360 1.00 10.00 C ATOM 1272 C ASN B 358 -0.390 -13.560 5.337 1.00 10.00 C ATOM 1273 O ASN B 358 -1.014 -12.798 4.603 1.00 10.00 O ATOM 1274 CB ASN B 358 -0.481 -15.665 3.972 1.00 10.00 C ATOM 1275 CG ASN B 358 0.978 -15.639 3.546 1.00 10.00 C ATOM 1276 OD1 ASN B 358 1.880 -15.467 4.368 1.00 10.00 O ATOM 1277 ND2 ASN B 358 1.225 -15.841 2.257 1.00 10.00 N ATOM 0 H ASN B 358 -2.786 -14.704 5.148 1.00 10.00 H new ATOM 0 HA ASN B 358 -0.079 -15.558 6.072 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -0.832 -16.697 3.980 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -1.078 -15.131 3.233 1.00 10.00 H new ATOM 0 HD21 ASN B 358 2.187 -15.857 1.919 1.00 10.00 H new ATOM 0 HD22 ASN B 358 0.453 -15.980 1.605 1.00 10.00 H new ATOM 1284 N ARG B 359 0.575 -13.149 6.148 1.00 10.00 N ATOM 1285 CA ARG B 359 0.965 -11.749 6.179 1.00 10.00 C ATOM 1286 C ARG B 359 2.468 -11.570 6.039 1.00 10.00 C ATOM 1287 O ARG B 359 3.256 -12.229 6.722 1.00 10.00 O ATOM 1288 CB ARG B 359 0.460 -11.049 7.447 1.00 10.00 C ATOM 1289 CG ARG B 359 1.141 -11.496 8.728 1.00 10.00 C ATOM 1290 CD ARG B 359 0.644 -10.698 9.923 1.00 10.00 C ATOM 1291 NE ARG B 359 1.480 -10.887 11.106 1.00 10.00 N ATOM 1292 CZ ARG B 359 1.002 -11.060 12.330 1.00 10.00 C ATOM 1293 NH1 ARG B 359 -0.311 -11.115 12.528 1.00 10.00 N ATOM 1294 NH2 ARG B 359 1.833 -11.189 13.355 1.00 10.00 N ATOM 0 H ARG B 359 1.094 -13.755 6.783 1.00 10.00 H new ATOM 0 HA ARG B 359 0.492 -11.279 5.317 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.599 -9.974 7.333 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.612 -11.224 7.541 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.952 -12.557 8.892 1.00 10.00 H new ATOM 0 HG3 ARG B 359 2.220 -11.376 8.630 1.00 10.00 H new ATOM 0 HD2 ARG B 359 0.619 -9.639 9.664 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -0.379 -10.994 10.154 1.00 10.00 H new ATOM 0 HE ARG B 359 2.493 -10.886 10.983 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -0.950 -11.024 11.738 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -0.680 -11.248 13.470 1.00 10.00 H new ATOM 0 HH21 ARG B 359 2.841 -11.155 13.202 1.00 10.00 H new ATOM 0 HH22 ARG B 359 1.464 -11.322 14.297 1.00 10.00 H new ATOM 1308 N ASP B 360 2.858 -10.711 5.133 1.00 10.00 N ATOM 1309 CA ASP B 360 4.255 -10.379 4.953 1.00 10.00 C ATOM 1310 C ASP B 360 4.387 -8.878 5.159 1.00 10.00 C ATOM 1311 O ASP B 360 3.645 -8.115 4.539 1.00 10.00 O ATOM 1312 CB ASP B 360 4.745 -10.790 3.563 1.00 10.00 C ATOM 1313 CG ASP B 360 6.247 -10.637 3.415 1.00 10.00 C ATOM 1314 OD1 ASP B 360 6.708 -10.250 2.320 1.00 10.00 O ATOM 1315 OD2 ASP B 360 6.976 -10.923 4.384 1.00 10.00 O ATOM 0 H ASP B 360 2.224 -10.222 4.501 1.00 10.00 H new ATOM 0 HA ASP B 360 4.872 -10.920 5.670 1.00 10.00 H new ATOM 0 HB2 ASP B 360 4.467 -11.827 3.374 1.00 10.00 H new ATOM 0 HB3 ASP B 360 4.244 -10.183 2.809 1.00 10.00 H new ATOM 1320 N PRO B 361 5.298 -8.414 6.019 1.00 10.00 N ATOM 1321 CA PRO B 361 5.452 -6.999 6.280 1.00 10.00 C ATOM 1322 C PRO B 361 6.732 -6.405 5.702 1.00 10.00 C ATOM 1323 O PRO B 361 7.836 -6.910 5.899 1.00 10.00 O ATOM 1324 CB PRO B 361 5.533 -6.998 7.808 1.00 10.00 C ATOM 1325 CG PRO B 361 6.147 -8.326 8.180 1.00 10.00 C ATOM 1326 CD PRO B 361 6.121 -9.201 6.940 1.00 10.00 C ATOM 0 HA PRO B 361 4.655 -6.403 5.835 1.00 10.00 H new ATOM 0 HB2 PRO