USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 124:sc= 1.16 USER MOD Set 1.2: A 57 SER OG : rot -83:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 2.46 (180deg=2) USER MOD Single : A 2 GLN : amide:sc= -0.0566 X(o=-0.057,f=-0.0094) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 0.821 (180deg=-0.671!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00463 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.0861 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.39 F(o=-2.5!,f=-0.39) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0188) USER MOD Single : A 31 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 1.33 (180deg=1.2) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= 1 K(o=1,f=-2.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.997 K(o=1,f=-7.3!) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.584 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0138 K(o=-0.014,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ -119:sc= 1.29 (180deg=-0.109) USER MOD Single : A 65 SER OG : rot 82:sc= 1.18 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00307 X(o=-0.0031,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.008 -7.335 -5.611 1.00 9.67 N ATOM 2 CA MET A 1 11.036 -7.226 -4.103 1.00 10.38 C ATOM 3 C MET A 1 9.760 -7.635 -3.399 1.00 9.62 C ATOM 4 O MET A 1 8.743 -7.119 -3.711 1.00 9.62 O ATOM 5 CB MET A 1 11.414 -5.767 -3.749 1.00 13.77 C ATOM 6 CG MET A 1 11.815 -5.554 -2.275 1.00 16.29 C ATOM 7 SD MET A 1 12.676 -4.099 -1.883 1.00 17.17 S ATOM 8 CE MET A 1 11.279 -2.892 -1.993 1.00 16.11 C ATOM 0 H1 MET A 1 11.979 -7.283 -5.981 1.00 9.67 H new ATOM 0 H2 MET A 1 10.581 -8.243 -5.886 1.00 9.67 H new ATOM 0 H3 MET A 1 10.445 -6.554 -6.005 1.00 9.67 H new ATOM 0 HA MET A 1 11.773 -7.943 -3.741 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.240 -5.453 -4.387 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.569 -5.119 -3.981 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.907 -5.581 -1.672 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.428 -6.401 -1.967 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.645 -1.890 -1.770 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.861 -2.910 -3.000 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.506 -3.164 -1.275 1.00 16.11 H new ATOM 20 N GLN A 2 9.786 -8.612 -2.472 1.00 9.27 N ATOM 21 CA GLN A 2 8.643 -8.990 -1.635 1.00 9.07 C ATOM 22 C GLN A 2 8.316 -7.986 -0.511 1.00 8.72 C ATOM 23 O GLN A 2 9.226 -7.540 0.211 1.00 8.22 O ATOM 24 CB GLN A 2 8.935 -10.366 -0.958 1.00 14.46 C ATOM 25 CG GLN A 2 9.066 -11.520 -2.004 1.00 17.01 C ATOM 26 CD GLN A 2 7.728 -11.780 -2.750 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.885 -12.545 -2.277 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.608 -11.197 -3.953 1.00 19.49 N ATOM 0 H GLN A 2 10.620 -9.168 -2.285 1.00 9.27 H new ATOM 0 HA GLN A 2 7.786 -9.021 -2.307 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.856 -10.296 -0.379 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.134 -10.602 -0.257 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.842 -11.268 -2.727 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.384 -12.433 -1.500 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.339 -10.572 -4.292 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.785 -11.379 -4.528 1.00 19.49 H new ATOM 37 N ILE A 3 7.002 -7.563 -0.388 1.00 5.87 N ATOM 38 CA ILE A 3 6.496 -6.825 0.800 1.00 5.07 C ATOM 39 C ILE A 3 5.169 -7.337 1.151 1.00 4.01 C ATOM 40 O ILE A 3 4.534 -8.030 0.401 1.00 4.61 O ATOM 41 CB ILE A 3 6.456 -5.300 0.522 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.452 -5.019 -0.600 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.873 -4.733 0.365 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.024 -3.486 -0.666 1.00 10.83 C ATOM 0 H ILE A 3 6.292 -7.728 -1.102 1.00 5.87 H new ATOM 0 HA ILE A 3 7.170 -6.982 1.642 1.00 5.07 H new ATOM 0 HB ILE A 3 6.074 -4.740 1.375 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.888 -5.313 -1.555 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.565 -5.635 -0.452 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.817 -3.662 0.171 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.438 -4.907 1.281 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.372 -5.227 -0.468 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.312 -3.342 -1.478 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.562 -3.196 0.278 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.905 -2.869 -0.843 1.00 10.83 H new ATOM 56 N PHE A 4 4.693 -7.102 2.383 1.00 4.55 N ATOM 57 CA PHE A 4 3.461 -7.592 2.908 1.00 4.68 C ATOM 58 C PHE A 4 2.445 -6.462 3.200 1.00 5.30 C ATOM 59 O PHE A 4 2.732 -5.371 3.514 1.00 5.58 O ATOM 60 CB PHE A 4 3.600 -8.474 4.146 1.00 4.83 C ATOM 61 CG PHE A 4 4.834 -9.325 4.122 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.783 -10.515 3.270 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.096 -9.156 4.825 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.781 -11.422 3.157 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.133 -10.110 4.700 1.00 10.61 C ATOM 66 CZ PHE A 4 6.947 -11.236 3.868 1.00 8.90 C ATOM 0 H PHE A 4 5.204 -6.531 3.057 1.00 4.55 H new ATOM 0 HA PHE A 4 3.081 -8.223 2.104 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.617 -7.843 5.035 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.723 -9.117 4.228 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.886 -10.680 2.691 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.244 -8.289 5.452 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.665 -12.283 2.516 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.061 -9.978 5.237 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.737 -11.968 3.787 1.00 8.90 H new ATOM 76 N VAL A 5 1.152 -6.674 3.005 1.00 4.44 N ATOM 77 CA VAL A 5 0.047 -5.759 3.241 1.00 3.87 C ATOM 78 C VAL A 5 -0.923 -6.329 4.223 1.00 4.93 C ATOM 79 O VAL A 5 -1.553 -7.314 3.867 1.00 6.84 O ATOM 80 CB VAL A 5 -0.798 -5.304 2.011 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.602 -4.069 2.406 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.218 -4.893 0.936 1.00 9.13 C ATOM 0 H VAL A 5 0.821 -7.570 2.646 1.00 4.44 H new ATOM 0 HA VAL A 5 0.576 -4.876 3.601 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.472 -6.087 1.665 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.199 -3.737 1.557 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.261 -4.315 3.239 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.921 -3.272 2.705 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.311 -4.562 0.043 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.838 -4.079 1.313 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.850 -5.746 0.688 1.00 9.13 H new ATOM 92 N LYS A 6 -1.111 -5.800 5.452 1.00 6.04 N ATOM 93 CA LYS A 6 -2.147 -6.322 6.303 1.00 6.12 C ATOM 94 C LYS A 6 -3.435 -5.653 5.971 1.00 6.57 C ATOM 95 O LYS A 6 -3.493 -4.447 5.763 1.00 5.76 O ATOM 96 CB LYS A 6 -1.780 -5.978 7.746 1.00 7.45 C ATOM 97 CG LYS A 6 -1.016 -7.134 8.459 1.00 11.12 C ATOM 98 CD LYS A 6 -0.465 -6.842 9.858 1.00 14.54 C ATOM 99 CE LYS A 6 0.315 -7.939 10.558 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.441 -9.142 10.755 1.00 20.55 N ATOM 0 H LYS A 6 -0.565 -5.035 5.848 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.246 -7.399 6.168 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.164 -5.079 7.756 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.688 -5.749 8.304 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.687 -7.990 8.531 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.184 -7.434 7.822 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.180 -5.966 9.787 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.304 -6.569 10.497 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.205 -8.170 9.973 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.656 -7.571 11.526 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.150 -9.849 11.237 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.277 -8.935 11.337 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.745 -9.516 9.833 1.00 20.55 H new ATOM 114 N THR A 7 -4.528 -6.372 5.852 1.00 7.41 N ATOM 115 CA THR A 7 -5.810 -5.988 5.301 1.00 7.48 C ATOM 116 C THR A 7 -6.921 -6.235 6.323 1.00 8.75 C ATOM 117 O THR A 7 -6.716 -6.779 7.429 1.00 8.58 O ATOM 118 CB THR A 7 -6.125 -6.521 3.870 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.827 -7.761 3.870 1.00 11.78 O ATOM 120 CG2 THR A 7 -4.918 -6.679 2.976 1.00 9.17 C ATOM 0 H THR A 7 -4.543 -7.340 6.172 1.00 7.41 H new ATOM 0 HA THR A 7 -5.751 -4.915 5.118 1.00 7.48 H new ATOM 0 HB THR A 7 -6.759 -5.732 3.464 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.996 -8.041 2.946 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.233 -7.054 2.002 1.00 9.17 H new ATOM 0 HG22 THR A 7 -4.428 -5.713 2.852 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.220 -7.384 3.428 1.00 9.17 H new ATOM 128 N LEU A 8 -8.187 -5.696 6.079 1.00 9.84 N ATOM 129 CA LEU A 8 -9.183 -5.629 7.160 1.00 14.15 C ATOM 130 C LEU A 8 -9.561 -6.873 7.900 1.00 17.37 C ATOM 131 O LEU A 8 -9.645 -6.883 9.136 1.00 17.01 O ATOM 132 CB LEU A 8 -10.525 -5.039 6.541 1.00 16.63 C ATOM 133 CG LEU A 8 -11.699 -4.924 7.568 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.658 -3.581 8.294 1.00 19.31 C ATOM 135 CD2 LEU A 8 -13.078 -5.004 6.933 1.00 18.59 C ATOM 0 H LEU A 8 -8.498 -5.328 5.180 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.681 -5.022 7.914 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.319 -4.052 6.127 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.841 -5.673 5.712 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.554 -5.770 8.240 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.484 -3.525 9.003 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.713 -3.486 8.830 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.747 -2.772 7.569 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.841 -4.917 7.707 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -13.195 -4.193 6.215 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -13.188 -5.960 6.421 1.00 18.59 H new ATOM 147 N THR A 9 -9.783 -7.988 7.211 1.00 18.33 N ATOM 148 CA THR A 9 -10.318 -9.247 7.753 1.00 19.24 C ATOM 149 C THR A 9 -9.296 -10.131 8.433 1.00 19.48 C ATOM 150 O THR A 9 -9.471 -11.374 8.622 1.00 23.14 O ATOM 151 CB THR A 9 -11.187 -10.060 6.791 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.420 -10.438 5.670 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.310 -9.126 6.344 1.00 19.70 C ATOM 0 H THR A 9 -9.588 -8.048 6.212 1.00 18.33 H new ATOM 0 HA THR A 9 -10.987 -8.878 8.530 1.00 19.24 H new ATOM 0 HB THR A 9 -11.575 -10.962 7.264 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.976 -10.960 5.054 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.967 -9.652 5.652 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.882 -8.803 7.214 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.883 -8.255 5.847 1.00 19.70 H new ATOM 161 N GLY A 10 -8.118 -9.492 8.860 1.00 19.43 N ATOM 162 CA GLY A 10 -6.979 -10.144 9.461 1.00 18.74 C ATOM 163 C GLY A 10 -6.186 -10.983 8.511 1.00 17.62 C ATOM 164 O GLY A 10 -5.347 -11.773 8.966 1.00 19.74 O ATOM 0 H GLY A 10 -7.988 -8.484 8.768 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.325 -9.386 9.892 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.325 -10.772 10.282 1.00 18.74 H new ATOM 168 N LYS A 11 -6.534 -10.898 7.221 1.00 13.56 N ATOM 169 CA LYS A 11 -5.814 -11.364 6.126 1.00 11.91 C ATOM 170 C LYS A 11 -4.590 -10.477 5.859 1.00 10.18 C ATOM 171 O LYS A 11 -4.511 -9.248 6.108 1.00 9.10 O ATOM 172 CB LYS A 11 -6.745 -11.373 4.895 1.00 13.43 C ATOM 173 CG LYS A 11 -6.167 -12.164 3.656 1.00 16.69 C ATOM 174 CD LYS A 11 -7.076 -12.082 2.481 1.00 17.92 C ATOM 175 CE LYS A 11 -6.665 -12.974 1.345 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.553 -12.746 0.208 1.00 21.93 N ATOM 0 H LYS A 11 -7.409 -10.456 6.939 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.454 -12.372 6.331 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.701 -11.812 5.179 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.943 -10.344 4.595 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.190 -11.761 3.390 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.017 -13.209 3.928 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.086 -12.346 2.793 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.111 -11.051 2.129 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.633 -12.769 1.062 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.710 -14.019 1.653 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.069 -13.020 -0.671 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.415 -13.317 0.321 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.808 -11.739 0.163 1.00 21.93 H new ATOM 190 N THR A 12 -3.495 -11.183 5.498 1.00 9.63 N ATOM 191 CA THR A 12 -2.221 -10.565 5.066 1.00 9.85 C ATOM 192 C THR A 12 -1.850 -11.072 3.716 1.00 11.66 C ATOM 193 O THR A 12 -1.685 -12.283 3.477 1.00 12.33 O ATOM 194 CB THR A 12 -1.082 -10.916 5.934 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.293 -10.466 7.282 1.00 10.91 O ATOM 196 CG2 THR A 12 0.145 -10.078 5.456 1.00 9.63 C ATOM 0 H THR A 12 -3.470 -12.203 5.498 1.00 9.63 H new ATOM 0 HA THR A 12 -2.395 -9.489 5.094 1.00 9.85 H new ATOM 0 HB THR A 12 -0.950 -11.997 5.891 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.522 -10.714 7.834 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.010 -10.312 6.077 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.368 -10.320 4.417 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.085 -9.016 5.540 1.00 9.63 H new ATOM 204 N ILE A 13 -1.761 -10.116 2.770 1.00 10.42 N ATOM 205 CA ILE A 13 -1.445 -10.472 1.408 1.00 11.84 C ATOM 206 C ILE A 13 -0.052 -9.998 1.208 1.00 10.55 C ATOM 207 O ILE A 13 0.409 -9.228 2.067 1.00 11.92 O ATOM 208 CB ILE A 13 -2.388 -9.847 0.298 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.284 -8.290 0.100 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.814 -10.406 0.479 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.122 -7.709 -1.011 1.00 16.46 C ATOM 0 H ILE A 13 -1.903 -9.120 2.936 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.584 -11.546 1.286 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.018 -10.174 -0.674 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.567 -7.805 1.034 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.241 -8.036 -0.087 