USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 614 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 83 LYS NZ :NH3+ -124:sc= 1.12 (180deg=-1.3!) USER MOD Set 1.2: A 84 TYR OH : rot 170:sc= -0.0489 USER MOD Set 2.1: A 29 SER OG : rot -55:sc= 0.758! USER MOD Set 2.2: A 30 HIS : no HE2:sc= 0.514 K(o=1.3,f=-10!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ -129:sc= -1.93! (180deg=-5.32!) USER MOD Set 3.2: A 73 TYR OH : rot 26:sc= -0.113 USER MOD Single : A 7 LYS NZ :NH3+ -118:sc= -0.284 (180deg=-3.7!) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.145 F(o=-1,f=-0.15) USER MOD Single : A 16 LYS NZ :NH3+ -110:sc= -5.42! (180deg=-8.26!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0958 USER MOD Single : A 18 LYS NZ :NH3+ -121:sc= 1.89 (180deg=-0.159) USER MOD Single : A 24 MET CE :methyl -118:sc= -0.0354 (180deg=-0.445) USER MOD Single : A 28 TYR OH : rot -81:sc= 1.25 USER MOD Single : A 31 TYR OH : rot -19:sc= 0.805 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -3.91! C(o=-3.9!,f=-9.2!) USER MOD Single : A 35 THR OG1 : rot -95:sc= 0.771 USER MOD Single : A 40 ASN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= 0.466 (180deg=0.0637) USER MOD Single : A 54 LYS NZ :NH3+ 138:sc= 1.16 (180deg=-0.0182) USER MOD Single : A 59 ASN :FLIP amide:sc= -3.92 F(o=-5.7!,f=-3.9) USER MOD Single : A 62 LYS NZ :NH3+ -115:sc= -0.533! (180deg=-5.86!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -152:sc= 1.57 USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 0.409 (180deg=-1.56!) USER MOD Single : A 70 MET CE :methyl -168:sc= -2.38 (180deg=-2.82!) USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= -0.85 (180deg=-2.08!) USER MOD Single : A 76 LYS NZ :NH3+ -140:sc= -0.436 (180deg=-2.72!) USER MOD Single : A 81 LYS NZ :NH3+ -116:sc= 0.933 (180deg=-0.0253) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= -3.5! (180deg=-6!) USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 9.121 6.916 -0.488 1.00 0.48 N ATOM 42 CA GLU A 4 8.556 7.502 0.774 1.00 0.39 C ATOM 43 C GLU A 4 8.546 9.016 0.531 1.00 0.38 C ATOM 44 O GLU A 4 8.463 9.847 1.395 1.00 0.49 O ATOM 45 CB GLU A 4 9.404 7.081 1.996 1.00 0.47 C ATOM 46 CG GLU A 4 10.904 6.899 1.611 1.00 0.73 C ATOM 47 CD GLU A 4 11.848 6.822 2.826 1.00 1.18 C ATOM 48 OE1 GLU A 4 11.395 7.117 3.922 1.00 1.96 O ATOM 49 OE2 GLU A 4 12.988 6.476 2.566 1.00 1.74 O ATOM 0 HA GLU A 4 7.551 7.147 1.002 1.00 0.39 H new ATOM 0 HB2 GLU A 4 9.316 7.834 2.779 1.00 0.47 H new ATOM 0 HB3 GLU A 4 9.016 6.149 2.406 1.00 0.47 H new ATOM 0 HG2 GLU A 4 11.011 5.989 1.020 1.00 0.73 H new ATOM 0 HG3 GLU A 4 11.211 7.730 0.975 1.00 0.73 H new ATOM 56 N PHE A 5 8.638 9.316 -0.727 1.00 0.28 N ATOM 57 CA PHE A 5 8.654 10.676 -1.296 1.00 0.27 C ATOM 58 C PHE A 5 7.439 11.506 -0.840 1.00 0.29 C ATOM 59 O PHE A 5 7.588 12.632 -0.417 1.00 0.23 O ATOM 60 CB PHE A 5 8.590 10.366 -2.762 1.00 0.34 C ATOM 61 CG PHE A 5 8.256 11.626 -3.502 1.00 0.36 C ATOM 62 CD1 PHE A 5 9.213 12.522 -3.838 1.00 0.83 C ATOM 63 CD2 PHE A 5 6.956 11.875 -3.810 1.00 1.08 C ATOM 64 CE1 PHE A 5 8.884 13.672 -4.474 1.00 0.76 C ATOM 65 CE2 PHE A 5 6.586 13.018 -4.452 1.00 1.18 C ATOM 66 CZ PHE A 5 7.567 13.934 -4.791 1.00 0.42 C ATOM 0 H PHE A 5 8.709 8.595 -1.445 1.00 0.28 H new ATOM 0 HA PHE A 5 9.512 11.277 -0.995 1.00 0.27 H new ATOM 0 HB2 PHE A 5 9.544 9.966 -3.106 1.00 0.34 H new ATOM 0 HB3 PHE A 5 7.836 9.603 -2.955 1.00 0.34 H new ATOM 0 HD1 PHE A 5 10.246 12.319 -3.597 1.00 0.83 H new ATOM 0 HD2 PHE A 5 6.201 11.152 -3.540 1.00 1.08 H new ATOM 0 HE1 PHE A 5 9.653 14.384 -4.733 1.00 0.76 H new ATOM 0 HE2 PHE A 5 5.550 13.206 -4.691 1.00 1.18 H new ATOM 0 HZ PHE A 5 7.303 14.849 -5.301 1.00 0.42 H new ATOM 76 N ASP A 6 6.264 10.948 -0.925 1.00 0.41 N ATOM 77 CA ASP A 6 5.101 11.740 -0.482 1.00 0.41 C ATOM 78 C ASP A 6 5.114 11.901 1.057 1.00 0.40 C ATOM 79 O ASP A 6 4.337 12.631 1.638 1.00 0.75 O ATOM 80 CB ASP A 6 3.910 11.227 -1.223 1.00 0.34 C ATOM 81 CG ASP A 6 3.832 11.960 -2.575 1.00 0.21 C ATOM 82 OD1 ASP A 6 3.662 13.171 -2.543 1.00 0.75 O ATOM 83 OD2 ASP A 6 3.963 11.271 -3.567 1.00 0.98 O ATOM 0 H ASP A 6 6.068 10.009 -1.271 1.00 0.41 H new ATOM 0 HA ASP A 6 5.102 12.796 -0.752 1.00 0.41 H new ATOM 0 HB2 ASP A 6 3.993 10.151 -1.378 1.00 0.34 H new ATOM 0 HB3 ASP A 6 3.001 11.397 -0.646 1.00 0.34 H new ATOM 88 N LYS A 7 6.045 11.197 1.660 1.00 0.36 N ATOM 89 CA LYS A 7 6.198 11.262 3.140 1.00 0.36 C ATOM 90 C LYS A 7 7.207 12.383 3.309 1.00 0.31 C ATOM 91 O LYS A 7 7.061 13.273 4.119 1.00 0.35 O ATOM 92 CB LYS A 7 6.739 9.989 3.769 1.00 0.46 C ATOM 93 CG LYS A 7 6.678 10.219 5.313 1.00 0.80 C ATOM 94 CD LYS A 7 6.489 8.891 6.072 1.00 0.91 C ATOM 95 CE LYS A 7 5.041 8.399 5.911 1.00 1.63 C ATOM 96 NZ LYS A 7 4.134 9.382 6.589 1.00 2.05 N ATOM 0 H LYS A 7 6.704 10.581 1.185 1.00 0.36 H new ATOM 0 HA LYS A 7 5.236 11.412 3.631 1.00 0.36 H new ATOM 0 HB2 LYS A 7 6.142 9.125 3.478 1.00 0.46 H new ATOM 0 HB3 LYS A 7 7.761 9.795 3.442 1.00 0.46 H new ATOM 0 HG2 LYS A 7 7.596 10.703 5.647 1.00 0.80 H new ATOM 0 HG3 LYS A 7 5.856 10.895 5.550 1.00 0.80 H new ATOM 0 HD2 LYS A 7 7.182 8.141 5.690 1.00 0.91 H new ATOM 0 HD3 LYS A 7 6.720 9.029 7.128 1.00 0.91 H new ATOM 0 HE2 LYS A 7 4.785 8.311 4.855 1.00 1.63 H new ATOM 0 HE3 LYS A 7 4.925 7.409 6.351 1.00 1.63 H new ATOM 0 HZ1 LYS A 7 3.629 8.910 7.366 1.00 2.05 H new ATOM 0 HZ2 LYS A 7 4.698 10.169 6.970 1.00 2.05 H new ATOM 0 HZ3 LYS A 7 3.446 9.751 5.902 1.00 2.05 H new ATOM 110 N ALA A 8 8.226 12.280 2.498 1.00 0.27 N ATOM 111 CA ALA A 8 9.318 13.303 2.500 1.00 0.31 C ATOM 112 C ALA A 8 8.505 14.604 2.443 1.00 0.20 C ATOM 113 O ALA A 8 8.646 15.503 3.235 1.00 0.27 O ATOM 114 CB ALA A 8 10.200 13.061 1.271 1.00 0.31 C ATOM 0 H ALA A 8 8.352 11.523 1.826 1.00 0.27 H new ATOM 0 HA ALA A 8 10.006 13.297 3.346 1.00 0.31 H new ATOM 0 HB1 ALA A 8 11.005 13.796 1.250 1.00 0.31 H new ATOM 0 HB2 ALA A 8 10.625 12.058 1.320 1.00 0.31 H new ATOM 0 HB3 ALA A 8 9.598 13.156 0.367 1.00 0.31 H new ATOM 120 N ALA A 9 7.657 14.617 1.468 1.00 0.25 N ATOM 121 CA ALA A 9 6.748 15.749 1.220 1.00 0.39 C ATOM 122 C ALA A 9 5.992 16.104 2.522 1.00 0.41 C ATOM 123 O ALA A 9 6.091 17.216 2.998 1.00 0.38 O ATOM 124 CB ALA A 9 5.754 15.222 0.163 1.00 0.66 C ATOM 0 H ALA A 9 7.554 13.851 0.803 1.00 0.25 H new ATOM 0 HA ALA A 9 7.273 16.645 0.889 1.00 0.39 H new ATOM 0 HB1 ALA A 9 5.036 16.004 -0.083 1.00 0.66 H new ATOM 0 HB2 ALA A 9 6.298 14.933 -0.736 1.00 0.66 H new ATOM 0 HB3 ALA A 9 5.225 14.356 0.561 1.00 0.66 H new ATOM 130 N GLU A 10 5.287 15.122 3.008 1.00 0.48 N ATOM 131 CA GLU A 10 4.456 15.209 4.260 1.00 0.60 C ATOM 132 C GLU A 10 5.198 15.917 5.428 1.00 0.39 C ATOM 133 O GLU A 10 4.639 16.714 6.157 1.00 0.50 O ATOM 134 CB GLU A 10 4.112 13.745 4.612 1.00 0.83 C ATOM 135 CG GLU A 10 3.133 13.609 5.789 1.00 1.38 C ATOM 136 CD GLU A 10 3.132 12.144 6.219 1.00 1.92 C ATOM 137 OE1 GLU A 10 2.428 11.340 5.632 1.00 1.79 O ATOM 138 OE2 GLU A 10 3.875 11.859 7.139 1.00 2.91 O ATOM 0 H GLU A 10 5.247 14.204 2.565 1.00 0.48 H new ATOM 0 HA GLU A 10 3.566 15.816 4.097 1.00 0.60 H new ATOM 0 HB2 GLU A 10 3.682 13.261 3.735 1.00 0.83 H new ATOM 0 HB3 GLU A 10 5.032 13.212 4.852 1.00 0.83 H new ATOM 0 HG2 GLU A 10 3.436 14.251 6.616 1.00 1.38 H new ATOM 0 HG3 GLU A 10 2.132 13.922 5.493 1.00 1.38 H new ATOM 145 N GLU A 11 6.456 15.571 5.517 1.00 0.28 N ATOM 146 CA GLU A 11 7.418 16.067 6.529 1.00 0.42 C ATOM 147 C GLU A 11 7.974 17.451 6.189 1.00 0.44 C ATOM 148 O GLU A 11 7.769 18.457 6.837 1.00 0.63 O ATOM 149 CB GLU A 11 8.600 15.097 6.482 1.00 0.68 C ATOM 150 CG GLU A 11 8.474 13.694 7.183 1.00 1.00 C ATOM 151 CD GLU A 11 9.758 12.892 6.871 1.00 1.58 C ATOM 152 OE1 GLU A 11 10.798 13.516 6.982 1.00 2.36 O ATOM 153 OE2 GLU A 11 9.656 11.718 6.550 1.00 1.84 O ATOM 0 H GLU A 11 6.879 14.908 4.868 1.00 0.28 H new ATOM 0 HA GLU A 11 6.916 16.133 7.494 1.00 0.42 H new ATOM 0 HB2 GLU A 11 8.836 14.919 5.433 1.00 0.68 H new ATOM 0 HB3 GLU A 11 9.459 15.606 6.920 1.00 0.68 H new ATOM 0 HG2 GLU A 11 8.351 13.815 8.259 1.00 1.00 H new ATOM 0 HG3 GLU A 11 7.594 13.163 6.819 1.00 1.00 H new ATOM 160 N VAL A 12 8.682 17.447 5.111 1.00 0.41 N ATOM 161 CA VAL A 12 9.331 18.637 4.578 1.00 0.59 C ATOM 162 C VAL A 12 8.397 19.825 4.475 1.00 0.83 C ATOM 163 O VAL A 12 8.726 20.927 4.861 1.00 1.05 O ATOM 164 CB VAL A 12 9.997 18.227 3.276 1.00 0.56 C ATOM 165 CG1 VAL A 12 9.209 18.501 2.020 1.00 0.83 C ATOM 166 CG2 VAL A 12 11.353 18.828 3.264 1.00 0.56 C ATOM 0 H VAL A 12 8.840 16.609 4.551 1.00 0.41 H new ATOM 0 HA VAL A 12 10.094 19.007 5.262 1.00 0.59 H new ATOM 0 HB VAL A 12 10.057 17.139 3.255 1.00 0.56 H new ATOM 0 HG11 VAL A 12 9.779 18.169 1.153 1.00 0.83 H new ATOM 0 HG12 VAL A 12 