B 361 6.142 -6.169 8.168 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.545 -6.884 8.253 1.00 10.00 H new ATOM 0 HG2 PRO B 361 7.169 -8.191 8.533 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.589 -8.793 8.991 1.00 10.00 H new ATOM 0 HD2 PRO B 361 7.122 -9.375 6.544 1.00 10.00 H new ATOM 0 HD3 PRO B 361 5.684 -10.179 7.142 1.00 10.00 H new ATOM 1334 N ILE B 362 6.551 -5.322 4.964 1.00 10.00 N ATOM 1335 CA ILE B 362 7.644 -4.607 4.338 1.00 10.00 C ATOM 1336 C ILE B 362 7.682 -3.166 4.834 1.00 10.00 C ATOM 1337 O ILE B 362 6.646 -2.500 4.923 1.00 10.00 O ATOM 1338 CB ILE B 362 7.544 -4.620 2.798 1.00 10.00 C ATOM 1339 CG1 ILE B 362 7.009 -5.971 2.310 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.906 -4.324 2.175 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.635 -5.983 0.847 1.00 10.00 C ATOM 0 H ILE B 362 5.634 -4.914 4.783 1.00 10.00 H new ATOM 0 HA ILE B 362 8.564 -5.120 4.616 1.00 10.00 H new ATOM 0 HB ILE B 362 6.847 -3.842 2.487 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.764 -6.737 2.489 1.00 10.00 H new ATOM 0 HG13 ILE B 362 6.134 -6.241 2.902 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.820 -4.337 1.089 1.00 10.00 H new ATOM 0 HG22 ILE B 362 9.249 -3.342 2.500 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.623 -5.082 2.491 1.00 10.00 H new ATOM 0 HD11 ILE B 362 6.265 -6.971 0.574 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.858 -5.241 0.664 1.00 10.00 H new ATOM 0 HD13 ILE B 362 7.512 -5.745 0.245 1.00 10.00 H new ATOM 1353 N VAL B 363 8.871 -2.701 5.170 1.00 10.00 N ATOM 1354 CA VAL B 363 9.065 -1.351 5.666 1.00 10.00 C ATOM 1355 C VAL B 363 9.907 -0.573 4.671 1.00 10.00 C ATOM 1356 O VAL B 363 10.902 -1.083 4.155 1.00 10.00 O ATOM 1357 CB VAL B 363 9.744 -1.329 7.047 1.00 10.00 C ATOM 1358 CG1 VAL B 363 9.622 0.047 7.684 1.00 10.00 C ATOM 1359 CG2 VAL B 363 9.163 -2.401 7.960 1.00 10.00 C ATOM 0 H VAL B 363 9.729 -3.248 5.107 1.00 10.00 H new ATOM 0 HA VAL B 363 8.083 -0.892 5.780 1.00 10.00 H new ATOM 0 HB VAL B 363 10.802 -1.548 6.905 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.108 0.041 8.659 1.00 10.00 H new ATOM 0 HG12 VAL B 363 10.101 0.788 7.044 1.00 10.00 H new ATOM 0 HG13 VAL B 363 8.569 0.300 7.806 1.00 10.00 H new ATOM 0 HG21 VAL B 363 9.661 -2.363 8.929 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.096 -2.226 8.094 1.00 10.00 H new ATOM 0 HG23 VAL B 363 9.316 -3.383 7.512 1.00 10.00 H new ATOM 1369 N ILE B 364 9.486 0.653 4.404 1.00 10.00 N ATOM 1370 CA ILE B 364 10.124 1.513 3.423 1.00 10.00 C ATOM 1371 C ILE B 364 10.763 2.742 4.056 1.00 10.00 C ATOM 1372 O ILE B 364 10.269 3.288 5.050 1.00 10.00 O ATOM 1373 CB ILE B 364 9.160 1.944 2.290 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.964 2.281 1.029 1.00 10.00 C ATOM 1375 CG2 ILE B 364 8.292 3.136 2.703 1.00 10.00 C ATOM 1376 CD1 ILE B 364 10.727 1.103 0.455 1.00 10.00 C ATOM 0 H ILE B 364 8.685 1.082 4.867 1.00 10.00 H new ATOM 0 HA ILE B 364 10.914 0.906 2.981 1.00 10.00 H new ATOM 0 HB ILE B 364 8.489 1.111 2.083 1.00 10.00 H new ATOM 0 HG12 ILE B 364 9.285 2.667 0.269 1.00 10.00 H new ATOM 0 HG13 ILE B 364 10.669 3.079 1.262 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.630 3.407 1.880 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.696 2.867 3.575 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.931 