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.470 -9.981 -0.281 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.795 -11.491 0.377 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.186 -10.141 1.469 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.971 -6.630 -1.055 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.827 -8.155 -1.961 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.174 -7.921 -0.822 1.00 16.46 H new ATOM 223 N THR A 14 0.603 -10.545 0.221 1.00 9.39 N ATOM 224 CA THR A 14 1.967 -10.364 -0.059 1.00 9.63 C ATOM 225 C THR A 14 1.887 -9.809 -1.459 1.00 11.20 C ATOM 226 O THR A 14 0.911 -9.984 -2.178 1.00 11.63 O ATOM 227 CB THR A 14 2.755 -11.691 -0.092 1.00 10.38 C ATOM 228 OG1 THR A 14 2.719 -12.363 1.142 1.00 16.30 O ATOM 229 CG2 THR A 14 4.248 -11.353 -0.401 1.00 11.66 C ATOM 0 H THR A 14 0.149 -11.170 -0.445 1.00 9.39 H new ATOM 0 HA THR A 14 2.476 -9.750 0.684 1.00 9.63 H new ATOM 0 HB THR A 14 2.303 -12.334 -0.847 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.229 -13.197 1.075 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.831 -12.274 -0.431 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.315 -10.850 -1.366 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.642 -10.699 0.377 1.00 11.66 H new ATOM 237 N LEU A 15 2.895 -9.031 -1.896 1.00 8.29 N ATOM 238 CA LEU A 15 2.977 -8.405 -3.217 1.00 9.03 C ATOM 239 C LEU A 15 4.474 -8.372 -3.688 1.00 8.59 C ATOM 240 O LEU A 15 5.381 -8.512 -2.873 1.00 7.79 O ATOM 241 CB LEU A 15 2.505 -6.923 -3.208 1.00 11.08 C ATOM 242 CG LEU A 15 1.097 -6.617 -2.737 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.956 -5.144 -2.682 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.075 -7.179 -3.781 1.00 15.27 C ATOM 0 H LEU A 15 3.703 -8.817 -1.311 1.00 8.29 H new ATOM 0 HA LEU A 15 2.336 -8.994 -3.873 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.195 -6.359 -2.580 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.607 -6.536 -4.222 1.00 11.08 H new ATOM 0 HG LEU A 15 0.910 -7.067 -1.762 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.048 -4.887 -2.346 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.688 -4.734 -1.986 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.125 -4.725 -3.674 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.940 -6.963 -3.449 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.248 -6.709 -4.749 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.205 -8.257 -3.873 1.00 15.27 H new ATOM 256 N GLU A 16 4.690 -8.251 -5.031 1.00 11.04 N ATOM 257 CA GLU A 16 5.985 -8.131 -5.608 1.00 11.50 C ATOM 258 C GLU A 16 6.086 -6.779 -6.258 1.00 10.13 C ATOM 259 O GLU A 16 5.251 -6.441 -7.087 1.00 9.83 O ATOM 260 CB GLU A 16 6.261 -9.232 -6.658 1.00 17.22 C ATOM 261 CG GLU A 16 7.635 -9.239 -7.471 1.00 23.33 C ATOM 262 CD GLU A 16 8.686 -10.004 -6.732 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.398 -9.488 -5.801 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.865 -11.215 -7.053 1.00 28.90 O ATOM 0 H GLU A 16 3.935 -8.238 -5.717 1.00 11.04 H new ATOM 0 HA GLU A 16 6.728 -8.246 -4.819 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.182 -10.192 -6.148 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.453 -9.192 -7.389 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.479 -9.684 -8.454 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.971 -8.215 -7.634 1.00 23.33 H new ATOM 271 N VAL A 17 7.063 -5.983 -5.896 1.00 8.99 N ATOM 272 CA VAL A 17 7.164 -4.605 -6.175 1.00 8.85 C ATOM 273 C VAL A 17 8.600 -4.379 -6.574 1.00 8.04 C ATOM 274 O VAL A 17 9.482 -5.307 -6.483 1.00 8.99 O ATOM 275 CB VAL A 17 6.774 -3.706 -4.999 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.283 -3.886 -4.607 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.626 -3.959 -3.831 1.00 10.54 C ATOM 0 H VAL A 17 7.859 -6.326 -5.359 1.00 8.99 H new ATOM 0 HA VAL A 17 6.461 -4.335 -6.963 1.00 8.85 H new ATOM 0 HB VAL A 17 6.921 -2.677 -5.328 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.046 -3.231 -3.769 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.650 -3.631 -5.457 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.105 -4.922 -4.319 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.325 -3.305 -3.012 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.521 -4.999 -3.522 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.666 -3.761 -4.090 1.00 10.54 H new ATOM 287 N GLU A 18 8.902 -3.099 -7.013 1.00 7.29 N ATOM 288 CA GLU A 18 10.180 -2.579 -7.306 1.00 7.08 C ATOM 289 C GLU A 18 10.321 -1.274 -6.499 1.00 6.45 C ATOM 290 O GLU A 18 9.325 -0.636 -6.354 1.00 5.28 O ATOM 291 CB GLU A 18 10.369 -2.312 -8.835 1.00 10.28 C ATOM 292 CG GLU A 18 10.681 -3.553 -9.689 1.00 12.65 C ATOM 293 CD GLU A 18 11.987 -4.168 -9.235 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.971 -3.423 -9.249 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.989 -5.329 -8.825 1.00 14.33 O ATOM 0 H GLU A 18 8.168 -2.406 -7.162 1.00 7.29 H new ATOM 0 HA GLU A 18 10.950 -3.300 -7.032 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.462 -1.846 -9.220 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.177 -1.591 -8.963 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.874 -4.281 -9.599 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.745 -3.276 -10.741 1.00 12.65 H new ATOM 302 N PRO A 19 11.464 -0.829 -6.027 1.00 7.24 N ATOM 303 CA PRO A 19 11.504 0.267 -5.040 1.00 7.07 C ATOM 304 C PRO A 19 11.254 1.594 -5.692 1.00 6.65 C ATOM 305 O PRO A 19 11.074 2.616 -5.080 1.00 6.37 O ATOM 306 CB PRO A 19 12.937 0.107 -4.504 1.00 7.61 C ATOM 307 CG PRO A 19 13.719 -0.517 -5.631 1.00 8.16 C ATOM 308 CD PRO A 19 12.743 -1.518 -6.232 1.00 7.49 C ATOM 0 HA PRO A 19 10.743 0.228 -4.261 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.360 1.070 -4.219 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.956 -0.525 -3.616 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.031 0.228 -6.363 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.623 -1.006 -5.269 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.944 -1.706 -7.287 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.777 -2.482 -5.724 1.00 7.49 H new ATOM 316 N SER A 20 11.344 1.609 -7.020 1.00 6.80 N ATOM 317 CA SER A 20 11.074 2.810 -7.863 1.00 6.28 C ATOM 318 C SER A 20 9.532 2.942 -8.180 1.00 8.45 C ATOM 319 O SER A 20 9.155 3.956 -8.728 1.00 7.26 O ATOM 320 CB SER A 20 11.774 2.644 -9.246 1.00 8.57 C ATOM 321 OG SER A 20 11.495 1.331 -9.859 1.00 11.13 O ATOM 0 H SER A 20 11.608 0.787 -7.563 1.00 6.80 H new ATOM 0 HA SER A 20 11.437 3.679 -7.314 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.440 3.435 -9.918 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.850 2.764 -9.123 1.00 8.57 H new ATOM 0 HG SER A 20 11.951 1.270 -10.724 1.00 11.13 H new ATOM 327 N ASP A 21 8.728 1.849 -7.847 1.00 7.50 N ATOM 328 CA ASP A 21 7.280 1.871 -7.919 1.00 7.70 C ATOM 329 C ASP A 21 6.804 2.999 -6.911 1.00 7.08 C ATOM 330 O ASP A 21 7.396 3.239 -5.833 1.00 8.11 O ATOM 331 CB ASP A 21 6.621 0.590 -7.435 1.00 11.00 C ATOM 332 CG ASP A 21 6.735 -0.536 -8.430 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.009 -0.351 -9.623 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.538 -1.714 -7.967 1.00 18.03 O ATOM 0 H ASP A 21 9.107 0.957 -7.529 1.00 7.50 H new