8.262 17.962 2.060 1.00 0.83 H new ATOM 0 HG13 VAL A 12 9.015 19.570 1.938 1.00 0.83 H new ATOM 0 HG21 VAL A 12 11.864 18.555 2.341 1.00 0.56 H new ATOM 0 HG22 VAL A 12 11.271 19.913 3.326 1.00 0.56 H new ATOM 0 HG23 VAL A 12 11.922 18.458 4.117 1.00 0.56 H new ATOM 176 N LYS A 13 7.238 19.574 3.944 1.00 0.81 N ATOM 177 CA LYS A 13 6.248 20.675 3.799 1.00 1.01 C ATOM 178 C LYS A 13 5.616 21.142 5.107 1.00 1.11 C ATOM 179 O LYS A 13 4.960 22.163 5.141 1.00 1.25 O ATOM 180 CB LYS A 13 5.240 20.322 2.705 1.00 1.30 C ATOM 181 CG LYS A 13 5.945 20.643 1.373 1.00 1.88 C ATOM 182 CD LYS A 13 5.162 20.065 0.194 1.00 2.42 C ATOM 183 CE LYS A 13 5.221 18.559 0.302 1.00 2.44 C ATOM 184 NZ LYS A 13 5.258 18.011 -1.083 1.00 3.41 N ATOM 0 H LYS A 13 6.933 18.662 3.606 1.00 0.81 H new ATOM 0 HA LYS A 13 6.793 21.563 3.480 1.00 1.01 H new ATOM 0 HB2 LYS A 13 4.958 19.270 2.756 1.00 1.30 H new ATOM 0 HB3 LYS A 13 4.324 20.903 2.814 1.00 1.30 H new ATOM 0 HG2 LYS A 13 6.041 21.723 1.258 1.00 1.88 H new ATOM 0 HG3 LYS A 13 6.955 20.232 1.382 1.00 1.88 H new ATOM 0 HD2 LYS A 13 4.128 20.410 0.214 1.00 2.42 H new ATOM 0 HD3 LYS A 13 5.591 20.398 -0.751 1.00 2.42 H new ATOM 0 HE2 LYS A 13 6.104 18.249 0.860 1.00 2.44 H new ATOM 0 HE3 LYS A 13 4.353 18.179 0.841 1.00 2.44 H new ATOM 0 HZ1 LYS A 13 4.526 17.280 -1.187 1.00 3.41 H new ATOM 0 HZ2 LYS A 13 5.081 18.777 -1.764 1.00 3.41 H new ATOM 0 HZ3 LYS A 13 6.193 17.593 -1.266 1.00 3.41 H new ATOM 198 N HIS A 14 5.833 20.382 6.141 1.00 1.04 N ATOM 199 CA HIS A 14 5.300 20.705 7.476 1.00 1.18 C ATOM 200 C HIS A 14 6.415 21.175 8.418 1.00 1.16 C ATOM 201 O HIS A 14 6.118 21.827 9.397 1.00 1.14 O ATOM 202 CB HIS A 14 4.984 19.330 7.889 1.00 1.36 C ATOM 203 CG HIS A 14 4.656 19.088 9.303 1.00 0.39 C ATOM 204 ND1 HIS A 14 3.910 19.616 10.329 1.00 1.46 N flip ATOM 205 CD2 HIS A 14 5.237 18.060 9.753 1.00 0.79 C flip ATOM 206 CE1 HIS A 14 4.076 18.859 11.394 1.00 2.55 C flip ATOM 207 NE2 HIS A 14 4.900 17.912 11.000 1.00 2.04 N flip ATOM 0 H HIS A 14 6.379 19.521 6.106 1.00 1.04 H new ATOM 0 HA HIS A 14 4.518 21.464 7.486 1.00 1.18 H new ATOM 0 HB2 HIS A 14 4.142 18.987 7.288 1.00 1.36 H new ATOM 0 HB3 HIS A 14 5.836 18.701 7.632 1.00 1.36 H new ATOM 0 HD1 HIS A 14 3.327 20.451 10.275 1.00 1.46 H new ATOM 0 HD2 HIS A 14 5.900 17.414 9.197 1.00 0.79 H new ATOM 0 HE1 HIS A 14 3.635 18.987 12.371 1.00 2.55 H new ATOM 215 N LEU A 15 7.650 20.830 8.098 1.00 1.18 N ATOM 216 CA LEU A 15 8.803 21.214 8.940 1.00 1.20 C ATOM 217 C LEU A 15 8.563 22.299 9.948 1.00 1.23 C ATOM 218 O LEU A 15 8.369 23.463 9.652 1.00 1.26 O ATOM 219 CB LEU A 15 9.960 21.599 8.119 1.00 1.19 C ATOM 220 CG LEU A 15 10.452 20.387 7.370 1.00 1.05 C ATOM 221 CD1 LEU A 15 11.505 20.883 6.531 1.00 1.16 C ATOM 222 CD2 LEU A 15 11.002 19.239 8.221 1.00 1.06 C ATOM 0 H LEU A 15 7.894 20.288 7.269 1.00 1.18 H new ATOM 0 HA LEU A 15 8.994 20.306 9.511 1.00 1.20 H new ATOM 0 HB2 LEU A 15 9.680 22.387 7.419 1.00 1.19 H new ATOM 0 HB3 LEU A 15 10.753 22.000 8.750 1.00 1.19 H new ATOM 0 HG LEU A 15 9.602 19.944 6.851 1.00 1.05 H new ATOM 0 HD11 LEU A 15 11.922 20.062 5.947 1.00 1.16 H new ATOM 0 HD12 LEU A 15 11.107 21.642 5.857 1.00 1.16 H new ATOM 0 HD13 LEU A 15 12.287 21.322 7.150 1.00 1.16 H new ATOM 0 HD21 LEU A 15 11.324 18.426 7.571 1.00 1.06 H new ATOM 0 HD22 LEU A 15 11.851 19.594 8.806 1.00 1.06 H new ATOM 0 HD23 LEU A 15 10.223 18.879 8.893 1.00 1.06 H new ATOM 234 N LYS A 16 8.611 21.803 11.137 1.00 1.24 N ATOM 235 CA LYS A 16 8.411 22.629 12.379 1.00 1.35 C ATOM 236 C LYS A 16 9.382 23.859 12.482 1.00 0.80 C ATOM 237 O LYS A 16 9.487 24.509 13.502 1.00 0.28 O ATOM 238 CB LYS A 16 8.618 21.627 13.558 1.00 1.74 C ATOM 239 CG LYS A 16 8.294 22.272 14.949 1.00 1.97 C ATOM 240 CD LYS A 16 8.421 21.246 16.129 1.00 2.14 C ATOM 241 CE LYS A 16 9.867 20.759 16.345 1.00 1.02 C ATOM 242 NZ LYS A 16 10.209 19.795 15.265 1.00 0.78 N ATOM 0 H LYS A 16 8.788 20.816 11.324 1.00 1.24 H new ATOM 0 HA LYS A 16 7.421 23.085 12.384 1.00 1.35 H new ATOM 0 HB2 LYS A 16 7.982 20.755 13.407 1.00 1.74 H new ATOM 0 HB3 LYS A 16 9.649 21.274 13.555 1.00 1.74 H new ATOM 0 HG2 LYS A 16 8.970 23.109 15.125 1.00 1.97 H new ATOM 0 HG3 LYS A 16 7.282 22.678 14.931 1.00 1.97 H new ATOM 0 HD2 LYS A 16 8.057 21.708 17.047 1.00 2.14 H new ATOM 0 HD3 LYS A 16 7.780 20.388 15.929 1.00 2.14 H new ATOM 0 HE2 LYS A 16 10.557 21.603 16.331 1.00 1.02 H new ATOM 0 HE3 LYS A 16 9.964 20.284 17.321 1.00 1.02 H new ATOM 0 HZ1 LYS A 16 10.283 18.838 15.665 1.00 0.78 H new ATOM 0 HZ2 LYS A 16 9.465 19.810 14.538 1.00 0.78 H new ATOM 0 HZ3 LYS A 16 11.118 20.063 14.836 1.00 0.78 H new ATOM 256 N THR A 17 10.095 24.182 11.436 1.00 1.19 N ATOM 257 CA THR A 17 11.061 25.343 11.423 1.00 0.75 C ATOM 258 C THR A 17 11.081 25.964 10.013 1.00 0.78 C ATOM 259 O THR A 17 10.380 25.491 9.142 1.00 1.18 O ATOM 260 CB THR A 17 12.439 24.822 11.845 1.00 0.62 C ATOM 261 OG1 THR A 17 12.267 24.326 13.168 1.00 1.07 O ATOM 262 CG2 THR A 17 13.513 25.886 12.042 1.00 0.48 C ATOM 0 H THR A 17 10.052 23.674 10.552 1.00 1.19 H new ATOM 0 HA THR A 17 10.759 26.124 12.121 1.00 0.75 H new ATOM 0 HB THR A 17 12.755 24.133 11.062 1.00 0.62 H new ATOM 0 HG1 THR A 17 13.120 23.973 13.499 1.00 1.07 H new ATOM 0 HG21 THR A 17 14.447 25.409 12.339 1.00 0.48 H new ATOM 0 HG22 THR A 17 13.663 26.428 11.109 1.00 0.48 H new ATOM 0 HG23 THR A 17 13.197 26.582 12.819 1.00 0.48 H new ATOM 270 N LYS A 18 11.850 26.998 9.784 1.00 0.68 N ATOM 271 CA LYS A 18 11.901 27.640 8.413 1.00 1.07 C ATOM 272 C LYS A 18 13.122 27.285 7.487 1.00 0.96 C ATOM 273 O LYS A 18 14.023 28.096 7.336 1.00 1.03 O ATOM 274 CB LYS A 18 11.810 29.180 8.574 1.00 1.39 C ATOM 275 CG LYS A 18 11.639 29.787 7.135 1.00 2.24 C ATOM 276 CD LYS A 18 12.407 31.129 6.998 1.00 3.45 C ATOM 277 CE LYS A 18 13.087 31.197 5.616 1.00 4.62 C ATOM 278 NZ LYS A 18 14.177 30.168 5.600 1.00 5.23 N ATOM 0 H LYS A 18 12.451 27.435 10.483 1.00 0.68 H new ATOM 0 HA LYS A 18 11.047 27.211 7.888 1.00 1.07 H new ATOM 0 HB2 LYS A 18 10.967 29.451 9.209 1.00 1.39 H new ATOM 0 HB3 LYS A 18 12.708 29.571 9.052 1.00 1.39 H new ATOM 0 HG2 LYS A 18 12.005 29.078 6.392 1.00 2.24 H new ATOM 0 HG3 LYS A 18 10.581 29.948 6.928 1.00 2.24 H new ATOM 0 HD2 LYS A 18 11.720 31.967 7.118 1.00 3.45 H new ATOM 0 HD3 LYS A 18 13.154 31.214 7.787 1.00 3.45 H new ATOM 0 HE2 LYS A 18 12.365 31.003 4.823 1.00 4.62 H new ATOM 0 HE3 LYS A 18 13.496 32.192 5.438 1.00 4.62 H new ATOM 0 HZ1 LYS A 18 15.090 30.632 5.419 1.00 5.23 H new ATOM 0 HZ2 LYS A 18 14.211 29.684 6.520 1.00 5.23 H new ATOM 0 HZ3 LYS A 18 13.987 29.473 4.850 1.00 5.23 H new ATOM 292 N PRO A 19 13.147 26.109 6.898 1.00 0.81 N ATOM 293 CA PRO A 19 14.261 25.681 5.994 1.00 0.68 C ATOM 294 C PRO A 19 14.933 26.770 5.142 1.00 0.86 C ATOM 295 O PRO A 19 14.293 27.722 4.725 1.00 1.05 O ATOM 296 CB PRO A 19 13.571 24.687 5.073 1.00 0.56 C ATOM 297 CG PRO A 19 12.522 24.003 5.982 1.00 0.59 C ATOM 298 CD PRO A 19 12.101 25.057 7.024 1.00 0.79 C ATOM 0 HA PRO A 19 15.089 25.310 6.599 1.00 0.68 H new ATOM 0 HB2 PRO A 19 13.101 25.187 4.226 1.00 0.56 H new ATOM 0 HB3 PRO A 19 14.277 23.964 4.664 1.00 0.56 H new ATOM 0 HG2 PRO A 19 11.664 23.667 5.400 1.00 0.59 H new ATOM 0 HG3 PRO A 19 12.943 23.123 6.468 1.00 0.59 H new ATOM 0 HD2 PRO A 19 11.107 25.453 6.815 1.00 0.79 H new ATOM 0 HD3 PRO A 19 12.073 24.638 8.030 1.00 0.79 H new ATOM 306 N ALA A 20 16.207 26.626 4.866 1.00 0.87 N ATOM 307 CA ALA A 20 16.870 27.682 4.036 1.00 1.06 C ATOM 308 C ALA A 20 16.249 27.632 2.635 1.00 0.89 C ATOM 309 O ALA A 20 15.832 26.583 2.165 1.00 0.74 O ATOM 310 CB ALA A 20 18.376 27.398 3.942 1.00 1.14 C ATOM 0 H ALA A 20 16.800 25.852 5.167 1.00 0.87 H new ATOM 0 HA ALA A 20 16.728 28.665 4.485 1.00 1.06 H new ATOM 0 HB1 ALA A 20 18.855 28.168 3.337 1.00 1.14 H new ATOM 0 HB2 ALA A 20 18.810 27.400 4.942 1.00 1.14 H new ATOM 0 HB3 ALA A 20 18.534 26.424 3.480 1.00 1.14 H new ATOM 316 N ASP A 21 16.204 28.775 2.005 1.00 0.94 N ATOM 317 CA ASP A 21 15.617 28.825 0.648 1.00 0.78 C ATOM 318 C ASP A 21 16.190 27.701 -0.224 1.00 0.70 C ATOM 319 O ASP A 21 15.425 26.889 -0.678 1.00 0.61 O ATOM 320 CB ASP A 21 15.821 30.240 0.080 1.00 0.74 C ATOM 321 CG ASP A 21 14.632 30.605 -0.803 1.00 0.84 C ATOM 322 OD1 ASP A 21 13.553 30.707 -0.235 1.00 0.61 O ATOM 323 OD2 ASP A 21 14.846 30.769 -1.987 1.00 2.17 O ATOM 0 H ASP A 21 16.546 29.664 2.371 1.00 0.94 H new ATOM 0 HA ASP A 21 14.543 28.643 0.672 1.00 0.78 H new ATOM 0 HB2 ASP A 21 15.920 30.960 0.893 1.00 0.74 H new ATOM 0 HB3 ASP A 21 16.744 30.283 -0.498 1.00 0.74 H new ATOM 328 N GLU A 22 17.471 27.623 -0.443 1.00 0.75 N ATOM 329 CA GLU A 22 17.972 26.496 -1.310 1.00 0.66 C ATOM 330 C GLU A 22 17.419 25.089 -0.870 1.00 0.58 