3.984 2.948 1.00 10.00 H new ATOM 0 HD11 ILE B 364 11.271 1.420 -0.435 1.00 10.00 H new ATOM 0 HD12 ILE B 364 11.432 0.730 1.197 1.00 10.00 H new ATOM 0 HD13 ILE B 364 10.027 0.311 0.189 1.00 10.00 H new HETATM 1388 N SEP B 365 11.870 3.157 3.464 1.00 10.00 N HETATM 1389 CA SEP B 365 12.647 4.287 3.927 1.00 10.00 C HETATM 1390 CB SEP B 365 14.142 3.949 3.901 1.00 10.00 C HETATM 1391 OG SEP B 365 14.396 2.797 3.104 1.00 10.00 O HETATM 1392 C SEP B 365 12.357 5.464 3.013 1.00 10.00 C HETATM 1393 O SEP B 365 12.251 5.319 1.791 1.00 10.00 O HETATM 1394 P SEP B 365 15.150 2.939 1.700 1.00 10.00 P HETATM 1395 O1P SEP B 365 16.126 1.864 1.431 1.00 10.00 O HETATM 1396 O2P SEP B 365 15.670 4.294 1.422 1.00 10.00 O HETATM 1397 O3P SEP B 365 14.013 2.720 0.601 1.00 10.00 O HETATM 0 HB3 SEP B 365 14.702 4.797 3.508 1.00 10.00 H new HETATM 0 HB2 SEP B 365 14.496 3.777 4.917 1.00 10.00 H new HETATM 0 HA SEP B 365 12.376 4.534 4.954 1.00 10.00 H new HETATM 0 H SEP B 365 12.340 2.297 3.181 1.00 10.00 H new ATOM 1402 N ASP B 366 12.180 6.625 3.620 1.00 10.00 N ATOM 1403 CA ASP B 366 11.777 7.822 2.903 1.00 10.00 C ATOM 1404 C ASP B 366 12.887 8.870 2.843 1.00 10.00 C ATOM 1405 O ASP B 366 13.544 9.171 3.843 1.00 10.00 O ATOM 1406 CB ASP B 366 10.533 8.380 3.604 1.00 10.00 C ATOM 1407 CG ASP B 366 10.311 9.859 3.390 1.00 10.00 C ATOM 1408 OD1 ASP B 366 10.470 10.633 4.361 1.00 10.00 O ATOM 1409 OD2 ASP B 366 9.935 10.246 2.268 1.00 10.00 O ATOM 0 H ASP B 366 12.311 6.764 4.622 1.00 10.00 H new ATOM 0 HA ASP B 366 11.558 7.565 1.867 1.00 10.00 H new ATOM 0 HB2 ASP B 366 9.656 7.838 3.250 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.616 8.188 4.674 1.00 10.00 H new HETATM 1414 N SEP B 367 13.097 9.371 1.627 1.00 10.00 N HETATM 1415 CA SEP B 367 14.127 10.361 1.326 1.00 10.00 C HETATM 1416 CB SEP B 367 14.099 10.683 -0.173 1.00 10.00 C HETATM 1417 OG SEP B 367 14.930 9.797 -0.908 1.00 10.00 O HETATM 1418 C SEP B 367 13.959 11.655 2.125 1.00 10.00 C HETATM 1419 O SEP B 367 12.876 12.245 2.153 1.00 10.00 O HETATM 1420 P SEP B 367 14.383 8.385 -1.413 1.00 10.00 P HETATM 1421 O1P SEP B 367 12.915 8.299 -1.530 1.00 10.00 O HETATM 1422 O2P SEP B 367 15.101 7.866 -2.589 1.00 10.00 O HETATM 1423 O3P SEP B 367 14.761 7.374 -0.238 1.00 10.00 O HETATM 0 HB3 SEP B 367 13.076 10.615 -0.542 1.00 10.00 H new HETATM 0 HB2 SEP B 367 14.428 11.710 -0.333 1.00 10.00 H new HETATM 0 HA SEP B 367 15.085 9.927 1.612 1.00 10.00 H new HETATM 0 H SEP B 367 12.502 9.012 0.881 1.00 10.00 H new ATOM 1428 N PRO B 368 15.032 12.098 2.803 1.00 10.00 N ATOM 1429 CA PRO B 368 15.027 13.343 3.577 1.00 10.00 C ATOM 1430 C PRO B 368 14.820 14.561 2.685 1.00 10.00 C ATOM 1431 O PRO B 368 13.920 15.371 2.983 1.00 10.00 O ATOM 1432 CB PRO B 368 16.422 13.389 4.216 1.00 10.00 C ATOM 1433 CG PRO B 368 16.946 11.999 4.124 1.00 10.00 C ATOM 1434 CD PRO B 368 16.328 11.406 2.893 1.00 10.00 C ATOM 0 HA PRO B 368 14.216 13.364 4.305 1.00 10.00 H new ATOM 0 HB2 PRO B 368 17.072 14.089 3.691 1.00 10.00 H new ATOM 0 HB3 PRO B 368 16.368 13.721 5.253 1.00 10.00 H new ATOM 0 HG2 PRO B 368 18.034 11.996 4.055 1.00 10.00 H new ATOM 0 HG3 PRO B 368 16.681 11.422 5.010 1.00 10.00 H new ATOM 0 HD2 PRO B 368 16.941 11.582 2.009 1.00 10.00 H new ATOM 0 HD3 PRO B 368 16.203 10.327 2.984 1.00 10.00 H new TER 1442 PRO B 368