ATOM 0 HA ASP A 21 7.005 2.024 -8.963 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.078 0.285 -6.494 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.568 0.783 -7.230 1.00 11.00 H new ATOM 339 N THR A 22 5.698 3.686 -7.292 1.00 5.37 N ATOM 340 CA THR A 22 4.946 4.528 -6.320 1.00 6.01 C ATOM 341 C THR A 22 4.078 3.767 -5.397 1.00 8.01 C ATOM 342 O THR A 22 3.722 2.637 -5.518 1.00 8.11 O ATOM 343 CB THR A 22 4.222 5.713 -6.966 1.00 8.92 C ATOM 344 OG1 THR A 22 3.285 5.171 -7.892 1.00 10.22 O ATOM 345 CG2 THR A 22 5.155 6.591 -7.778 1.00 9.65 C ATOM 0 H THR A 22 5.313 3.678 -8.237 1.00 5.37 H new ATOM 0 HA THR A 22 5.724 4.958 -5.689 1.00 6.01 H new ATOM 0 HB THR A 22 3.775 6.311 -6.172 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.912 5.893 -8.440 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.591 7.416 -8.214 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.936 6.988 -7.130 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.609 6.001 -8.574 1.00 9.65 H new ATOM 353 N ILE A 23 3.615 4.555 -4.385 1.00 8.32 N ATOM 354 CA ILE A 23 2.602 4.135 -3.463 1.00 9.92 C ATOM 355 C ILE A 23 1.306 3.827 -4.206 1.00 10.01 C ATOM 356 O ILE A 23 0.651 2.821 -3.926 1.00 8.71 O ATOM 357 CB ILE A 23 2.277 5.095 -2.346 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.543 5.566 -1.594 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.202 4.539 -1.384 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.478 4.465 -1.097 1.00 12.30 C ATOM 0 H ILE A 23 3.958 5.500 -4.213 1.00 8.32 H new ATOM 0 HA ILE A 23 3.036 3.254 -2.991 1.00 9.92 H new ATOM 0 HB ILE A 23 1.844 5.978 -2.816 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.108 6.225 -2.253 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.231 6.164 -0.738 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.005 5.268 -0.598 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.284 4.345 -1.938 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.559 3.611 -0.937 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.330 4.914 -0.586 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.941 3.816 -0.405 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.832 3.878 -1.945 1.00 12.30 H new ATOM 372 N GLU A 24 0.956 4.648 -5.234 1.00 9.54 N ATOM 373 CA GLU A 24 -0.087 4.397 -6.219 1.00 11.81 C ATOM 374 C GLU A 24 0.044 3.007 -6.943 1.00 11.14 C ATOM 375 O GLU A 24 -0.923 2.289 -7.152 1.00 10.62 O ATOM 376 CB GLU A 24 -0.101 5.591 -7.244 1.00 19.24 C ATOM 377 CG GLU A 24 -0.959 5.320 -8.517 1.00 27.76 C ATOM 378 CD GLU A 24 -1.349 6.571 -9.276 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.451 7.297 -9.828 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.586 6.802 -9.439 1.00 34.80 O ATOM 0 H GLU A 24 1.427 5.540 -5.389 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.040 4.340 -5.694 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.481 6.482 -6.744 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.923 5.809 -7.547 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.403 4.662 -9.184 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.864 4.787 -8.226 1.00 27.76 H new ATOM 387 N ASN A 25 1.230 2.486 -7.278 1.00 9.43 N ATOM 388 CA ASN A 25 1.405 1.187 -7.965 1.00 10.96 C ATOM 389 C ASN A 25 1.136 0.039 -7.062 1.00 9.68 C ATOM 390 O ASN A 25 0.462 -0.891 -7.426 1.00 9.33 O ATOM 391 CB ASN A 25 2.771 1.219 -8.688 1.00 16.78 C ATOM 392 CG ASN A 25 2.850 0.189 -9.835 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.887 -0.718 -9.908 1.00 25.66 O flip ATOM 394 ND2 ASN A 25 2.024 0.187 -10.751 1.00 24.70 N flip ATOM 0 H ASN A 25 2.113 2.957 -7.079 1.00 9.43 H new ATOM 0 HA ASN A 25 0.656 1.026 -8.740 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.945 2.218 -9.087 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.565 1.020 -7.969 1.00 16.78 H new ATOM 0 HD21 ASN A 25 1.242 0.842 -10.734 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.123 -0.470 -11.525 1.00 24.70 H new ATOM 401 N VAL A 26 1.519 0.200 -5.788 1.00 6.52 N ATOM 402 CA VAL A 26 1.149 -0.720 -4.780 1.00 5.53 C ATOM 403 C VAL A 26 -0.384 -0.729 -4.582 1.00 4.42 C ATOM 404 O VAL A 26 -0.832 -1.879 -4.360 1.00 3.40 O ATOM 405 CB VAL A 26 1.838 -0.408 -3.460 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.361 -1.436 -2.464 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.334 -0.548 -3.632 1.00 8.12 C ATOM 0 H VAL A 26 2.091 0.978 -5.459 1.00 6.52 H new ATOM 0 HA VAL A 26 1.471 -1.708 -5.109 1.00 5.53 H new ATOM 0 HB VAL A 26 1.610 0.605 -3.128 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.831 -1.252 -1.498 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.278 -1.367 -2.360 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.629 -2.433 -2.813 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.831 -0.325 -2.688 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.572 -1.568 -3.935 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.679 0.148 -4.397 1.00 8.12 H new ATOM 417 N LYS A 27 -1.176 0.379 -4.785 1.00 2.64 N ATOM 418 CA LYS A 27 -2.591 0.265 -4.900 1.00 4.14 C ATOM 419 C LYS A 27 -3.147 -0.524 -6.111 1.00 5.58 C ATOM 420 O LYS A 27 -4.114 -1.271 -6.017 1.00 4.11 O ATOM 421 CB LYS A 27 -3.318 1.651 -4.870 1.00 3.97 C ATOM 422 CG LYS A 27 -2.925 2.534 -3.680 1.00 7.45 C ATOM 423 CD LYS A 27 -3.535 3.901 -3.632 1.00 9.02 C ATOM 424 CE LYS A 27 -3.184 4.669 -2.333 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.035 5.799 -2.209 1.00 15.47 N ATOM 0 H LYS A 27 -0.819 1.331 -4.865 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.812 -0.328 -4.013 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.098 2.185 -5.794 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.395 1.485 -4.846 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.192 2.009 -2.763 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.841 2.644 -3.680 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.194 4.477 -4.493 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.618 3.814 -3.716 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.300 4.016 -1.468 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.141 4.986 -2.355 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.790 6.325 -1.346 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.915 6.416 -3.037 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.024 5.484 -2.152 1.00 15.47 H new ATOM 439 N ALA A 28 -2.535 -0.394 -7.316 1.00 6.61 N ATOM 440 CA ALA A 28 -2.832 -1.193 -8.515 1.00 7.74 C ATOM 441 C ALA A 28 -2.690 -2.696 -8.313 1.00 9.17 C ATOM 442 O ALA A 28 -3.485 -3.488 -8.732 1.00 11.45 O ATOM 443 CB ALA A 28 -1.983 -0.678 -9.697 1.00 7.68 C ATOM 0 H ALA A 28 -1.799 0.294 -7.476 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.889 -1.055 -8.743 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.202 -1.269 -10.587 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.222 0.368 -9.888 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.925 -0.769 -9.452 1.00 7.68 H new ATOM 449 N LYS A 29 -1.606 -3.065 -7.601 1.00 8.96 N ATOM 450 CA LYS A 29 -1.216 -4.431 -7.283 1.00 7.90 C ATOM 451 C LYS A 29 -2.067 -5.081 -6.281 1.00 6.92 C ATOM 452 O LYS A 29 -2.487 -6.259 -6.430 1.00 6.87 O ATOM 453 CB LYS A 29 0.276 -4.448 -6.823 1.00 10.28 C ATOM 454 CG LYS A 29 1.324 -4.435 -7.984 1.00 14.94 