C ATOM 331 O GLU A 22 17.067 24.290 -1.715 1.00 0.54 O ATOM 332 CB GLU A 22 19.497 26.566 -1.387 1.00 0.91 C ATOM 333 CG GLU A 22 19.889 27.517 -2.579 1.00 1.28 C ATOM 334 CD GLU A 22 19.625 26.818 -3.925 1.00 2.98 C ATOM 335 OE1 GLU A 22 18.528 26.935 -4.449 1.00 3.87 O ATOM 336 OE2 GLU A 22 20.582 26.192 -4.336 1.00 3.67 O ATOM 0 H GLU A 22 18.179 28.260 -0.079 1.00 0.75 H new ATOM 0 HA GLU A 22 17.578 26.622 -2.319 1.00 0.66 H new ATOM 0 HB2 GLU A 22 19.908 26.943 -0.450 1.00 0.91 H new ATOM 0 HB3 GLU A 22 19.915 25.571 -1.541 1.00 0.91 H new ATOM 0 HG2 GLU A 22 19.313 28.441 -2.521 1.00 1.28 H new ATOM 0 HG3 GLU A 22 20.941 27.792 -2.504 1.00 1.28 H new ATOM 343 N GLU A 23 17.338 24.779 0.410 1.00 0.56 N ATOM 344 CA GLU A 23 16.806 23.456 0.852 1.00 0.49 C ATOM 345 C GLU A 23 15.357 23.382 0.256 1.00 0.45 C ATOM 346 O GLU A 23 15.000 22.472 -0.476 1.00 0.51 O ATOM 347 CB GLU A 23 16.890 23.510 2.422 1.00 0.42 C ATOM 348 CG GLU A 23 18.403 23.395 2.919 1.00 0.42 C ATOM 349 CD GLU A 23 18.629 23.485 4.452 1.00 0.43 C ATOM 350 OE1 GLU A 23 18.031 24.306 5.125 1.00 1.21 O ATOM 351 OE2 GLU A 23 19.440 22.706 4.925 1.00 1.48 O ATOM 0 H GLU A 23 17.623 25.398 1.169 1.00 0.56 H new ATOM 0 HA GLU A 23 17.333 22.561 0.522 1.00 0.49 H new ATOM 0 HB2 GLU A 23 16.456 24.443 2.781 1.00 0.42 H new ATOM 0 HB3 GLU A 23 16.301 22.699 2.849 1.00 0.42 H new ATOM 0 HG2 GLU A 23 18.808 22.446 2.568 1.00 0.42 H new ATOM 0 HG3 GLU A 23 18.982 24.185 2.440 1.00 0.42 H new ATOM 358 N MET A 24 14.588 24.390 0.611 1.00 0.42 N ATOM 359 CA MET A 24 13.165 24.517 0.137 1.00 0.47 C ATOM 360 C MET A 24 13.124 24.356 -1.396 1.00 0.40 C ATOM 361 O MET A 24 12.339 23.621 -1.950 1.00 0.40 O ATOM 362 CB MET A 24 12.670 25.937 0.479 1.00 0.81 C ATOM 363 CG MET A 24 12.546 26.153 1.988 1.00 0.71 C ATOM 364 SD MET A 24 11.739 27.700 2.460 1.00 1.63 S ATOM 365 CE MET A 24 10.060 27.183 2.021 1.00 0.88 C ATOM 0 H MET A 24 14.894 25.147 1.223 1.00 0.42 H new ATOM 0 HA MET A 24 12.544 23.757 0.612 1.00 0.47 H new ATOM 0 HB2 MET A 24 13.360 26.671 0.063 1.00 0.81 H new ATOM 0 HB3 MET A 24 11.702 26.107 0.008 1.00 0.81 H new ATOM 0 HG2 MET A 24 11.987 25.321 2.417 1.00 0.71 H new ATOM 0 HG3 MET A 24 13.543 26.129 2.429 1.00 0.71 H new ATOM 0 HE1 MET A 24 9.675 27.829 1.232 1.00 0.88 H new ATOM 0 HE2 MET A 24 10.077 26.151 1.670 1.00 0.88 H new ATOM 0 HE3 MET A 24 9.416 27.257 2.897 1.00 0.88 H new ATOM 375 N LEU A 25 13.998 25.082 -2.020 1.00 0.39 N ATOM 376 CA LEU A 25 14.190 25.129 -3.473 1.00 0.40 C ATOM 377 C LEU A 25 14.390 23.753 -4.044 1.00 0.40 C ATOM 378 O LEU A 25 13.692 23.346 -4.943 1.00 0.37 O ATOM 379 CB LEU A 25 15.364 25.976 -3.666 1.00 0.38 C ATOM 380 CG LEU A 25 15.052 27.471 -3.421 1.00 0.38 C ATOM 381 CD1 LEU A 25 15.347 28.091 -4.677 1.00 0.35 C ATOM 382 CD2 LEU A 25 13.665 27.883 -2.950 1.00 0.44 C ATOM 0 H LEU A 25 14.641 25.698 -1.522 1.00 0.39 H new ATOM 0 HA LEU A 25 13.318 25.527 -3.991 1.00 0.40 H new ATOM 0 HB2 LEU A 25 16.156 25.656 -2.989 1.00 0.38 H new ATOM 0 HB3 LEU A 25 15.741 25.847 -4.681 1.00 0.38 H new ATOM 0 HG LEU A 25 15.647 27.781 -2.562 1.00 0.38 H new ATOM 0 HD11 LEU A 25 15.157 29.162 -4.608 1.00 0.35 H new ATOM 0 HD12 LEU A 25 16.394 27.924 -4.928 1.00 0.35 H new ATOM 0 HD13 LEU A 25 14.715 27.660 -5.453 1.00 0.35 H new ATOM 0 HD21 LEU A 25 13.628 28.966 -2.831 1.00 0.44 H new ATOM 0 HD22 LEU A 25 12.924 27.573 -3.687 1.00 0.44 H new ATOM 0 HD23 LEU A 25 13.448 27.405 -1.994 1.00 0.44 H new ATOM 394 N PHE A 26 15.349 23.091 -3.479 1.00 0.43 N ATOM 395 CA PHE A 26 15.712 21.711 -3.885 1.00 0.44 C ATOM 396 C PHE A 26 14.456 20.861 -3.757 1.00 0.35 C ATOM 397 O PHE A 26 13.934 20.315 -4.707 1.00 0.23 O ATOM 398 CB PHE A 26 16.779 21.224 -2.906 1.00 0.58 C ATOM 399 CG PHE A 26 17.020 19.761 -3.239 1.00 0.39 C ATOM 400 CD1 PHE A 26 17.844 19.359 -4.267 1.00 1.35 C ATOM 401 CD2 PHE A 26 16.332 18.830 -2.508 1.00 0.83 C ATOM 402 CE1 PHE A 26 17.972 18.019 -4.564 1.00 1.15 C ATOM 403 CE2 PHE A 26 16.454 17.499 -2.802 1.00 1.02 C ATOM 404 CZ PHE A 26 17.272 17.091 -3.824 1.00 0.13 C ATOM 0 H PHE A 26 15.920 23.464 -2.721 1.00 0.43 H new ATOM 0 HA PHE A 26 16.092 21.657 -4.905 1.00 0.44 H new ATOM 0 HB2 PHE A 26 17.696 21.803 -3.009 1.00 0.58 H new ATOM 0 HB3 PHE A 26 16.444 21.339 -1.875 1.00 0.58 H new ATOM 0 HD1 PHE A 26 18.390 20.094 -4.840 1.00 1.35 H new ATOM 0 HD2 PHE A 26 15.692 19.147 -1.698 1.00 0.83 H new ATOM 0 HE1 PHE A 26 18.616 17.699 -5.370 1.00 1.15 H new ATOM 0 HE2 PHE A 26 15.904 16.768 -2.227 1.00 1.02 H new ATOM 0 HZ PHE A 26 17.368 16.039 -4.050 1.00 0.13 H new ATOM 414 N ILE A 27 14.006 20.792 -2.544 1.00 0.43 N ATOM 415 CA ILE A 27 12.777 20.012 -2.201 1.00 0.42 C ATOM 416 C ILE A 27 11.691 20.301 -3.235 1.00 0.28 C ATOM 417 O ILE A 27 11.303 19.443 -3.993 1.00 0.28 O ATOM 418 CB ILE A 27 12.445 20.509 -0.772 1.00 0.52 C ATOM 419 CG1 ILE A 27 12.792 19.467 0.302 1.00 0.50 C ATOM 420 CG2 ILE A 27 10.972 20.952 -0.494 1.00 0.67 C ATOM 421 CD1 ILE A 27 14.178 18.811 0.122 1.00 0.48 C ATOM 0 H ILE A 27 14.446 21.254 -1.748 1.00 0.43 H new ATOM 0 HA ILE A 27 12.886 18.928 -2.218 1.00 0.42 H new ATOM 0 HB ILE A 27 13.070 21.400 -0.715 1.00 0.52 H new ATOM 0 HG12 ILE A 27 12.753 19.944 1.281 1.00 0.50 H new ATOM 0 HG13 ILE A 27 12.030 18.688 0.296 1.00 0.50 H new ATOM 0 HG21 ILE A 27 10.879 21.276 0.543 1.00 0.67 H new ATOM 0 HG22 ILE A 27 10.709 21.776 -1.157 1.00 0.67 H new ATOM 0 HG23 ILE A 27 10.300 20.113 -0.673 1.00 0.67 H new ATOM 0 HD11 ILE A 27 14.345 18.088 0.921 1.00 0.48 H new ATOM 0 HD12 ILE A 27 14.218 18.303 -0.841 1.00 0.48 H new ATOM 0 HD13 ILE A 27 14.951 19.578 0.159 1.00 0.48 H new ATOM 433 N TYR A 28 11.259 21.523 -3.221 1.00 0.22 N ATOM 434 CA TYR A 28 10.208 22.054 -4.124 1.00 0.14 C ATOM 435 C TYR A 28 10.434 21.675 -5.570 1.00 0.13 C ATOM 436 O TYR A 28 9.617 21.004 -6.162 1.00 0.18 O ATOM 437 CB TYR A 28 10.300 23.581 -3.993 1.00 0.11 C ATOM 438 CG TYR A 28 9.484 24.312 -5.062 1.00 0.16 C ATOM 439 CD1 TYR A 28 8.101 24.329 -4.995 1.00 0.98 C ATOM 440 CD2 TYR A 28 10.135 24.976 -6.090 1.00 1.20 C ATOM 441 CE1 TYR A 28 7.361 25.017 -5.952 1.00 0.92 C ATOM 442 CE2 TYR A 28 9.369 25.654 -7.033 1.00 1.26 C ATOM 443 CZ TYR A 28 7.999 25.685 -6.977 1.00 0.33 C ATOM 444 OH TYR A 28 7.312 26.388 -7.956 1.00 0.47 O ATOM 0 H TYR A 28 11.619 22.223 -2.573 1.00 0.22 H new ATOM 0 HA TYR A 28 9.237 21.645 -3.846 1.00 0.14 H new ATOM 0 HB2 TYR A 28 9.949 23.879 -3.005 1.00 0.11 H new ATOM 0 HB3 TYR A 28 11.344 23.886 -4.066 1.00 0.11 H new ATOM 0 HD1 TYR A 28 7.595 23.806 -4.197 1.00 0.98 H new ATOM 0 HD2 TYR A 28 11.213 24.967 -6.157 1.00 1.20 H new ATOM 0 HE1 TYR A 28 6.283 25.028 -5.892 1.00 0.92 H new ATOM 0 HE2 TYR A 28 9.870 26.173 -7.836 1.00 1.26 H new ATOM 0 HH TYR A 28 6.985 25.765 -8.638 1.00 0.47 H new ATOM 454 N SER A 29 11.549 22.129 -6.061 1.00 0.10 N ATOM 455 CA SER A 29 11.971 21.893 -7.451 1.00 0.05 C ATOM 456 C SER A 29 11.735 20.434 -7.833 1.00 0.10 C ATOM 457 O SER A 29 10.999 20.086 -8.745 1.00 0.14 O ATOM 458 CB SER A 29 13.450 22.358 -7.549 1.00 0.08 C ATOM 459 OG SER A 29 14.246 21.477 -6.775 1.00 0.16 O ATOM 0 H SER A 29 12.213 22.682 -5.519 1.00 0.10 H new ATOM 0 HA SER A 29 11.386 22.461 -8.174 1.00 0.05 H new ATOM 0 HB2 SER A 29 13.781 22.355 -8.588 1.00 0.08 H new ATOM 0 HB3 SER A 29 13.551 23.380 -7.185 1.00 0.08 H new ATOM 0 HG SER A 29 13.894 21.435 -5.861 1.00 0.16 H new ATOM 465 N HIS A 30 12.390 19.616 -7.067 1.00 0.11 N ATOM 466 CA HIS A 30 12.301 18.164 -7.260 1.00 0.17 C ATOM 467 C HIS A 30 10.865 17.652 -7.068 1.00 0.19 C ATOM 468 O HIS A 30 10.356 17.044 -7.980 1.00 0.19 O ATOM 469 CB HIS A 30 13.288 17.594 -6.247 1.00 0.19 C ATOM 470 CG HIS A 30 14.701 17.818 -6.770 1.00 0.19 C ATOM 471 ND1 HIS A 30 15.273 18.956 -6.960 1.00 0.93 N ATOM 472 CD2 HIS A 30 15.647 16.893 -7.151 1.00 0.58 C ATOM 473 CE1 HIS A 30 16.472 18.764 -7.421 1.00 0.69 C ATOM 474 NE2 HIS A 30 16.747 17.494 -7.555 1.00 0.24 N ATOM 0 H HIS A 30 12.995 19.908 -6.300 1.00 0.11 H new ATOM 0 HA HIS A 30 12.551 17.853 -8.274 1.00 0.17 H new ATOM 0 HB2 HIS A 30 13.161 18.080 -5.280 1.00 0.19 H new ATOM 0 HB3 HIS A 30 13.104 16.530 -6.096 1.00 0.19 H new ATOM 0 HD1 HIS A 30 14.850 19.866 -6.777 1.00 0.93 H new ATOM 0 HD2 HIS A 30 15.506 15.823 -7.122 1.00 0.58 H new ATOM 0 HE1 HIS A 30 17.160 19.560 -7.665 1.00 0.69 H new ATOM 482 N TYR A 31 10.237 17.893 -5.937 1.00 0.25 N ATOM 483 CA TYR A 31 8.833 17.409 -5.706 1.00 0.25 C ATOM 484 C TYR A 31 8.001 17.796 -6.900 1.00 0.28 C ATOM 485 O TYR A 31 7.501 16.957 -7.616 1.00 0.26 O ATOM 486 CB TYR A 31 8.120 18.186 -4.555 1.00 0.32 C ATOM 487 CG TYR A 31 6.734 17.573 -4.233 1.00 0.32 C ATOM 488 CD1 TYR A 31 6.624 16.398 -3.514 1.00 1.79 C ATOM 489 CD2 TYR A 31 5.570 18.193 -4.649 1.00 1.34 C ATOM 490 CE1 TYR A 31 5.402 15.852 -3.205 1.00 1.78 C ATOM 491 CE2 TYR A 31 4.331 17.637 -4.328 1.00 1.34 C ATOM 492 CZ TYR A 31 4.249 16.464 -3.604 1.00 0.32 C ATOM 493 OH TYR A 31 3.045 15.894 -3.259 1.00 0.33 O ATOM 0 H TYR A 31 10.642 18.410 -5.156 1.00 0.25 H new ATOM 0 HA TYR A 31 8.907 16.342 -5.499 1.00 0.25 H new ATOM 0 HB2 TYR A 31 8.744 18.168 -3.661 1.00 0.32 H new ATOM 0 HB3 TYR A 31 8.000 19.231 -4.840 1.00 0.32 H new ATOM 0 HD1 TYR A 31 7.522 15.896 -3.186 1.00 1.79 H new ATOM 0 HD2 TYR A 31 5.620 19.107 -5.222 1.00 1.34 H new ATOM 0 HE1 TYR A 31 5.353 14.932 -2.642 1.00 1.78 H new ATOM 0 HE2 TYR A 31 3.425 18.130 -4.650 1.00 1.34 H new ATOM 0 HH TYR A 31 3.184 14.953 -3.022 1.00 0.33 H new ATOM 503 N LYS A 32 7.892 19.088 -7.070 1.00 0.36 N ATOM 504 CA LYS A 32 7.104 19.640 -8.185 1.00 0.44 C ATOM 505 C LYS A 32 7.421 18.844 -9.461 1.00 0.42 C ATOM 506 O LYS A 32 6.508 18.439 -10.148 1.00 0.46 O ATOM 507 CB LYS A 32 7.403 21.096 -8.122 1.00 0.48 C ATOM 508 CG LYS A 32 6.952 21.779 -6.784 1.00 0.54 C ATOM 509 CD LYS A 32 5.443 21.645 -6.466 1.00 0.68 C ATOM 510 CE LYS A 32 4.644 22.372 -7.486 1.00 0.30 C ATOM 511 NZ LYS A 32 3.197 22.291 -7.084 1.00 0.73 N ATOM 0 H LYS A 32 8.327 19.786 -6.467 1.00 0.36 H new ATOM 0 HA LYS A 32 6.019 19.541 -8.150 1.00 0.44 H new ATOM 0 HB2 LYS A 32 8.475 21.243 -8.250 1.00 0.48 H new ATOM 0 HB3 LYS A 32 6.911 21.595 -8.957 1.00 0.48 H new ATOM 0 HG2 LYS A 32 7.522 21.348 -5.961 1.00 0.54 H new ATOM 0 HG3 LYS A 32 7.207 22.838 -6.828 1.00 0.54 H new ATOM 0 HD2 LYS A 32 5.158 20.593 -6.450 1.00 0.68 H new ATOM 0 HD3 LYS A 32 5.235 22.047 -5.474 1.00 0.68 H new ATOM 0 HE2 LYS A 32 4.964 23.412 -7.551 1.00 0.30 H new ATOM 0 HE3 LYS A 32 4.791 21.931 -8.472 1.00 0.30 H new ATOM 0 HZ1 LYS A 32 2.614 22.794 -7.783 1.00 0.73 H new ATOM 0 HZ2 LYS A 32 2.904 21.294 -7.041 1.00 0.73 H new ATOM 0 HZ3 LYS A 32 3.071 22.729 -6.149 1.00 0.73 H new ATOM 525 N GLN A 33 8.677 18.637 -9.754 1.00 0.39 N ATOM 526 CA GLN A 33 9.018 17.846 -10.986 1.00 0.40 C ATOM 527 C GLN A 33 8.513 16.403 -10.915 1.00 0.34 C ATOM 528 O GLN A 33 7.783 15.949 -11.769 1.00 0.44 O ATOM 529 CB GLN A 33 10.532 17.817 -11.091 1.00 0.38 C ATOM 530 CG GLN A 33 10.929 18.871 -12.073 1.00 0.64 C ATOM 531 CD GLN A 33 10.738 18.401 -13.481 1.00 0.55 C ATOM 532 OE1 GLN A 33 11.513 17.616 -13.954 1.00 0.47 O ATOM 533 NE2 GLN A 33 9.769 18.807 -14.220 1.00 0.87 N ATOM 0 H GLN A 33 9.472 18.971 -9.210 1.00 0.39 H new ATOM 0 HA GLN A 33 8.542 18.317 -11.846 1.00 0.40 H new ATOM 0 HB2 GLN A 33 10.988 18.006 -10.119 1.00 0.38 H new ATOM 0 HB3 GLN A 33 10.876 16.836 -11.420 1.00 0.38 H new ATOM 0 HG2 GLN A 33 10.337 19.770 -11.904 1.00 0.64 H new ATOM 0 HG3 GLN A 33 11.973 19.143 -11.916 1.00 0.64 H new ATOM 0 HE21 GLN A 33 9.091 19.474 -13.851 1.00 0.87 H new ATOM 0 HE22 GLN A 33 9.677 18.462 -15.176 1.00 0.87 H new ATOM 542 N ALA A 34 8.930 15.740 -9.882 1.00 0.18 N ATOM 543 CA ALA A 34 8.571 14.326 -9.601 1.00 0.10 C ATOM 544 C ALA A 34 7.058 14.042 -9.683 1.00 0.10 C ATOM 545 O ALA A 34 6.636 13.005 -10.151 1.00 0.05 O ATOM 546 CB ALA A 34 9.006 14.123 -8.144 1.00 0.08 C ATOM 0 H ALA A 34 9.544 16.147 -9.177 1.00 0.18 H new ATOM 0 HA ALA A 34 9.043 13.669 -10.332 1.00 0.10 H new ATOM 0 HB1 ALA A 34 8.782 13.101 -7.837 1.00 0.08 H new ATOM 0 HB2 ALA A 34 10.078 14.302 -8.056 1.00 0.08 H new ATOM 0 HB3 ALA A 34 8.467 14.821 -7.503 1.00 0.08 H new ATOM 552 N THR A 35 6.311 14.999 -9.208 1.00 0.17 N ATOM 553 CA THR A 35 4.796 14.943 -9.161 1.00 0.20 C ATOM 554 C THR A 35 3.948 15.582 -10.258 1.00 0.28 C ATOM 555 O THR A 35 3.142 14.924 -10.882 1.00 0.29 O ATOM 556 CB THR A 35 4.373 15.709 -7.888 1.00 0.24 C ATOM 557 OG1 THR A 35 4.939 17.004 -8.029 1.00 0.25 O ATOM 558 CG2 THR A 35 5.106 15.208 -6.673 1.00 0.23 C ATOM 0 H THR A 35 6.696 15.864 -8.829 1.00 0.17 H new ATOM 0 HA THR A 35 4.605 13.873 -9.245 1.00 0.20 H new ATOM 0 HB THR A 35 3.291 15.632 -7.780 1.00 0.24 H new ATOM 0 HG1 THR A 35 5.798 17.039 -7.558 1.00 0.25 H new ATOM 0 HG21 THR A 35 4.783 15.769 -5.796 1.00 0.23 H new ATOM 0 HG22 THR A 35 4.888 14.150 -6.527 1.00 0.23 H new ATOM 0 HG23 THR A 35 6.179 15.341 -6.815 1.00 0.23 H new ATOM 566 N VAL A 36 4.164 16.848 -10.440 1.00 0.35 N ATOM 567 CA VAL A 36 3.448 17.699 -11.459 1.00 0.45 C ATOM 568 C VAL A 36 4.137 17.560 -12.801 1.00 0.44 C ATOM 569 O VAL A 36 3.570 17.263 -13.834 1.00 0.42 O ATOM 570 CB VAL A 36 3.669 19.200 -11.015 1.00 0.53 C ATOM 571 CG1 VAL A 36 3.058 20.215 -11.990 1.00 0.57 C ATOM 572 CG2 VAL A 36 3.149 19.428 -9.616 1.00 0.55 C ATOM 0 H VAL A 36 4.849 17.370 -9.894 1.00 0.35 H new ATOM 0 HA VAL A 36 2.399 17.411 -11.528 1.00 0.45 H new ATOM 0 HB VAL A 36 4.746 19.367 -11.028 1.00 0.53 H new ATOM 0 HG11 VAL A 36 3.245 21.226 -11.627 1.00 0.57 H new ATOM 0 HG12 VAL A 36 3.511 20.093 -12.974 1.00 0.57 H new ATOM 0 HG13 VAL A 36 1.983 20.048 -12.063 1.00 0.57 H new ATOM 0 HG21 VAL A 36 3.312 20.468 -9.332 1.00 0.55 H new ATOM 0 HG22 VAL A 36 2.082 19.206 -9.584 1.00 0.55 H new ATOM 0 HG23 VAL A 36 3.677 18.775 -8.921 1.00 0.55 H new ATOM 582 N GLY A 37 5.404 17.804 -12.668 1.00 0.46 N ATOM 583 CA GLY A 37 6.345 17.749 -13.819 1.00 0.48 C ATOM 584 C GLY A 37 7.034 19.089 -14.027 1.00 0.56 C ATOM 585 O GLY A 37 7.447 19.788 -13.113 1.00 0.57 O ATOM 0 H GLY A 37 5.843 18.048 -11.780 1.00 0.46 H new ATOM 0 HA2 GLY A 37 7.093 16.975 -13.645 1.00 0.48 H new ATOM 0 HA3 GLY A 37 5.803 17.471 -14.723 1.00 0.48 H new ATOM 589 N ASP A 38 7.140 19.372 -15.292 1.00 0.61 N ATOM 590 CA ASP A 38 7.755 20.597 -15.832 1.00 0.68 C ATOM 591 C ASP A 38 7.004 21.882 -15.384 1.00 0.73 C ATOM 592 O ASP A 38 5.872 22.129 -15.742 1.00 0.75 O ATOM 593 CB ASP A 38 7.758 20.294 -17.372 1.00 0.67 C ATOM 594 CG ASP A 38 8.869 19.284 -17.759 1.00 0.57 C ATOM 595 OD1 ASP A 38 9.196 18.442 -16.943 1.00 1.07 O ATOM 596 OD2 ASP A 38 9.328 19.436 -18.871 1.00 0.95 O ATOM 0 H ASP A 38 6.795 18.747 -16.021 1.00 0.61 H new ATOM 0 HA ASP A 38 8.758 20.818 -15.468 1.00 0.68 H new ATOM 0 HB2 ASP A 38 6.787 19.896 -17.666 1.00 0.67 H new ATOM 0 HB3 ASP A 38 7.902 21.222 -17.925 1.00 0.67 H new ATOM 601 N ILE A 39 7.699 22.642 -14.573 1.00 0.80 N ATOM 602 CA ILE A 39 7.219 23.951 -13.986 1.00 0.84 C ATOM 603 C ILE A 39 5.973 24.661 -14.606 1.00 1.15 C ATOM 604 O ILE A 39 6.068 25.334 -15.608 1.00 1.22 O ATOM 605 CB ILE A 39 8.460 24.775 -13.657 1.00 0.71 C ATOM 606 CG1 ILE A 39 8.006 25.870 -12.693 1.00 0.65 C ATOM 607 CG2 ILE A 39 9.257 25.322 -14.877 1.00 0.70 C ATOM 608 CD1 ILE A 39 9.247 26.380 -12.055 1.00 0.44 C ATOM 0 H ILE A 39 8.642 22.396 -14.272 1.00 0.80 H new ATOM 0 HA ILE A 39 6.679 23.741 -13.063 1.00 0.84 H new ATOM 0 HB ILE A 39 9.202 24.120 -13.200 1.00 0.71 H new ATOM 0 HG12 ILE A 39 7.482 26.666 -13.222 1.00 0.65 H new ATOM 0 HG13 ILE A 39 7.316 25.475 -11.948 1.00 0.65 H new ATOM 0 HG21 ILE A 39 10.117 25.891 -14.524 1.00 0.70 H new ATOM 0 HG22 ILE A 39 9.600 24.489 -15.490 1.00 0.70 H new ATOM 0 HG23 ILE A 39 8.613 25.969 -15.472 1.00 0.70 H new ATOM 0 HD11 ILE A 39 8.994 27.171 -11.349 1.00 0.44 H new ATOM 0 HD12 ILE A 39 9.745 25.567 -11.526 1.00 0.44 H new ATOM 0 HD13 ILE A 39 9.913 26.777 -12.821 1.00 0.44 H new ATOM 620 N ASN A 40 4.844 24.470 -13.955 1.00 1.33 N ATOM 621 CA ASN A 40 3.506 25.047 -14.364 1.00 1.62 C ATOM 622 C ASN A 40 2.914 26.059 -13.345 1.00 1.74 C ATOM 623 O ASN A 40 1.730 26.115 -13.081 1.00 1.97 O ATOM 624 CB ASN A 40 2.509 23.853 -14.500 1.00 1.75 C ATOM 625 CG ASN A 40 2.739 23.107 -15.793 1.00 0.97 C ATOM 626 OD1 ASN A 40 2.591 23.631 -16.871 1.00 1.90 O ATOM 627 ND2 ASN A 40 3.104 21.876 -15.751 1.00 0.37 N ATOM 0 H ASN A 40 4.791 23.905 -13.107 1.00 1.33 H new ATOM 0 HA ASN A 40 3.656 25.595 -15.294 1.00 1.62 H new ATOM 0 HB2 ASN A 40 2.631 23.174 -13.656 1.00 1.75 H new ATOM 0 HB3 ASN A 40 1.484 24.223 -14.466 1.00 1.75 H new ATOM 0 HD21 ASN A 40 3.263 21.361 -16.617 1.00 0.37 H new ATOM 0 HD22 ASN A 40 3.235 21.413 -14.851 1.00 0.37 H new ATOM 634 N THR A 41 3.800 26.829 -12.793 1.00 1.61 N ATOM 635 CA THR A 41 3.417 27.891 -11.776 1.00 1.72 C ATOM 636 C THR A 41 3.760 29.282 -12.283 1.00 1.92 C ATOM 637 O THR A 41 2.988 30.212 -12.181 1.00 3.12 O ATOM 638 CB THR A 41 4.223 27.738 -10.474 1.00 1.60 C ATOM 639 OG1 THR A 41 5.589 27.723 -10.874 1.00 1.36 O ATOM 640 CG2 THR A 41 4.108 26.361 -9.944 1.00 1.45 C ATOM 0 H THR A 41 4.799 26.782 -12.995 1.00 1.61 H new ATOM 0 HA THR A 41 2.347 27.766 -11.608 1.00 1.72 H new ATOM 0 HB THR A 41 3.896 28.506 -9.773 1.00 1.60 H new ATOM 0 HG1 THR A 41 6.160 27.629 -10.083 1.00 1.36 H new ATOM 0 HG21 THR A 41 4.686 26.276 -9.024 1.00 1.45 H new ATOM 0 HG22 THR A 41 3.061 26.137 -9.738 1.00 1.45 H new