C ATOM 455 CD LYS A 29 2.746 -4.272 -7.363 1.00 19.69 C ATOM 456 CE LYS A 29 3.781 -3.833 -8.448 1.00 22.63 C ATOM 457 NZ LYS A 29 3.791 -4.746 -9.670 1.00 24.98 N ATOM 0 H LYS A 29 -0.956 -2.378 -7.220 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.345 -5.013 -8.196 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.454 -3.583 -6.183 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.443 -5.336 -6.213 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.265 -5.359 -8.558 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.116 -3.617 -8.674 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.715 -3.532 -6.563 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.061 -5.214 -6.914 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.556 -2.815 -8.765 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.777 -3.817 -8.006 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.554 -4.455 -10.315 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.949 -5.729 -9.368 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.877 -4.678 -10.162 1.00 24.98 H new ATOM 471 N ILE A 30 -2.499 -4.247 -5.335 1.00 4.57 N ATOM 472 CA ILE A 30 -3.611 -4.556 -4.358 1.00 5.58 C ATOM 473 C ILE A 30 -4.924 -4.704 -5.128 1.00 7.26 C ATOM 474 O ILE A 30 -5.623 -5.683 -4.891 1.00 9.46 O ATOM 475 CB ILE A 30 -3.764 -3.524 -3.285 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.558 -3.552 -2.412 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.075 -3.629 -2.435 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.414 -2.538 -1.296 1.00 2.00 C ATOM 0 H ILE A 30 -2.099 -3.318 -5.201 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.348 -5.486 -3.853 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.857 -2.565 -3.795 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.506 -4.543 -1.960 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.686 -3.451 -3.058 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.088 -2.837 -1.687 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.941 -3.525 -3.088 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.109 -4.598 -1.938 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.477 -2.710 -0.767 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.414 -1.532 -1.716 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.247 -2.641 -0.601 1.00 2.00 H new ATOM 490 N GLN A 31 -5.206 -3.786 -6.061 1.00 7.06 N ATOM 491 CA GLN A 31 -6.459 -3.866 -6.909 1.00 8.67 C ATOM 492 C GLN A 31 -6.482 -5.155 -7.643 1.00 10.90 C ATOM 493 O GLN A 31 -7.491 -5.855 -7.608 1.00 9.63 O ATOM 494 CB GLN A 31 -6.632 -2.613 -7.918 1.00 9.12 C ATOM 495 CG GLN A 31 -7.988 -2.689 -8.700 1.00 10.76 C ATOM 496 CD GLN A 31 -8.278 -1.527 -9.604 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.396 -1.014 -9.628 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.312 -1.149 -10.477 1.00 14.76 N ATOM 0 H GLN A 31 -4.611 -2.983 -6.265 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.312 -3.816 -6.233 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.588 -1.681 -7.354 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.803 -2.597 -8.626 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.993 -3.601 -9.297 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.800 -2.776 -7.978 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.392 -1.587 -10.440 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.506 -0.427 -11.171 1.00 14.76 H new ATOM 507 N ASP A 32 -5.354 -5.464 -8.291 1.00 10.93 N ATOM 508 CA ASP A 32 -5.258 -6.629 -9.107 1.00 14.01 C ATOM 509 C ASP A 32 -5.404 -8.008 -8.350 1.00 14.04 C ATOM 510 O ASP A 32 -6.152 -8.884 -8.732 1.00 13.39 O ATOM 511 CB ASP A 32 -3.974 -6.429 -9.941 1.00 18.01 C ATOM 512 CG ASP A 32 -3.973 -7.355 -11.119 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.918 -7.321 -11.880 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.949 -8.120 -11.231 1.00 25.17 O ATOM 0 H ASP A 32 -4.502 -4.905 -8.251 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.122 -6.724 -9.765 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.910 -5.396 -10.281 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.097 -6.616 -9.322 1.00 18.01 H new ATOM 519 N LYS A 33 -4.812 -8.101 -7.197 1.00 14.22 N ATOM 520 CA LYS A 33 -4.869 -9.302 -6.409 1.00 14.00 C ATOM 521 C LYS A 33 -6.156 -9.557 -5.723 1.00 12.37 C ATOM 522 O LYS A 33 -6.716 -10.650 -5.717 1.00 12.17 O ATOM 523 CB LYS A 33 -3.635 -9.300 -5.495 1.00 18.62 C ATOM 524 CG LYS A 33 -3.552 -10.621 -4.664 1.00 24.00 C ATOM 525 CD LYS A 33 -2.226 -11.036 -3.968 1.00 27.61 C ATOM 526 CE LYS A 33 -1.032 -11.233 -4.920 1.00 27.64 C ATOM 527 NZ LYS A 33 0.216 -11.584 -4.308 1.00 30.06 N ATOM 0 H LYS A 33 -4.274 -7.346 -6.773 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.835 -10.166 -7.073 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.733 -9.187 -6.096 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.678 -8.444 -4.821 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.316 -10.562 -3.889 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.835 -11.437 -5.329 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.965 -10.275 -3.232 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.394 -11.964 -3.421 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.292 -12.011 -5.638 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.889 -10.312 -5.485 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.994 -11.396 -4.972 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.352 -11.017 -3.447 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.209 -12.594 -4.060 1.00 30.06 H new ATOM 541 N GLU A 34 -6.700 -8.495 -5.076 1.00 10.11 N ATOM 542 CA GLU A 34 -7.866 -8.629 -4.143 1.00 10.07 C ATOM 543 C GLU A 34 -9.105 -7.841 -4.559 1.00 9.32 C ATOM 544 O GLU A 34 -10.115 -7.860 -3.868 1.00 11.61 O ATOM 545 CB GLU A 34 -7.351 -8.126 -2.799 1.00 14.77 C ATOM 546 CG GLU A 34 -6.389 -9.061 -2.017 1.00 18.75 C ATOM 547 CD GLU A 34 -6.962 -10.361 -1.639 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.015 -10.461 -0.928 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.300 -11.353 -2.066 1.00 25.19 O ATOM 0 H GLU A 34 -6.358 -7.539 -5.177 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.202 -9.666 -4.128 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.840 -7.178 -2.966 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.211 -7.917 -2.163 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.501 -9.235 -2.624 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.062 -8.548 -1.113 1.00 18.75 H new ATOM 556 N GLY A 35 -9.078 -7.096 -5.640 1.00 7.22 N ATOM 557 CA GLY A 35 -10.259 -6.451 -6.187 1.00 6.29 C ATOM 558 C GLY A 35 -10.780 -5.207 -5.450 1.00 6.93 C ATOM 559 O GLY A 35 -11.983 -5.124 -5.283 1.00 7.41 O ATOM 0 H GLY A 35 -8.228 -6.916 -6.174 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.044 -6.169 -7.218 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.062 -7.187 -6.219 1.00 6.29 H new ATOM 563 N ILE A 36 -9.891 -4.331 -5.021 1.00 5.86 N ATOM 564 CA ILE A 36 -10.179 -3.169 -4.161 1.00 6.07 C ATOM 565 C ILE A 36 -9.886 -1.959 -5.021 1.00 6.36 C ATOM 566 O ILE A 36 -8.725 -1.810 -5.294 1.00 6.18 O ATOM 567 CB ILE A 36 -9.334 -3.094 -2.872 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.432 -4.469 -2.197 