ATOM 0 HG23 THR A 41 4.492 25.655 -10.680 1.00 1.45 H new ATOM 648 N GLU A 42 4.960 29.277 -12.778 1.00 0.85 N ATOM 649 CA GLU A 42 5.702 30.421 -13.385 1.00 0.71 C ATOM 650 C GLU A 42 6.498 31.227 -12.393 1.00 0.89 C ATOM 651 O GLU A 42 6.166 31.323 -11.233 1.00 0.97 O ATOM 652 CB GLU A 42 4.837 31.336 -14.185 1.00 0.33 C ATOM 653 CG GLU A 42 4.654 30.658 -15.548 1.00 1.48 C ATOM 654 CD GLU A 42 3.706 31.432 -16.488 1.00 1.95 C ATOM 655 OE1 GLU A 42 4.082 32.537 -16.839 1.00 1.86 O ATOM 656 OE2 GLU A 42 2.665 30.889 -16.809 1.00 2.72 O ATOM 0 H GLU A 42 5.518 28.423 -12.785 1.00 0.85 H new ATOM 0 HA GLU A 42 6.403 29.932 -14.062 1.00 0.71 H new ATOM 0 HB2 GLU A 42 3.876 31.493 -13.695 1.00 0.33 H new ATOM 0 HB3 GLU A 42 5.302 32.316 -14.296 1.00 0.33 H new ATOM 0 HG2 GLU A 42 5.627 30.554 -16.029 1.00 1.48 H new ATOM 0 HG3 GLU A 42 4.264 29.652 -15.397 1.00 1.48 H new ATOM 663 N ARG A 43 7.537 31.787 -12.934 1.00 0.99 N ATOM 664 CA ARG A 43 8.486 32.638 -12.159 1.00 1.17 C ATOM 665 C ARG A 43 7.636 33.811 -11.571 1.00 1.47 C ATOM 666 O ARG A 43 7.372 34.748 -12.298 1.00 1.53 O ATOM 667 CB ARG A 43 9.550 32.944 -13.199 1.00 1.23 C ATOM 668 CG ARG A 43 10.840 33.251 -12.459 1.00 1.24 C ATOM 669 CD ARG A 43 11.962 33.255 -13.458 1.00 1.19 C ATOM 670 NE ARG A 43 13.255 33.441 -12.723 1.00 1.13 N ATOM 671 CZ ARG A 43 14.210 34.109 -13.230 1.00 0.64 C ATOM 672 NH1 ARG A 43 14.022 35.338 -13.457 1.00 1.37 N ATOM 673 NH2 ARG A 43 15.271 33.451 -13.464 1.00 1.34 N ATOM 0 H ARG A 43 7.780 31.688 -13.920 1.00 0.99 H new ATOM 0 HA ARG A 43 8.993 32.234 -11.283 1.00 1.17 H new ATOM 0 HB2 ARG A 43 9.686 32.095 -13.869 1.00 1.23 H new ATOM 0 HB3 ARG A 43 9.251 33.792 -13.815 1.00 1.23 H new ATOM 0 HG2 ARG A 43 10.772 34.218 -11.960 1.00 1.24 H new ATOM 0 HG3 ARG A 43 11.022 32.505 -11.685 1.00 1.24 H new ATOM 0 HD2 ARG A 43 11.975 32.319 -14.016 1.00 1.19 H new ATOM 0 HD3 ARG A 43 11.820 34.056 -14.183 1.00 1.19 H new ATOM 0 HE ARG A 43 13.371 33.024 -11.799 1.00 1.13 H new ATOM 0 HH11 ARG A 43 13.124 35.766 -13.234 1.00 1.37 H new ATOM 0 HH12 ARG A 43 14.769 35.902 -13.863 1.00 1.37 H new ATOM 0 HH21 ARG A 43 15.313 32.456 -13.245 1.00 1.34 H new ATOM 0 HH22 ARG A 43 16.081 33.918 -13.871 1.00 1.34 H new ATOM 805 N LYS A 52 10.727 33.500 -7.168 1.00 0.22 N ATOM 806 CA LYS A 52 11.529 33.381 -8.416 1.00 0.39 C ATOM 807 C LYS A 52 12.540 32.290 -8.129 1.00 0.43 C ATOM 808 O LYS A 52 12.843 31.496 -8.976 1.00 0.65 O ATOM 809 CB LYS A 52 12.329 34.683 -8.584 1.00 0.38 C ATOM 810 CG LYS A 52 11.967 35.424 -9.880 1.00 1.40 C ATOM 811 CD LYS A 52 10.487 35.896 -9.837 1.00 2.99 C ATOM 812 CE LYS A 52 10.143 36.717 -11.082 1.00 4.31 C ATOM 813 NZ LYS A 52 8.724 37.136 -10.983 1.00 5.40 N ATOM 0 HA LYS A 52 10.911 33.184 -9.292 1.00 0.39 H new ATOM 0 HB2 LYS A 52 12.142 35.335 -7.731 1.00 0.38 H new ATOM 0 HB3 LYS A 52 13.395 34.455 -8.584 1.00 0.38 H new ATOM 0 HG2 LYS A 52 12.626 36.282 -10.012 1.00 1.40 H new ATOM 0 HG3 LYS A 52 12.122 34.768 -10.737 1.00 1.40 H new ATOM 0 HD2 LYS A 52 9.826 35.031 -9.772 1.00 2.99 H new ATOM 0 HD3 LYS A 52 10.317 36.495 -8.942 1.00 2.99 H new ATOM 0 HE2 LYS A 52 10.793 37.589 -11.154 1.00 4.31 H new ATOM 0 HE3 LYS A 52 10.303 36.126 -11.984 1.00 4.31 H new ATOM 0 HZ1 LYS A 52 8.588 38.027 -11.502 1.00 5.40 H new ATOM 0 HZ2 LYS A 52 8.115 36.400 -11.394 1.00 5.40 H new ATOM 0 HZ3 LYS A 52 8.472 37.276 -9.984 1.00 5.40 H new ATOM 827 N ALA A 53 13.040 32.302 -6.923 1.00 0.34 N ATOM 828 CA ALA A 53 14.044 31.292 -6.468 1.00 0.34 C ATOM 829 C ALA A 53 13.428 29.871 -6.539 1.00 0.24 C ATOM 830 O ALA A 53 13.903 29.033 -7.280 1.00 0.21 O ATOM 831 CB ALA A 53 14.378 31.704 -5.044 1.00 0.42 C ATOM 0 H ALA A 53 12.788 32.989 -6.213 1.00 0.34 H new ATOM 0 HA ALA A 53 14.940 31.260 -7.088 1.00 0.34 H new ATOM 0 HB1 ALA A 53 15.112 31.014 -4.628 1.00 0.42 H new ATOM 0 HB2 ALA A 53 14.788 32.714 -5.044 1.00 0.42 H new ATOM 0 HB3 ALA A 53 13.473 31.680 -4.437 1.00 0.42 H new ATOM 837 N LYS A 54 12.396 29.613 -5.764 1.00 0.24 N ATOM 838 CA LYS A 54 11.735 28.260 -5.791 1.00 0.33 C ATOM 839 C LYS A 54 11.551 27.854 -7.241 1.00 0.33 C ATOM 840 O LYS A 54 11.919 26.785 -7.693 1.00 0.38 O ATOM 841 CB LYS A 54 10.287 28.330 -5.149 1.00 0.36 C ATOM 842 CG LYS A 54 10.263 28.153 -3.610 1.00 0.45 C ATOM 843 CD LYS A 54 10.718 29.448 -2.931 1.00 1.13 C ATOM 844 CE LYS A 54 10.814 29.245 -1.422 1.00 1.10 C ATOM 845 NZ LYS A 54 10.801 30.582 -0.758 1.00 1.53 N ATOM 0 H LYS A 54 11.982 30.280 -5.113 1.00 0.24 H new ATOM 0 HA LYS A 54 12.356 27.557 -5.236 1.00 0.33 H new ATOM 0 HB2 LYS A 54 9.837 29.291 -5.400 1.00 0.36 H new ATOM 0 HB3 LYS A 54 9.664 27.559 -5.602 1.00 0.36 H new ATOM 0 HG2 LYS A 54 9.257 27.893 -3.280 1.00 0.45 H new ATOM 0 HG3 LYS A 54 10.916 27.330 -3.319 1.00 0.45 H new ATOM 0 HD2 LYS A 54 11.686 29.754 -3.327 1.00 1.13 H new ATOM 0 HD3 LYS A 54 10.015 30.251 -3.153 1.00 1.13 H new ATOM 0 HE2 LYS A 54 9.980 28.639 -1.068 1.00 1.10 H new ATOM 0 HE3 LYS A 54 11.728 28.707 -1.170 1.00 1.10 H new ATOM 0 HZ1 LYS A 54 10.194 30.545 0.086 1.00 1.53 H new ATOM 0 HZ2 LYS A 54 11.769 30.840 -0.477 1.00 1.53 H new ATOM 0 HZ3 LYS A 54 10.431 31.294 -1.419 1.00 1.53 H new ATOM 859 N TRP A 55 10.975 28.819 -7.902 1.00 0.33 N ATOM 860 CA TRP A 55 10.650 28.728 -9.321 1.00 0.33 C ATOM 861 C TRP A 55 11.814 28.247 -10.136 1.00 0.25 C ATOM 862 O TRP A 55 11.772 27.224 -10.774 1.00 0.24 O ATOM 863 CB TRP A 55 10.242 30.127 -9.791 1.00 0.42 C ATOM 864 CG TRP A 55 9.699 29.821 -11.141 1.00 0.45 C ATOM 865 CD1 TRP A 55 8.423 29.480 -11.291 1.00 0.51 C ATOM 866 CD2 TRP A 55 10.354 29.767 -12.322 1.00 0.43 C ATOM 867 NE1 TRP A 55 8.372 29.229 -12.562 1.00 0.52 N ATOM 868 CE2 TRP A 55 9.460 29.367 -13.270 1.00 0.47 C ATOM 869 CE3 TRP A 55 11.642 30.019 -12.723 1.00 0.39 C ATOM 870 CZ2 TRP A 55 9.786 29.205 -14.582 1.00 0.48 C ATOM 871 CZ3 TRP A 55 11.997 29.864 -14.041 1.00 0.42 C ATOM 872 CH2 TRP A 55 11.075 29.458 -14.987 1.00 0.47 C ATOM 0 H TRP A 55 10.710 29.707 -7.476 1.00 0.33 H new ATOM 0 HA TRP A 55 9.844 28.007 -9.456 1.00 0.33 H new ATOM 0 HB2 TRP A 55 9.496 30.581 -9.139 1.00 0.42 H new ATOM 0 HB3 TRP A 55 11.089 30.812 -9.832 1.00 0.42 H new ATOM 0 HD1 TRP A 55 7.638 29.426 -10.551 1.00 0.51 H new ATOM 0 HE1 TRP A 55 7.500 28.930 -12.999 1.00 0.52 H new ATOM 0 HE3 TRP A 55 12.378 30.340 -12.001 1.00 0.39 H new ATOM 0 HZ2 TRP A 55 9.042 28.882 -15.295 1.00 0.48 H new ATOM 0 HZ3 TRP A 55 13.015 30.063 -14.343 1.00 0.42 H new ATOM 0 HH2 TRP A 55 11.361 29.342 -16.022 1.00 0.47 H new ATOM 883 N ASP A 56 12.817 29.046 -10.063 1.00 0.19 N ATOM 884 CA ASP A 56 14.074 28.762 -10.793 1.00 0.14 C ATOM 885 C ASP A 56 14.591 27.382 -10.412 1.00 0.10 C ATOM 886 O ASP A 56 14.890 26.592 -11.290 1.00 0.09 O ATOM 887 CB ASP A 56 14.995 29.906 -10.493 1.00 0.15 C ATOM 888 CG ASP A 56 14.877 31.012 -11.521 1.00 0.11 C ATOM 889 OD1 ASP A 56 14.778 30.741 -12.702 1.00 0.98 O ATOM 890 OD2 ASP A 56 14.894 32.140 -11.078 1.00 1.18 O ATOM 0 H ASP A 56 12.827 29.907 -9.517 1.00 0.19 H new ATOM 0 HA ASP A 56 13.953 28.707 -11.875 1.00 0.14 H new ATOM 0 HB2 ASP A 56 14.769 30.304 -9.504 1.00 0.15 H new ATOM 0 HB3 ASP A 56 16.023 29.546 -10.464 1.00 0.15 H new ATOM 895 N ALA A 57 14.683 27.119 -9.134 1.00 0.10 N ATOM 896 CA ALA A 57 15.173 25.788 -8.706 1.00 0.03 C ATOM 897 C ALA A 57 14.384 24.683 -9.454 1.00 0.05 C ATOM 898 O ALA A 57 14.940 23.772 -10.024 1.00 0.13 O ATOM 899 CB ALA A 57 15.003 25.745 -7.209 1.00 0.08 C ATOM 0 H ALA A 57 14.442 27.764 -8.381 1.00 0.10 H new ATOM 0 HA ALA A 57 16.221 25.615 -8.950 1.00 0.03 H new ATOM 0 HB1 ALA A 57 15.349 24.783 -6.831 1.00 0.08 H new ATOM 0 HB2 ALA A 57 15.587 26.545 -6.753 1.00 0.08 H new ATOM 0 HB3 ALA A 57 13.950 25.876 -6.958 1.00 0.08 H new ATOM 905 N TRP A 58 13.086 24.765 -9.441 1.00 0.08 N ATOM 906 CA TRP A 58 12.237 23.749 -10.143 1.00 0.11 C ATOM 907 C TRP A 58 12.439 23.837 -11.652 1.00 0.21 C ATOM 908 O TRP A 58 12.707 22.855 -12.313 1.00 0.27 O ATOM 909 CB TRP A 58 10.794 24.047 -9.792 1.00 0.18 C ATOM 910 CG TRP A 58 9.840 23.053 -10.498 1.00 0.27 C ATOM 911 CD1 TRP A 58 10.131 21.959 -11.274 1.00 0.29 C ATOM 912 CD2 TRP A 58 8.514 23.186 -10.440 1.00 0.37 C ATOM 913 NE1 TRP A 58 8.911 21.543 -11.614 1.00 0.39 N ATOM 914 CE2 TRP A 58 7.881 22.219 -11.159 1.00 0.45 C ATOM 915 CE3 TRP A 58 7.808 24.124 -9.763 1.00 0.43 C ATOM 916 CZ2 TRP A 58 6.503 22.185 -11.218 1.00 0.59 C ATOM 917 CZ3 TRP A 58 6.443 24.106 -9.804 1.00 0.56 C ATOM 918 CH2 TRP A 58 5.780 23.142 -10.533 1.00 0.64 C ATOM 0 H TRP A 58 12.563 25.502 -8.968 1.00 0.08 H new ATOM 0 HA TRP A 58 12.511 22.741 -9.830 1.00 0.11 H new ATOM 0 HB2 TRP A 58 10.657 23.985 -8.712 1.00 0.18 H new ATOM 0 HB3 TRP A 58 10.547 25.067 -10.086 1.00 0.18 H new ATOM 0 HD1 TRP A 58 11.093 21.545 -11.539 1.00 0.29 H new ATOM 0 HE1 TRP A 58 8.781 20.725 -12.209 1.00 0.39 H new ATOM 0 HE3 TRP A 58 8.323 24.883 -9.193 1.00 0.43 H new ATOM 0 HZ2 TRP A 58 5.997 21.422 -11.791 1.00 0.59 H new ATOM 0 HZ3 TRP A 58 5.880 24.851 -9.262 1.00 0.56 H new ATOM 0 HH2 TRP A 58 4.701 23.135 -10.568 1.00 0.64 H new ATOM 929 N ASN A 59 12.305 25.007 -12.190 1.00 0.24 N ATOM 930 CA ASN A 59 12.478 25.215 -13.650 1.00 0.35 C ATOM 931 C ASN A 59 13.764 24.538 -14.132 1.00 0.37 C ATOM 932 O ASN A 59 13.764 23.921 -15.180 1.00 0.45 O ATOM 933 CB ASN A 59 12.448 26.713 -13.804 1.00 0.40 C ATOM 934 CG ASN A 59 13.220 27.199 -14.986 1.00 0.36 C ATOM 935 OD1 ASN A 59 14.038 28.134 -14.690 1.00 0.27 O flip ATOM 936 ND2 ASN A 59 13.102 26.772 -16.114 1.00 0.45 N flip ATOM 0 H ASN A 59 12.077 25.852 -11.667 1.00 0.24 H new ATOM 0 HA ASN A 59 11.706 24.762 -14.272 1.00 0.35 H new ATOM 0 HB2 ASN A 59 11.413 27.042 -13.894 1.00 0.40 H new ATOM 0 HB3 ASN A 59 12.851 27.173 -12.901 1.00 0.40 H new ATOM 0 HD21 ASN A 59 12.437 26.024 -16.309 1.00 0.45 H new ATOM 0 HD22 ASN A 59 13.668 27.161 -16.868 1.00 0.45 H new ATOM 943 N GLU A 60 14.778 24.703 -13.330 1.00 0.34 N ATOM 944 CA GLU A 60 16.123 24.127 -13.582 1.00 0.37 C ATOM 945 C GLU A 60 15.989 22.662 -13.975 1.00 0.43 C ATOM 946 O GLU A 60 16.648 22.161 -14.859 1.00 0.63 O ATOM 947 CB GLU A 60 16.918 24.215 -12.275 1.00 0.28 C ATOM 948 CG GLU A 60 18.408 23.891 -12.590 1.00 0.45 C ATOM 949 CD GLU A 60 19.220 23.484 -11.359 1.00 1.12 C ATOM 950 OE1 GLU A 60 18.656 22.814 -10.509 1.00 2.26 O ATOM 951 OE2 GLU A 60 20.371 23.873 -11.369 1.00 1.22 O ATOM 0 H GLU A 60 14.721 25.243 -12.466 1.00 0.34 H new ATOM 0 HA GLU A 60 16.622 24.670 -14.385 1.00 0.37 H new ATOM 0 HB2 GLU A 60 16.829 25.211 -11.842 1.00 0.28 H new ATOM 0 HB3 GLU A 60 16.523 23.512 -11.542 1.00 0.28 H new ATOM 0 HG2 GLU A 60 18.449 23.086 -13.324 1.00 0.45 H new ATOM 0 HG3 GLU A 60 18.872 24.764 -13.048 1.00 0.45 H new ATOM 958 N LEU A 61 15.093 22.041 -13.265 1.00 0.29 N ATOM 959 CA LEU A 61 14.770 20.607 -13.444 1.00 0.30 C ATOM 960 C LEU A 61 13.891 20.272 -14.608 1.00 0.42 C ATOM 961 O LEU A 61 14.211 19.396 -15.390 1.00 0.43 O ATOM 962 CB LEU A 61 13.969 20.226 -12.290 1.00 0.22 C ATOM 963 CG LEU A 61 14.631 20.619 -11.024 1.00 0.10 C ATOM 964 CD1 LEU A 61 13.795 20.017 -10.039 1.00 0.08 C ATOM 965 CD2 LEU A 61 16.005 20.070 -10.959 1.00 0.16 C ATOM 0 H LEU A 61 14.547 22.496 -12.533 1.00 0.29 H new ATOM 0 HA LEU A 61 15.727 20.105 -13.585 1.00 0.30 H new ATOM 0 HB2 LEU A 61 12.989 20.699 -12.353 1.00 0.22 H new ATOM 0 HB3 LEU A 61 13.805 19.149 -12.298 1.00 0.22 H new ATOM 0 HG LEU A 61 14.739 21.697 -10.902 1.00 0.10 H new ATOM 0 HD11 LEU A 61 14.185 20.239 -9.046 1.00 0.08 H new ATOM 0 HD12 LEU A 61 12.784 20.414 -10.128 1.00 0.08 H new ATOM 0 HD13 LEU A 61 13.776 18.937 -10.189 1.00 0.08 H new ATOM 0 HD21 LEU A 61 16.473 20.371 -10.022 1.00 0.16 H new ATOM 0 HD22 LEU A 61 15.965 18.982 -11.012 1.00 0.16 H new ATOM 0 HD23 LEU A 61 16.590 20.453 -11.795 1.00 0.16 H new ATOM 977 N LYS A 62 12.811 21.020 -14.610 1.00 0.71 N ATOM 978 CA LYS A 62 11.733 20.931 -15.633 1.00 0.92 C ATOM 979 C LYS A 62 12.234 20.130 -16.839 1.00 0.90 C ATOM 980 O LYS A 62 12.770 20.645 -17.800 1.00 1.02 O ATOM 981 CB LYS A 62 11.114 22.308 -15.849 1.00 1.21 C ATOM 982 CG LYS A 62 10.159 22.241 -17.033 1.00 1.19 C ATOM 983 CD LYS A 62 10.741 22.693 -18.408 1.00 1.05 C ATOM 984 CE LYS A 62 11.667 23.902 -18.271 1.00 1.99 C ATOM 985 NZ LYS A 62 12.989 23.387 -17.794 1.00 2.67 N ATOM 0 H LYS A 62 12.631 21.728 -13.898 1.00 0.71 H new ATOM 0 HA LYS A 62 10.873 20.345 -15.311 1.00 0.92 H new ATOM 0 HB2 LYS A 62 10.581 22.626 -14.953 1.00 1.21 H new ATOM 0 HB3 LYS A 62 11.894 23.046 -16.035 1.00 1.21 H new ATOM 0 HG2 LYS A 62 9.804 21.215 -17.131 1.00 1.19 H new ATOM 0 HG3 LYS A 62 9.289 22.859 -16.808 1.00 1.19 H new ATOM 0 HD2 LYS A 62 11.290 21.866 -18.858 1.00 1.05 H new ATOM 0 HD3 LYS A 62 9.922 22.939 -19.085 1.00 1.05 H new ATOM 0 HE2 LYS A 62 11.775 24.416 -19.226 1.00 1.99 H new ATOM 0 HE3 LYS A 62 11.257 24.624 -17.565 1.00 1.99 H new ATOM 0 HZ1 LYS A 62 13.184 23.759 -16.843 1.00 2.67 H new ATOM 0 HZ2 LYS A 62 12.965 22.348 -17.761 1.00 2.67 H new ATOM 0 HZ3 LYS A 62 13.738 23.696 -18.446 1.00 2.67 H new ATOM 999 N GLY A 63 11.985 18.877 -16.611 1.00 0.79 N ATOM 1000 CA GLY A 63 12.324 17.730 -17.507 1.00 0.78 C ATOM 1001 C GLY A 63 13.323 16.720 -16.864 1.00 0.58 C ATOM 1002 O GLY A 63 13.948 15.987 -17.606 1.00 0.61 O ATOM 0 H GLY A 63 11.515 18.573 -15.758 1.00 0.79 H new ATOM 0 HA2 GLY A 63 11.408 17.204 -17.775 1.00 0.78 H new ATOM 0 HA3 GLY A 63 12.752 18.115 -18.432 1.00 0.78 H new ATOM 1006 N THR A 64 13.483 16.654 -15.550 1.00 0.49 N ATOM 1007 CA THR A 64 14.445 15.666 -14.956 1.00 0.35 C ATOM 1008 C THR A 64 13.763 14.340 -14.663 1.00 0.17 C ATOM 1009 O THR A 64 12.555 14.249 -14.546 1.00 0.25 O ATOM 1010 CB THR A 64 14.895 16.213 -13.541 1.00 0.22 C ATOM 1011 OG1 THR A 64 16.308 16.300 -13.602 1.00 0.39 O ATOM 1012 CG2 THR A 64 14.654 15.247 -12.332 1.00 0.17 C ATOM 0 H THR A 64 12.991 17.239 -14.875 1.00 0.49 H new ATOM 0 HA THR A 64 15.266 15.532 -15.661 1.00 0.35 H new ATOM 0 HB THR A 64 14.327 17.128 -13.373 1.00 0.22 H new ATOM 0 HG1 THR A 64 16.652 16.637 -12.749 1.00 0.39 H new ATOM 0 HG21 THR A 64 14.998 15.721 -11.413 1.00 0.17 H new ATOM 0 HG22 THR A 64 13.590 15.026 -12.250 1.00 0.17 H new ATOM 0 HG23 THR A 64 15.206 14.321 -12.491 1.00 0.17 H new ATOM 1020 N SER A 65 14.572 13.315 -14.535 1.00 0.23 N ATOM 1021 CA SER A 65 14.031 11.944 -14.225 1.00 0.45 C ATOM 1022 C SER A 65 13.069 12.005 -13.019 1.00 0.38 C ATOM 1023 O SER A 65 13.476 12.244 -11.898 1.00 0.48 O ATOM 1024 CB SER A 65 15.210 10.962 -13.943 1.00 0.86 C ATOM 1025 OG SER A 65 14.715 9.978 -13.033 1.00 1.40 O ATOM 0 H SER A 65 15.586 13.365 -14.631 1.00 0.23 H new ATOM 0 HA SER A 65 13.471 11.579 -15.086 1.00 0.45 H new ATOM 0 HB2 SER A 65 15.555 10.497 -14.866 1.00 0.86 H new ATOM 0 HB3 SER A 65 16.061 11.492 -13.515 1.00 0.86 H new ATOM 0 HG SER A 65 15.456 9.626 -12.497 1.00 1.40 H new ATOM 1031 N LYS A 66 11.807 11.822 -13.290 1.00 0.32 N ATOM 1032 CA LYS A 66 10.764 11.844 -12.211 1.00 0.32 C ATOM 1033 C LYS A 66 11.227 11.117 -10.921 1.00 0.37 C ATOM 1034 O LYS A 66 10.973 11.511 -9.800 1.00 0.40 O ATOM 1035 CB LYS A 66 9.576 11.104 -12.829 1.00 0.35 C ATOM 1036 CG LYS A 66 8.485 10.813 -11.789 1.00 1.74 C ATOM 1037 CD LYS A 66 7.275 10.200 -12.545 1.00 1.52 C ATOM 1038 CE LYS A 66 6.557 9.202 -11.656 1.00 3.03 C ATOM 1039 NZ LYS A 66 7.494 8.049 -11.482 1.00 4.27 N ATOM 0 H LYS A 66 11.442 11.655 -14.228 1.00 0.32 H new ATOM 0 HA LYS A 66 10.535 12.864 -11.904 1.00 0.32 H new ATOM 0 HB2 LYS A 66 9.157 11.701 -13.639 1.00 0.35 H new ATOM 0 HB3 LYS A 66 9.919 10.167 -13.268 1.00 0.35 H new ATOM 0 HG2 LYS A 66 8.853 10.123 -11.030 1.00 1.74 H new ATOM 0 HG3 LYS A 66 8.192 11.728 -11.274 1.00 1.74 H new ATOM 0 HD2 LYS A 66 6.587 10.990 -12.848 1.00 1.52 H new ATOM 0 HD3 LYS A 66 7.616 9.708 -13.456 1.00 1.52 H new ATOM 0 HE2 LYS A 66 6.306 9.648 -10.694 1.00 3.03 H new ATOM 0 HE3 LYS A 66 5.621 8.878 -12.111 1.00 3.03 H new ATOM 0 HZ1 LYS A 66 6.947 7.174 -11.349 1.00 4.27 H new ATOM 0 HZ2 LYS A 66 8.093 7.958 -12.327 1.00 4.27 H new ATOM 0 HZ3 LYS A 66 8.094 8.212 -10.649 1.00 4.27 H new ATOM 1053 N GLU A 67 11.930 10.063 -11.195 1.00 0.36 N ATOM 1054 CA GLU A 67 12.493 9.160 -10.171 1.00 0.42 C ATOM 1055 C GLU A 67 13.560 9.902 -9.463 1.00 0.33 C ATOM 1056 O GLU A 67 13.569 9.929 -8.255 1.00 0.32 O ATOM 1057 CB GLU A 67 12.938 7.913 -10.926 1.00 0.45 C ATOM 1058 CG GLU A 67 11.746 6.918 -10.870 1.00 0.34 C ATOM 1059 CD GLU A 67 10.418 7.583 -11.247 1.00 1.25 C ATOM 1060 OE1 GLU A 67 10.128 7.716 -12.423 1.00 2.24 O ATOM 1061 OE2 GLU A 67 9.713 7.955 -10.323 1.00 1.98 O ATOM 0 H GLU A 67 12.148 9.777 -12.150 1.00 0.36 H new ATOM 0 HA GLU A 67 11.801 8.837 -9.393 1.00 0.42 H new ATOM 0 HB2 GLU A 67 13.194 8.154 -11.958 1.00 0.45 H new ATOM 0 HB3 GLU A 67 13.828 7.479 -10.469 1.00 0.45 H new ATOM 0 HG2 GLU A 67 11.938 6.085 -11.547 1.00 0.34 H new ATOM 0 HG3 GLU A 67 11.670 6.502 -9.866 1.00 0.34 H new ATOM 1068 N ASP A 68 14.448 10.497 -10.193 1.00 0.32 N ATOM 1069 CA ASP A 68 15.500 11.251 -9.507 1.00 0.35 C ATOM 1070 C ASP A 68 14.850 12.320 -8.637 1.00 0.28 C ATOM 1071 O ASP A 68 15.215 12.510 -7.495 1.00 0.38 O ATOM 1072 CB ASP A 68 16.483 11.610 -10.547 1.00 0.47 C ATOM 1073 CG ASP A 68 17.358 10.364 -10.682 1.00 1.04 C ATOM 1074 OD1 ASP A 68 18.171 10.192 -9.787 1.00 2.32 O ATOM 1075 OD2 ASP A 68 17.130 9.666 -11.655 1.00 0.38 O ATOM 0 H ASP A 68 14.487 10.492 -11.212 1.00 0.32 H new ATOM 0 HA ASP