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.840 -1.951 -2.053 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.576 -4.628 -0.861 1.00 9.49 C ATOM 0 H ILE A 36 -8.903 -4.401 -5.265 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.210 -3.235 -3.813 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.276 -2.894 -3.042 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.478 -4.670 -1.966 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.111 -5.230 -2.909 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.258 -1.876 -1.134 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.743 -1.026 -2.621 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.889 -2.117 -1.806 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.711 -5.632 -0.460 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.521 -4.465 -1.083 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.910 -3.896 -0.126 1.00 9.49 H new ATOM 582 N PRO A 37 -10.811 -1.079 -5.375 1.00 8.65 N ATOM 583 CA PRO A 37 -10.550 0.182 -6.047 1.00 9.18 C ATOM 584 C PRO A 37 -9.503 1.069 -5.313 1.00 9.85 C ATOM 585 O PRO A 37 -9.665 1.390 -4.146 1.00 8.51 O ATOM 586 CB PRO A 37 -11.937 0.918 -6.213 1.00 11.42 C ATOM 587 CG PRO A 37 -12.947 -0.145 -6.026 1.00 9.27 C ATOM 588 CD PRO A 37 -12.245 -1.125 -5.014 1.00 8.33 C ATOM 0 HA PRO A 37 -10.098 -0.015 -7.019 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.055 1.712 -5.475 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.025 1.381 -7.196 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.880 0.251 -5.624 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.190 -0.641 -6.966 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.404 -0.809 -3.983 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.643 -2.136 -5.102 1.00 8.33 H new ATOM 596 N PRO A 38 -8.409 1.513 -5.993 1.00 8.71 N ATOM 597 CA PRO A 38 -7.475 2.539 -5.456 1.00 9.08 C ATOM 598 C PRO A 38 -8.069 3.775 -4.819 1.00 9.28 C ATOM 599 O PRO A 38 -7.479 4.272 -3.883 1.00 6.50 O ATOM 600 CB PRO A 38 -6.620 2.857 -6.651 1.00 10.31 C ATOM 601 CG PRO A 38 -6.586 1.577 -7.470 1.00 10.81 C ATOM 602 CD PRO A 38 -7.984 1.001 -7.288 1.00 12.00 C ATOM 0 HA PRO A 38 -6.943 2.140 -4.592 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -7.040 3.682 -7.227 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.617 3.157 -6.348 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.368 1.777 -8.519 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.819 0.891 -7.111 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.655 1.323 -8.084 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.972 -0.089 -7.302 1.00 12.00 H new ATOM 610 N ASP A 39 -9.199 4.263 -5.312 1.00 11.20 N ATOM 611 CA ASP A 39 -9.887 5.457 -4.825 1.00 14.96 C ATOM 612 C ASP A 39 -10.401 5.187 -3.363 1.00 13.99 C ATOM 613 O ASP A 39 -10.521 6.099 -2.499 1.00 13.75 O ATOM 614 CB ASP A 39 -10.991 5.925 -5.815 1.00 24.16 C ATOM 615 CG ASP A 39 -11.529 7.303 -5.504 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.668 8.234 -5.215 1.00 34.22 O ATOM 617 OD2 ASP A 39 -12.791 7.402 -5.358 1.00 35.55 O ATOM 0 H ASP A 39 -9.683 3.822 -6.094 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.195 6.298 -4.776 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.587 5.920 -6.827 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.813 5.209 -5.797 1.00 24.16 H new ATOM 622 N GLN A 40 -10.551 3.895 -2.977 1.00 11.60 N ATOM 623 CA GLN A 40 -11.016 3.448 -1.673 1.00 10.76 C ATOM 624 C GLN A 40 -9.840 3.130 -0.746 1.00 8.01 C ATOM 625 O GLN A 40 -9.885 3.221 0.471 1.00 8.96 O ATOM 626 CB GLN A 40 -11.819 2.076 -1.836 1.00 11.14 C ATOM 627 CG GLN A 40 -12.795 1.713 -0.687 1.00 14.85 C ATOM 628 CD GLN A 40 -13.539 0.383 -0.821 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.274 -0.534 -0.038 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.448 0.176 -1.791 1.00 18.16 N ATOM 0 H GLN A 40 -10.338 3.118 -3.603 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.632 4.247 -1.260 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.386 2.119 -2.766 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.097 1.267 -1.940 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.233 1.697 0.247 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.533 2.510 -0.601 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.676 0.925 -2.444 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.909 -0.730 -1.873 1.00 18.16 H new ATOM 639 N GLN A 41 -8.752 2.679 -1.375 1.00 6.52 N ATOM 640 CA GLN A 41 -7.550 2.450 -0.668 1.00 3.87 C ATOM 641 C GLN A 41 -6.855 3.688 -0.121 1.00 4.79 C ATOM 642 O GLN A 41 -6.690 4.701 -0.768 1.00 6.34 O ATOM 643 CB GLN A 41 -6.513 1.730 -1.547 1.00 4.20 C ATOM 644 CG GLN A 41 -7.036 0.407 -2.109 1.00 3.20 C ATOM 645 CD GLN A 41 -6.025 -0.271 -2.924 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.890 -0.377 -2.474 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.379 -0.817 -4.120 1.00 7.13 N ATOM 0 H GLN A 41 -8.707 2.474 -2.373 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.883 1.847 0.177 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.225 2.382 -2.371 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.614 1.541 -0.961 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.338 -0.243 -1.288 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.925 0.593 -2.712 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.332 -0.711 -4.467 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.691 -1.332 -4.669 1.00 7.13 H new ATOM 656 N ARG A 42 -6.273 3.544 1.096 1.00 5.73 N ATOM 657 CA ARG A 42 -5.229 4.343 1.606 1.00 6.97 C ATOM 658 C ARG A 42 -4.253 3.438 2.257 1.00 7.15 C ATOM 659 O ARG A 42 -4.594 2.483 2.889 1.00 7.33 O ATOM 660 CB ARG A 42 -5.687 5.365 2.696 1.00 13.23 C ATOM 661 CG ARG A 42 -4.563 6.260 3.142 1.00 21.27 C ATOM 662 CD ARG A 42 -4.988 7.407 4.073 1.00 26.14 C ATOM 663 NE ARG A 42 -5.768 8.317 3.261 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.321 9.418 3.685 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.266 9.856 4.911 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.063 10.123 2.814 1.00 36.39 N ATOM 0 H ARG A 42 -6.564 2.818 1.750 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.824 4.909 0.767 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.500 5.974 2.302 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.082 4.824 3.556 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -3.814 5.654 3.652 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.083 6.684 2.260 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -5.576 7.031 4.911 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.117 7.910 4.494 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.895 8.077 2.278 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -5.761 9.324 5.620 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.728 10.730 5.161 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.178 9.791 1.856 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.511 10.990 3.111 1.00 36.39 H new ATOM 680 N LEU A 43 -2.924 3.796 2.140 1.00 4.65 N ATOM 681 CA LEU A 43 -1.915 2.966 2.768 1.00 3.51 C ATOM 682 C LEU A 43 -1.211 3.673 3.964 1.00 5.56 C ATOM 683 O LEU A 43 -1.040 4.938 3.999 1.00 4.19 O ATOM 684 CB LEU A 43 -0.792 2.522 1.722 1.00 3.74 C ATOM 