A 68 16.092 10.719 -8.762 1.00 0.35 H new ATOM 0 HB2 ASP A 68 15.994 11.857 -11.489 1.00 0.47 H new ATOM 0 HB3 ASP A 68 17.071 12.480 -10.256 1.00 0.47 H new ATOM 1080 N ALA A 69 13.897 12.975 -9.217 1.00 0.18 N ATOM 1081 CA ALA A 69 13.146 14.039 -8.493 1.00 0.20 C ATOM 1082 C ALA A 69 12.587 13.369 -7.194 1.00 0.24 C ATOM 1083 O ALA A 69 12.920 13.839 -6.128 1.00 0.28 O ATOM 1084 CB ALA A 69 12.103 14.568 -9.454 1.00 0.16 C ATOM 0 H ALA A 69 13.596 12.820 -10.179 1.00 0.18 H new ATOM 0 HA ALA A 69 13.735 14.900 -8.177 1.00 0.20 H new ATOM 0 HB1 ALA A 69 11.525 15.353 -8.967 1.00 0.16 H new ATOM 0 HB2 ALA A 69 12.595 14.975 -10.337 1.00 0.16 H new ATOM 0 HB3 ALA A 69 11.437 13.758 -9.750 1.00 0.16 H new ATOM 1090 N MET A 70 11.791 12.323 -7.271 1.00 0.26 N ATOM 1091 CA MET A 70 11.239 11.636 -6.090 1.00 0.31 C ATOM 1092 C MET A 70 12.362 11.220 -5.140 1.00 0.29 C ATOM 1093 O MET A 70 12.421 11.603 -3.990 1.00 0.35 O ATOM 1094 CB MET A 70 10.522 10.375 -6.632 1.00 0.26 C ATOM 1095 CG MET A 70 9.156 10.743 -7.243 1.00 0.34 C ATOM 1096 SD MET A 70 7.978 9.401 -7.544 1.00 0.41 S ATOM 1097 CE MET A 70 7.201 9.431 -5.911 1.00 1.79 C ATOM 0 H MET A 70 11.498 11.911 -8.157 1.00 0.26 H new ATOM 0 HA MET A 70 10.562 12.286 -5.535 1.00 0.31 H new ATOM 0 HB2 MET A 70 11.145 9.893 -7.386 1.00 0.26 H new ATOM 0 HB3 MET A 70 10.383 9.655 -5.825 1.00 0.26 H new ATOM 0 HG2 MET A 70 8.678 11.467 -6.583 1.00 0.34 H new ATOM 0 HG3 MET A 70 9.338 11.248 -8.192 1.00 0.34 H new ATOM 0 HE1 MET A 70 6.581 8.543 -5.787 1.00 1.79 H new ATOM 0 HE2 MET A 70 7.973 9.445 -5.141 1.00 1.79 H new ATOM 0 HE3 MET A 70 6.581 10.323 -5.819 1.00 1.79 H new ATOM 1107 N LYS A 71 13.225 10.421 -5.677 1.00 0.25 N ATOM 1108 CA LYS A 71 14.399 9.902 -4.931 1.00 0.30 C ATOM 1109 C LYS A 71 15.082 11.026 -4.129 1.00 0.33 C ATOM 1110 O LYS A 71 14.971 11.106 -2.924 1.00 0.43 O ATOM 1111 CB LYS A 71 15.422 9.433 -5.974 1.00 0.47 C ATOM 1112 CG LYS A 71 15.224 8.011 -6.528 1.00 0.07 C ATOM 1113 CD LYS A 71 16.278 7.796 -7.686 1.00 0.86 C ATOM 1114 CE LYS A 71 17.639 8.484 -7.391 1.00 1.82 C ATOM 1115 NZ LYS A 71 18.134 7.984 -6.061 1.00 2.57 N ATOM 0 H LYS A 71 13.165 10.091 -6.640 1.00 0.25 H new ATOM 0 HA LYS A 71 14.073 9.112 -4.255 1.00 0.30 H new ATOM 0 HB2 LYS A 71 15.404 10.132 -6.810 1.00 0.47 H new ATOM 0 HB3 LYS A 71 16.416 9.493 -5.530 1.00 0.47 H new ATOM 0 HG2 LYS A 71 15.365 7.271 -5.740 1.00 0.07 H new ATOM 0 HG3 LYS A 71 14.209 7.886 -6.906 1.00 0.07 H new ATOM 0 HD2 LYS A 71 16.439 6.728 -7.832 1.00 0.86 H new ATOM 0 HD3 LYS A 71 15.872 8.187 -8.619 1.00 0.86 H new ATOM 0 HE2 LYS A 71 18.360 8.255 -8.176 1.00 1.82 H new ATOM 0 HE3 LYS A 71 17.522 9.568 -7.371 1.00 1.82 H new ATOM 0 HZ1 LYS A 71 18.033 8.735 -5.349 1.00 2.57 H new ATOM 0 HZ2 LYS A 71 17.576 7.155 -5.772 1.00 2.57 H new ATOM 0 HZ3 LYS A 71 19.135 7.716 -6.142 1.00 2.57 H new ATOM 1129 N ALA A 72 15.753 11.862 -4.884 1.00 0.26 N ATOM 1130 CA ALA A 72 16.511 13.031 -4.384 1.00 0.26 C ATOM 1131 C ALA A 72 15.695 13.696 -3.269 1.00 0.26 C ATOM 1132 O ALA A 72 16.150 13.847 -2.155 1.00 0.31 O ATOM 1133 CB ALA A 72 16.725 13.883 -5.622 1.00 0.20 C ATOM 0 H ALA A 72 15.801 11.762 -5.898 1.00 0.26 H new ATOM 0 HA ALA A 72 17.477 12.812 -3.928 1.00 0.26 H new ATOM 0 HB1 ALA A 72 17.282 14.781 -5.354 1.00 0.20 H new ATOM 0 HB2 ALA A 72 17.287 13.314 -6.362 1.00 0.20 H new ATOM 0 HB3 ALA A 72 15.759 14.167 -6.040 1.00 0.20 H new ATOM 1139 N TYR A 73 14.494 14.067 -3.622 1.00 0.22 N ATOM 1140 CA TYR A 73 13.563 14.727 -2.656 1.00 0.24 C ATOM 1141 C TYR A 73 13.617 14.054 -1.282 1.00 0.19 C ATOM 1142 O TYR A 73 13.702 14.721 -0.277 1.00 0.29 O ATOM 1143 CB TYR A 73 12.207 14.504 -3.247 1.00 0.25 C ATOM 1144 CG TYR A 73 11.101 15.333 -2.633 1.00 0.24 C ATOM 1145 CD1 TYR A 73 11.085 16.688 -2.752 1.00 0.95 C ATOM 1146 CD2 TYR A 73 10.096 14.707 -1.964 1.00 0.77 C ATOM 1147 CE1 TYR A 73 10.065 17.415 -2.205 1.00 0.89 C ATOM 1148 CE2 TYR A 73 9.062 15.411 -1.402 1.00 0.87 C ATOM 1149 CZ TYR A 73 9.035 16.786 -1.526 1.00 0.24 C ATOM 1150 OH TYR A 73 7.987 17.533 -1.027 1.00 0.31 O ATOM 0 H TYR A 73 14.110 13.939 -4.558 1.00 0.22 H new ATOM 0 HA TYR A 73 13.816 15.777 -2.510 1.00 0.24 H new ATOM 0 HB2 TYR A 73 12.252 14.719 -4.315 1.00 0.25 H new ATOM 0 HB3 TYR A 73 11.951 13.450 -3.144 1.00 0.25 H new ATOM 0 HD1 TYR A 73 11.881 17.191 -3.281 1.00 0.95 H new ATOM 0 HD2 TYR A 73 10.113 13.631 -1.873 1.00 0.77 H new ATOM 0 HE1 TYR A 73 10.062 18.491 -2.303 1.00 0.89 H new ATOM 0 HE2 TYR A 73 8.277 14.896 -0.868 1.00 0.87 H new ATOM 0 HH TYR A 73 7.890 18.354 -1.554 1.00 0.31 H new ATOM 1160 N ILE A 74 13.582 12.746 -1.298 1.00 0.15 N ATOM 1161 CA ILE A 74 13.622 11.986 0.013 1.00 0.12 C ATOM 1162 C ILE A 74 15.086 12.017 0.464 1.00 0.17 C ATOM 1163 O ILE A 74 15.424 12.591 1.481 1.00 0.21 O ATOM 1164 CB ILE A 74 13.403 10.386 -0.059 1.00 0.15 C ATOM 1165 CG1 ILE A 74 12.384 9.852 -1.057 1.00 0.12 C ATOM 1166 CG2 ILE A 74 13.048 9.933 1.365 1.00 0.18 C ATOM 1167 CD1 ILE A 74 12.775 8.393 -1.386 1.00 0.59 C ATOM 0 H ILE A 74 13.529 12.170 -2.138 1.00 0.15 H new ATOM 0 HA ILE A 74 12.841 12.447 0.618 1.00 0.12 H new ATOM 0 HB ILE A 74 14.333 9.967 -0.444 1.00 0.15 H new ATOM 0 HG12 ILE A 74 11.379 9.894 -0.638 1.00 0.12 H new ATOM 0 HG13 ILE A 74 12.378 10.460 -1.961 1.00 0.12 H new ATOM 0 HG21 ILE A 74 12.889 8.855 1.375 1.00 0.18 H new ATOM 0 HG22 ILE A 74 13.865 10.185 2.041 1.00 0.18 H new ATOM 0 HG23 ILE A 74 12.138 10.437 1.691 1.00 0.18 H new ATOM 0 HD11 ILE A 74 12.064 7.978 -2.100 1.00 0.59 H new ATOM 0 HD12 ILE A 74 13.776 8.373 -1.817 1.00 0.59 H new ATOM 0 HD13 ILE A 74 12.761 7.798 -0.473 1.00 0.59 H new ATOM 1179 N ASP A 75 15.879 11.373 -0.362 1.00 0.17 N ATOM 1180 CA ASP A 75 17.352 11.194 -0.242 1.00 0.28 C ATOM 1181 C ASP A 75 18.036 12.401 0.452 1.00 0.21 C ATOM 1182 O ASP A 75 19.000 12.305 1.190 1.00 0.25 O ATOM 1183 CB ASP A 75 17.813 10.893 -1.723 1.00 0.47 C ATOM 1184 CG ASP A 75 17.257 9.598 -2.378 1.00 0.79 C ATOM 1185 OD1 ASP A 75 16.511 8.924 -1.687 1.00 0.79 O ATOM 1186 OD2 ASP A 75 17.618 9.367 -3.538 1.00 1.85 O ATOM 0 H ASP A 75 15.511 10.921 -1.199 1.00 0.17 H new ATOM 0 HA ASP A 75 17.648 10.377 0.416 1.00 0.28 H new ATOM 0 HB2 ASP A 75 17.527 11.740 -2.347 1.00 0.47 H new ATOM 0 HB3 ASP A 75 18.902 10.841 -1.736 1.00 0.47 H new ATOM 1191 N LYS A 76 17.448 13.519 0.142 1.00 0.16 N ATOM 1192 CA LYS A 76 17.867 14.832 0.647 1.00 0.12 C ATOM 1193 C LYS A 76 17.050 15.290 1.858 1.00 0.18 C ATOM 1194 O LYS A 76 17.627 15.728 2.830 1.00 0.35 O ATOM 1195 CB LYS A 76 17.529 15.812 -0.481 1.00 0.20 C ATOM 1196 CG LYS A 76 18.334 17.116 -0.260 1.00 0.99 C ATOM 1197 CD LYS A 76 19.836 16.843 -0.477 1.00 0.36 C ATOM 1198 CE LYS A 76 20.631 18.125 -0.272 1.00 0.99 C ATOM 1199 NZ LYS A 76 21.985 17.691 0.172 1.00 0.89 N ATOM 0 H LYS A 76 16.643 13.565 -0.483 1.00 0.16 H new ATOM 0 HA LYS A 76 18.916 14.787 0.939 1.00 0.12 H new ATOM 0 HB2 LYS A 76 17.775 15.375 -1.449 1.00 0.20 H new ATOM 0 HB3 LYS A 76 16.460 16.024 -0.490 1.00 0.20 H new ATOM 0 HG2 LYS A 76 17.991 17.887 -0.950 1.00 0.99 H new ATOM 0 HG3 LYS A 76 18.165 17.492 0.749 1.00 0.99 H new ATOM 0 HD2 LYS A 76 20.179 16.077 0.218 1.00 0.36 H new ATOM 0 HD3 LYS A 76 20.003 16.458 -1.483 1.00 0.36 H new ATOM 0 HE2 LYS A 76 20.688 18.703 -1.195 1.00 0.99 H new ATOM 0 HE3 LYS A 76 20.159 18.763 0.475 1.00 0.99 H new ATOM 0 HZ1 LYS A 76 22.327 18.329 0.918 1.00 0.89 H new ATOM 0 HZ2 LYS A 76 21.934 16.721 0.543 1.00 0.89 H new ATOM 0 HZ3 LYS A 76 22.641 17.719 -0.635 1.00 0.89 H new ATOM 1213 N VAL A 77 15.742 15.197 1.810 1.00 0.13 N ATOM 1214 CA VAL A 77 14.872 15.618 2.925 1.00 0.13 C ATOM 1215 C VAL A 77 15.421 15.230 4.271 1.00 0.09 C ATOM 1216 O VAL A 77 15.398 16.013 5.194 1.00 0.11 O ATOM 1217 CB VAL A 77 13.533 14.978 2.602 1.00 0.14 C ATOM 1218 CG1 VAL A 77 12.840 14.481 3.809 1.00 0.12 C ATOM 1219 CG2 VAL A 77 12.692 16.041 1.959 1.00 0.23 C ATOM 0 H VAL A 77 15.234 14.830 1.005 1.00 0.13 H new ATOM 0 HA VAL A 77 14.790 16.702 3.008 1.00 0.13 H new ATOM 0 HB VAL A 77 13.693 14.118 1.951 1.00 0.14 H new ATOM 0 HG11 VAL A 77 11.888 14.033 3.524 1.00 0.12 H new ATOM 0 HG12 VAL A 77 13.460 13.732 4.302 1.00 0.12 H new ATOM 0 HG13 VAL A 77 12.660 15.311 4.493 1.00 0.12 H new ATOM 0 HG21 VAL A 77 11.715 15.629 1.707 1.00 0.23 H new ATOM 0 HG22 VAL A 77 12.567 16.874 2.651 1.00 0.23 H new ATOM 0 HG23 VAL A 77 13.182 16.394 1.052 1.00 0.23 H new ATOM 1229 N GLU A 78 15.886 14.017 4.328 1.00 0.09 N ATOM 1230 CA GLU A 78 16.474 13.494 5.606 1.00 0.19 C ATOM 1231 C GLU A 78 17.307 14.574 6.337 1.00 0.29 C ATOM 1232 O GLU A 78 17.348 14.620 7.553 1.00 0.41 O ATOM 1233 CB GLU A 78 17.220 12.196 5.250 1.00 0.25 C ATOM 1234 CG GLU A 78 17.999 11.589 6.456 1.00 0.54 C ATOM 1235 CD GLU A 78 17.183 11.461 7.754 1.00 0.52 C ATOM 1236 OE1 GLU A 78 16.089 10.911 7.712 1.00 1.02 O ATOM 1237 OE2 GLU A 78 17.738 11.938 8.738 1.00 1.13 O ATOM 0 H GLU A 78 15.888 13.358 3.549 1.00 0.09 H new ATOM 0 HA GLU A 78 15.711 13.249 6.344 1.00 0.19 H new ATOM 0 HB2 GLU A 78 16.504 11.462 4.881 1.00 0.25 H new ATOM 0 HB3 GLU A 78 17.918 12.396 4.438 1.00 0.25 H new ATOM 0 HG2 GLU A 78 18.364 10.601 6.174 1.00 0.54 H new ATOM 0 HG3 GLU A 78 18.874 12.208 6.653 1.00 0.54 H new ATOM 1244 N GLU A 79 17.950 15.414 5.564 1.00 0.29 N ATOM 1245 CA GLU A 79 18.787 16.521 6.105 1.00 0.37 C ATOM 1246 C GLU A 79 17.797 17.489 6.816 1.00 0.35 C ATOM 1247 O GLU A 79 17.951 17.800 7.977 1.00 0.46 O ATOM 1248 CB GLU A 79 19.522 17.180 4.894 1.00 0.39 C ATOM 1249 CG GLU A 79 20.445 16.142 4.097 1.00 0.42 C ATOM 1250 CD GLU A 79 21.117 16.761 2.845 1.00 0.68 C ATOM 1251 OE1 GLU A 79 20.939 17.943 2.614 1.00 1.42 O ATOM 1252 OE2 GLU A 79 21.811 16.061 2.122 1.00 1.73 O ATOM 0 H GLU A 79 17.925 15.373 4.545 1.00 0.29 H new ATOM 0 HA GLU A 79 19.549 16.206 6.818 1.00 0.37 H new ATOM 0 HB2 GLU A 79 18.784 17.603 4.212 1.00 0.39 H new ATOM 0 HB3 GLU A 79 20.136 18.006 5.252 1.00 0.39 H new ATOM 0 HG2 GLU A 79 21.217 15.764 4.767 1.00 0.42 H new ATOM 0 HG3 GLU A 79 19.841 15.288 3.792 1.00 0.42 H new ATOM 1259 N LEU A 80 16.788 17.930 6.117 1.00 0.24 N ATOM 1260 CA LEU A 80 15.756 18.860 6.657 1.00 0.19 C ATOM 1261 C LEU A 80 15.016 18.287 7.840 1.00 0.26 C ATOM 1262 O LEU A 80 14.746 18.939 8.829 1.00 0.37 O ATOM 1263 CB LEU A 80 14.861 19.108 5.525 1.00 0.11 C ATOM 1264 CG LEU A 80 15.718 19.621 4.336 1.00 0.23 C ATOM 1265 CD1 LEU A 80 14.694 20.165 3.491 1.00 0.22 C ATOM 1266 CD2 LEU A 80 16.685 20.763 4.734 1.00 0.31 C ATOM 0 H LEU A 80 16.631 17.669 5.144 1.00 0.24 H new ATOM 0 HA LEU A 80 16.205 19.775 7.042 1.00 0.19 H new ATOM 0 HB2 LEU A 80 14.335 18.194 5.249 1.00 0.11 H new ATOM 0 HB3 LEU A 80 14.103 19.844 5.793 1.00 0.11 H new ATOM 0 HG LEU A 80 16.351 18.844 3.907 1.00 0.23 H new ATOM 0 HD11 LEU A 80 15.147 20.576 2.589 1.00 0.22 H new ATOM 0 HD12 LEU A 80 13.991 19.378 3.218 1.00 0.22 H new ATOM 0 HD13 LEU A 80 14.165 20.955 4.023 1.00 0.22 H new ATOM 0 HD21 LEU A 80 17.255 21.078 3.860 1.00 0.31 H new ATOM 0 HD22 LEU A 80 16.112 21.608 5.117 1.00 0.31 H new ATOM 0 HD23 LEU A 80 17.369 20.409 5.505 1.00 0.31 H new ATOM 1278 N LYS A 81 14.714 17.038 7.670 1.00 0.24 N ATOM 1279 CA LYS A 81 13.990 16.247 8.702 1.00 0.39 C ATOM 1280 C LYS A 81 14.830 16.219 9.983 1.00 0.51 C ATOM 1281 O LYS A 81 14.336 15.934 11.052 1.00 0.64 O ATOM 1282 CB LYS A 81 14.005 14.841 8.139 1.00 0.31 C ATOM 1283 CG LYS A 81 13.174 13.802 8.959 1.00 0.50 C ATOM 1284 CD LYS A 81 13.660 12.400 8.464 1.00 0.47 C ATOM 1285 CE LYS A 81 12.583 11.313 8.335 1.00 0.93 C ATOM 1286 NZ LYS A 81 13.307 10.096 7.837 1.00 2.00 N ATOM 0 H LYS A 81 14.946 16.511 6.828 1.00 0.24 H new ATOM 0 HA LYS A 81 12.997 16.641 8.920 1.00 0.39 H new ATOM 0 HB2 LYS A 81 13.622 14.868 7.119 1.00 0.31 H new ATOM 0 HB3 LYS A 81 15.038 14.497 8.083 1.00 0.31 H new ATOM 0 HG2 LYS A 81 13.342 13.921 10.029 1.00 0.50 H new ATOM 0 HG3 LYS A 81 12.105 13.931 8.788 1.00 0.50 H new ATOM 0 HD2 LYS A 81 14.136 12.527 7.492 1.00 0.47 H new ATOM 0 HD3 LYS A 81 14.427 12.042 9.151 1.00 0.47 H new ATOM 0 HE2 LYS A 81 12.102 11.120 9.294 1.00 0.93 H new ATOM 0 HE3 LYS A 81 11.799 11.616 7.641 1.00 0.93 H new ATOM 0 HZ1 LYS A 81 12.953 9.844 6.892 1.00 2.00 H new ATOM 0 HZ2 LYS A 81 14.326 10.296 7.783 1.00 2.00 H new ATOM 0 HZ3 LYS A 81 13.144 9.303 8.490 1.00 2.00 H new ATOM 1300 N LYS A 82 16.089 16.522 9.821 1.00 0.50 N ATOM 1301 CA LYS A 82 17.017 16.520 10.978 1.00 0.67 C ATOM 1302 C LYS A 82 17.221 17.954 11.447 1.00 0.74 C ATOM 1303 O LYS A 82 16.997 18.294 12.586 1.00 0.94 O ATOM 1304 CB LYS A 82 18.217 15.756 10.409 1.00 0.78 C ATOM 1305 CG LYS A 82 19.558 16.410 10.482 1.00 1.29 C ATOM 1306 CD LYS A 82 20.667 15.298 10.269 1.00 0.99 C ATOM 1307 CE LYS A 82 20.722 14.581 8.866 1.00 1.31 C ATOM 1308 NZ LYS A 82 19.487 13.764 8.583 1.00 1.03 N ATOM 0 H LYS A 82 16.514 16.772 8.928 1.00 0.50 H new ATOM 0 HA LYS A 82 16.698 16.034 11.900 1.00 0.67 H new ATOM 0 HB2 LYS A 82 18.282 14.800 10.928 1.00 0.78 H new ATOM 0 HB3 LYS A 82 18.008 15.536 9.362 1.00 0.78 H new ATOM 0 HG2 LYS A 82 19.645 17.184 9.719 1.00 1.29 H new ATOM 0 HG3 LYS A 82 19.690 16.898 11.448 1.00 1.29 H new ATOM 0 HD2 LYS A 82 21.640 15.755 10.451 1.00 0.99 H new ATOM 0 HD3 LYS A 82 20.526 14.533 11.032 1.00 0.99 H new ATOM 0 HE2 LYS A 82 20.844 15.330 8.084 1.00 1.31 H new ATOM 0 HE3 LYS A 82 21.598 13.934 8.827 1.00 1.31 H new ATOM 0 HZ1 LYS A 82 19.739 12.949 7.988 1.00 1.03 H new ATOM 0 HZ2 LYS A 82 19.082 13.426 9.479 1.00 1.03 H new ATOM 0 HZ3 LYS A 82 18.788 14.352 8.087 1.00 1.03 H new ATOM 1322 N LYS A 83 17.658 18.742 10.517 1.00 0.62 N ATOM 1323 CA LYS A 83 17.922 20.192 10.735 1.00 0.67 C ATOM 1324 C LYS A 83 16.705 20.909 11.364 1.00 0.71 C ATOM 1325 O LYS A 83 16.795 21.660 12.311 1.00 0.81 O ATOM 1326 CB LYS A 83 18.247 20.780 9.352 1.00 0.62 C ATOM 1327 CG LYS A 83 18.966 22.128 9.518 1.00 0.77 C ATOM 1328 CD LYS A 83 19.460 22.585 8.123 1.00 0.52 C ATOM 1329 CE LYS A 83 20.111 23.961 8.221 1.00 0.85 C ATOM 1330 NZ LYS A 83 20.573 24.337 6.852 1.00 0.67 N ATOM 0 H LYS A 83 17.854 18.428 9.566 1.00 0.62 H new ATOM 0 HA LYS A 83 18.746 20.331 11.435 1.00 0.67 H new ATOM 0 HB2 LYS A 83 18.875 20.088 8.791 1.00 0.62 H new ATOM 0 HB3 LYS A 83 17.330 20.914 8.779 1.00 0.62 H new ATOM 0 HG2 LYS A 83 18.291 22.870 9.944 1.00 0.77 H new ATOM 0 HG3 LYS A 83 19.806 22.029 10.206 1.00 0.77 H new ATOM 0 HD2 LYS A 83 20.175 21.863 7.728 1.00 0.52 H new ATOM 0 HD3 LYS A 83 18.623 22.619 7.426 1.00 0.52 H new ATOM 0 HE2 LYS A 83 19.401 24.695 8.601 1.00 0.85 H new ATOM 0 HE3 LYS A 83 20.950 23.940 8.916 1.00 0.85 H new ATOM 0 HZ1 LYS A 83 21.591 24.549 6.875 1.00 0.67 H new ATOM 0 HZ2 LYS A 83 20.398 23.548 6.198 1.00 0.67 H new ATOM 0 HZ3 LYS A 83 20.052 25.177 6.528 1.00 0.67 H new ATOM 1344 N TYR A 84 15.591 20.626 10.761 1.00 0.63 N ATOM 1345 CA TYR A 84 14.234 21.163 11.145 1.00 0.64 C ATOM 1346 C TYR A 84 13.298 20.104 11.771 1.00 0.71 C ATOM 1347 O TYR A 84 12.745 20.271 12.847 1.00 0.97 O ATOM 1348 CB TYR A 84 13.649 21.639 9.773 1.00 0.48 C ATOM 1349 CG TYR A 84 14.676 22.568 9.116 1.00 0.51 C ATOM 1350 CD1 TYR A 84 15.226 23.560 9.908 1.00 1.63 C ATOM 1351 CD2 TYR A 84 15.080 22.450 7.785 1.00 1.01 C ATOM 1352 CE1 TYR A 84 16.156 24.426 9.421 1.00 1.73 C ATOM 1353 CE2 TYR A 84 16.022 23.334 7.313 1.00 0.91 C ATOM 1354 CZ TYR A 84 16.560 24.323 8.128 1.00 0.70 C ATOM 1355 OH TYR A 84 17.490 25.219 7.658 1.00 0.83 O ATOM 0 H TYR A 84 15.554 19.999 9.957 1.00 0.63 H new ATOM 0 HA TYR A 84 14.318 21.937 11.908 1.00 0.64 H new ATOM 0 HB2 TYR A 84 13.443 20.784 9.130 1.00 0.48 H new ATOM 0 HB3 TYR A 84 12.704 22.161 9.922 1.00 0.48 H new ATOM 0 HD1 TYR A 84 14.910 23.649 10.937 1.00 1.63 H new ATOM 0 HD2 TYR A 84 14.665 21.686 7.144 1.00 1.01 H new ATOM 0 HE1 TYR A 84 16.571 25.192 10.060 1.00 1.73 H new ATOM 0 HE2 TYR A 84 16.351 23.258 6.287 1.00 0.91 H new ATOM 0 HH TYR A 84 17.808 24.929 6.778 1.00 0.83 H new ATOM 1365 N GLY A 85 13.141 19.028 11.051 1.00 0.65 N ATOM 1366 CA GLY A 85 12.270 17.913 11.525 1.00 0.92 C ATOM 1367 C GLY A 85 10.798 18.256 11.588 1.00 1.14 C ATOM 1368 O GLY A 85 10.298 19.259 11.105 1.00 1.27 O ATOM 0 H GLY A 85 13.583 18.871 10.145 1.00 0.65 H new ATOM 0 HA2 GLY A 85 12.404 17.057 10.864 1.00 0.92 H new ATOM 0 HA3 GLY A 85 12.602 17.605 12.516 1.00 0.92 H new ATOM 1372 N ILE A 86 10.140 17.358 12.238 1.00 1.22 N ATOM 1373 CA ILE A 86 8.719 17.409 12.464 1.00 1.44 C ATOM 1374 C ILE A 86 8.687 17.817 13.968 1.00 1.40 C ATOM 1375 O ILE A 86 9.577 17.407 14.698 1.00 0.92 O ATOM 1376 CB ILE A 86 8.267 15.991 12.104 1.00 1.63 C ATOM 1377 CG1 ILE A 86 7.068 15.744 12.905 1.00 1.34 C ATOM 1378 CG2 ILE A 86 9.315 14.850 12.382 1.00 1.70 C ATOM 1379 CD1 ILE A 86 6.160 14.855 12.062 1.00 1.77 C ATOM 1380 OXT ILE A 86 7.791 18.542 14.350 1.00 2.62 O ATOM 0 H ILE A 86 10.584 16.535 12.645 1.00 1.22 H new ATOM 0 HA ILE A 86 8.069 18.086 11.910 1.00 1.44 H new ATOM 0 HB ILE A 86 8.108 15.955 11.026 1.00 1.63 H new ATOM 0 HG12 ILE A 86 7.324 15.256 13.846 1.00 1.34 H new ATOM 0 HG13 ILE A 86 6.570 16.680 13.156 1.00 1.34 H new ATOM 0 HG21 ILE A 86 8.892 13.889 12.091 1.00 1.70 H new ATOM 0 HG22 ILE A 86 10.220 15.038 11.804 1.00 1.70 H new ATOM 0 HG23 ILE A 86 9.560 14.832 13.444 1.00 1.70 H new ATOM 0 HD11 ILE A 86 5.246 14.639 12.616 1.00 1.77 H new ATOM 0 HD12 ILE A 86 5.909 15.368 11.133 1.00 1.77 H new ATOM 0 HD13 ILE A 86 6.675 13.922 11.834 1.00 1.77 H new