685 CG LEU A 43 -1.458 1.677 0.552 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.614 1.469 -0.663 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.030 0.358 1.136 1.00 6.41 C ATOM 0 H LEU A 43 -2.575 4.613 1.639 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.450 2.093 3.141 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.295 3.401 1.312 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.028 1.928 2.224 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.273 2.283 0.156 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.168 0.881 -1.394 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.355 2.435 -1.096 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.297 0.939 -0.386 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.488 -0.225 0.337 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.224 -0.219 1.590 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.780 0.590 1.892 1.00 6.41 H new ATOM 699 N ILE A 44 -0.790 2.868 4.931 1.00 4.58 N ATOM 700 CA ILE A 44 -0.147 3.209 6.156 1.00 5.55 C ATOM 701 C ILE A 44 1.142 2.379 6.242 1.00 5.46 C ATOM 702 O ILE A 44 1.176 1.204 5.951 1.00 6.04 O ATOM 703 CB ILE A 44 -1.041 2.987 7.401 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.276 3.908 7.158 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.208 3.410 8.693 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.262 3.898 8.336 1.00 13.90 C ATOM 0 H ILE A 44 -0.912 1.859 4.850 1.00 4.58 H new ATOM 0 HA ILE A 44 0.072 4.277 6.156 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.359 1.956 7.555 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.935 4.928 6.983 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.793 3.586 6.254 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.818 3.262 9.584 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.691 2.797 8.763 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.074 4.460 8.617 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.102 4.556 8.113 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.628 2.884 8.496 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.757 4.247 9.236 1.00 13.90 H new ATOM 718 N PHE A 45 2.321 3.007 6.695 1.00 6.75 N ATOM 719 CA PHE A 45 3.505 2.284 6.972 1.00 4.70 C ATOM 720 C PHE A 45 4.250 2.927 8.115 1.00 6.34 C ATOM 721 O PHE A 45 4.605 4.134 8.119 1.00 5.45 O ATOM 722 CB PHE A 45 4.318 2.107 5.640 1.00 5.51 C ATOM 723 CG PHE A 45 5.786 1.545 5.873 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.933 0.156 6.237 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.832 2.435 6.099 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.152 -0.295 6.684 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.071 1.930 6.471 1.00 6.64 C ATOM 728 CZ PHE A 45 8.266 0.576 6.759 1.00 6.84 C ATOM 0 H PHE A 45 2.401 4.012 6.852 1.00 6.75 H new ATOM 0 HA PHE A 45 3.291 1.274 7.322 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.777 1.430 4.979 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.381 3.068 5.130 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.095 -0.521 6.159 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.683 3.499 5.987 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.262 -1.327 6.982 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.911 2.605 6.540 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.242 0.203 7.032 1.00 6.84 H new ATOM 738 N ALA A 46 4.624 2.172 9.164 1.00 6.53 N ATOM 739 CA ALA A 46 5.266 2.626 10.348 1.00 7.15 C ATOM 740 C ALA A 46 4.407 3.717 11.072 1.00 9.00 C ATOM 741 O ALA A 46 4.897 4.680 11.535 1.00 11.15 O ATOM 742 CB ALA A 46 6.743 3.106 10.174 1.00 8.99 C ATOM 0 H ALA A 46 4.461 1.165 9.179 1.00 6.53 H new ATOM 0 HA ALA A 46 5.338 1.737 10.974 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.136 3.430 11.138 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.350 2.285 9.792 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.775 3.938 9.470 1.00 8.99 H new ATOM 748 N GLY A 47 3.109 3.563 11.059 1.00 9.35 N ATOM 749 CA GLY A 47 2.152 4.516 11.674 1.00 11.68 C ATOM 750 C GLY A 47 1.792 5.677 10.811 1.00 11.14 C ATOM 751 O GLY A 47 0.876 6.431 11.132 1.00 13.93 O ATOM 0 H GLY A 47 2.654 2.764 10.618 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.241 3.978 11.935 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.579 4.890 12.604 1.00 11.68 H new ATOM 755 N LYS A 48 2.503 5.864 9.682 1.00 10.47 N ATOM 756 CA LYS A 48 2.394 7.036 8.820 1.00 8.82 C ATOM 757 C LYS A 48 1.556 6.770 7.557 1.00 7.68 C ATOM 758 O LYS A 48 1.826 5.792 6.805 1.00 6.47 O ATOM 759 CB LYS A 48 3.796 7.407 8.203 1.00 9.74 C ATOM 760 CG LYS A 48 4.811 7.681 9.307 1.00 14.14 C ATOM 761 CD LYS A 48 6.130 8.126 8.704 1.00 16.32 C ATOM 762 CE LYS A 48 6.935 6.943 8.116 1.00 20.04 C ATOM 763 NZ LYS A 48 8.344 7.358 7.958 1.00 23.92 N ATOM 0 H LYS A 48 3.183 5.183 9.344 1.00 10.47 H new ATOM 0 HA LYS A 48 1.960 7.802 9.463 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.149 6.592 7.571 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.698 8.285 7.565 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.431 8.451 9.978 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.961 6.782 9.905 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.940 8.859 7.920 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.727 8.625 9.468 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.868 6.077 8.774 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.519 6.645 7.154 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.896 6.570 7.563 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.396 8.174 7.315 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.734 7.623 8.885 1.00 23.92 H new ATOM 777 N GLN A 49 0.537 7.637 7.326 1.00 8.89 N ATOM 778 CA GLN A 49 -0.170 7.665 6.027 1.00 7.18 C ATOM 779 C GLN A 49 0.770 8.185 4.894 1.00 8.23 C ATOM 780 O GLN A 49 1.643 9.011 5.074 1.00 9.70 O ATOM 781 CB GLN A 49 -1.338 8.684 6.073 1.00 11.67 C ATOM 782 CG GLN A 49 -2.480 8.120 7.018 1.00 15.82 C ATOM 783 CD GLN A 49 -3.619 9.064 7.236 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.748 8.785 6.800 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.369 10.158 7.961 1.00 20.67 N ATOM 0 H GLN A 49 0.194 8.312 8.010 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.512 6.648 5.836 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.984 9.646 6.444 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.729 8.853 5.070 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.866 7.195 6.590 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.044 7.866 7.984 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.424 10.343 8.296 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.124 10.809 8.179 1.00 20.67 H new ATOM 794 N LEU A 50 0.566 7.641 3.706 1.00 6.51 N ATOM 795 CA LEU A 50 1.511 7.764 2.531 1.00 7.41 C ATOM 796 C LEU A 50 0.899 8.511 1.325 1.00 8.27 C ATOM 797 O LEU A 50 -0.233 8.213 0.945 1.00 8.34 O ATOM 798 CB LEU A 50 1.960 6.327 2.011 1.00 7.13 C ATOM 799 CG LEU A 50 2.487 5.375 3.110 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.619 3.936 2.570 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.766 5.847 3.727 1.00 9.11 C ATOM 0 H LEU A 50 -0.263 7.087 3.494 1.00 6.51 H new ATOM 0 HA LEU A 50 2.358 8.337 2.910 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.112 5.854 1.516 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.737 6.455 1.258 1.00 7.13 H new ATOM 0 HG LEU A 50 1.747 5.377 3.910 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.991 3.284 3.360 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.644 3.582 2.236 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.315 3.924 1.732 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.085 5.138 4.491 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.535 5.923 2.958 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.611 6.825 4.183 1.00 9.11 H new ATOM 813 N GLU A 51 1.693 9.404 0.635 1.00 9.43 N ATOM 814 CA GLU A 51 1.240 10.107 -0.574 1.00 11.90 C ATOM 815 C GLU A 51 1.334 9.311 -1.921 1.00 11.49 C ATOM 816 O GLU A 51 2.440 8.789 -2.224 1.00 9.88 O ATOM 817 CB GLU A 51 1.975 11.453 -0.682 1.00 16.56 C ATOM 818 CG GLU A 51 1.804 12.256 0.657 1.00 26.06 C ATOM 819 CD GLU A 51 2.231 13.753 0.483 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.988 14.091 -0.443 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.937 14.565 1.415 1.00 32.13 O ATOM 0 H GLU A 51 2.646 9.638 0.914 1.00 9.43 H new ATOM 0 HA GLU A 51 0.168 10.247 -0.438 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.033 11.286 -0.885 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.577 12.030 -1.517 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.765 12.208 0.982 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.405 11.793 1.440 1.00 26.06 H new ATOM 828 N ASP A 52 0.207 9.094 -2.624 1.00 12.71 N ATOM 829 CA ASP A 52 0.007 8.326 -3.879 1.00 16.56 C ATOM 830 C ASP A 52 1.193 8.344 -4.897 1.00 15.83 C ATOM 831 O ASP A 52 1.642 7.297 -5.335 1.00 17.21 O ATOM 832 CB ASP A 52 -1.279 8.938 -4.491 1.00 21.05 C ATOM 833 CG ASP A 52 -2.442 8.817 -3.504 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.675 9.653 -2.585 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.166 7.873 -3.735 1.00 28.37 O ATOM 0 H ASP A 52 -0.676 9.488 -2.300 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.066 7.263 -3.648 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.110 9.986 -4.739 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.527 8.427 -5.421 1.00 21.05 H new ATOM 840 N GLY A 53 1.689 9.545 -5.242 1.00 15.00 N ATOM 841 CA GLY A 53 2.609 9.812 -6.394 1.00 11.77 C ATOM 842 C GLY A 53 4.111 9.726 -5.975 1.00 11.10 C ATOM 843 O GLY A 53 5.038 9.865 -6.767 1.00 11.25 O ATOM 0 H GLY A 53 1.462 10.391 -4.720 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.413 9.093 -7.189 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.402 10.802 -6.801 1.00 11.77 H new ATOM 847 N ARG A 54 4.415 9.484 -4.668 1.00 8.53 N ATOM 848 CA ARG A 54 5.752 9.333 -4.177 1.00 9.05 C ATOM 849 C ARG A 54 6.226 7.875 -4.256 1.00 8.96 C ATOM 850 O ARG A 54 5.423 6.917 -4.244 1.00 11.60 O ATOM 851 CB ARG A 54 5.968 9.677 -2.716 1.00 7.97 C ATOM 852 CG ARG A 54 5.540 11.043 -2.348 1.00 9.62 C ATOM 853 CD ARG A 54 6.159 11.435 -0.970 1.00 12.20 C ATOM 854 NE ARG A 54 5.433 12.708 -0.415 1.00 18.23 N ATOM 855 CZ ARG A 54 5.874 13.247 0.708 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.842 12.820 1.481 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.164 14.250 1.220 1.00 23.38 N ATOM 0 H ARG A 54 3.704 9.393 -3.942 1.00 8.53 H new ATOM 0 HA ARG A 54 6.295 10.028 -4.818 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.425 8.960 -2.101 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.026 9.563 -2.480 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.855 11.752 -3.114 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.452 11.092 -2.296 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.058 10.609 -0.266 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.226 11.631 -1.081 1.00 12.20 H new ATOM 0 HE ARG A 54 4.638 13.112 -0.910 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.354 11.972 1.236 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.084 13.335 2.327 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.319 14.570 0.747 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.465 14.698 2.086 1.00 23.38 H new ATOM 871 N THR A 55 7.567 7.633 -4.366 1.00 9.05 N ATOM 872 CA THR A 55 8.140 6.290 -4.502 1.00 9.03 C ATOM 873 C THR A 55 8.390 5.540 -3.253 1.00 8.15 C ATOM 874 O THR A 55 8.551 6.162 -2.185 1.00 5.91 O ATOM 875 CB THR A 55 9.353 6.179 -5.343 1.00 11.15 C ATOM 876 OG1 THR A 55 10.446 6.934 -4.848 1.00 11.95 O ATOM 877 CG2 THR A 55 8.994 6.658 -6.724 1.00 11.71 C ATOM 0 H THR A 55 8.267 8.375 -4.361 1.00 9.05 H new ATOM 0 HA THR A 55 7.302 5.823 -5.020 1.00 9.03 H new ATOM 0 HB THR A 55 9.676 5.138 -5.343 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.218 6.345 -4.717 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.868 6.589 -7.372 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.194 6.038 -7.128 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.660 7.694 -6.674 1.00 11.71 H new ATOM 885 N LEU A 56 8.427 4.170 -3.268 1.00 6.91 N ATOM 886 CA LEU A 56 8.647 3.282 -2.111 1.00 8.29 C ATOM 887 C LEU A 56 10.070 3.513 -1.560 1.00 8.05 C ATOM 888 O LEU A 56 10.309 3.516 -0.353 1.00 10.17 O ATOM 889 CB LEU A 56 8.634 1.773 -2.542 1.00 6.60 C ATOM 890 CG LEU A 56 7.339 0.931 -2.630 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.739 -0.377 -3.275 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.684 0.623 -1.275 1.00 8.64 C ATOM 0 H LEU A 56 8.297 3.645 -4.133 1.00 6.91 H new ATOM 0 HA LEU A 56 7.860 3.498 -1.388 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.099 1.729 -3.527 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.297 1.249 -1.853 1.00 6.60 H new ATOM 0 HG LEU A 56 6.599 1.502 -3.191 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.864 -1.020 -3.366 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.152 -0.183 -4.265 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.490 -0.872 -2.659 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.784 0.029 -1.433 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.382 0.064 -0.652 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.421 1.556 -0.778 1.00 8.64 H new ATOM 904 N SER A 57 10.995 3.995 -2.397 1.00 8.92 N ATOM 905 CA SER A 57 12.349 4.456 -2.159 1.00 9.00 C ATOM 906 C SER A 57 12.457 5.754 -1.362 1.00 9.44 C ATOM 907 O SER A 57 13.096 5.775 -0.297 1.00 10.91 O ATOM 908 CB SER A 57 13.233 4.504 -3.431 1.00 10.32 C ATOM 909 OG SER A 57 12.627 5.258 -4.485 1.00 13.59 O ATOM 0 H SER A 57 10.770 4.078 -3.388 1.00 8.92 H new ATOM 0 HA SER A 57 12.755 3.675 -1.517 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.199 4.943 -3.183 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.423 3.488 -3.777 1.00 10.32 H new ATOM 0 HG SER A 57 11.991 4.691 -4.969 1.00 13.59 H new ATOM 915 N ASP A 58 11.641 6.715 -1.730 1.00 9.11 N ATOM 916 CA ASP A 58 11.415 8.039 -1.154 1.00 7.91 C ATOM 917 C ASP A 58 10.921 7.923 0.274 1.00 9.12 C ATOM 918 O ASP A 58 11.278 8.697 1.120 1.00 8.61 O ATOM 919 CB ASP A 58 10.500 8.821 -2.134 1.00 8.41 C ATOM 920 CG ASP A 58 10.421 10.279 -1.745 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.436 10.991 -1.853 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.350 10.780 -1.352 1.00 11.70 O ATOM 0 H ASP A 58 11.040 6.577 -2.543 1.00 9.11 H new ATOM 0 HA ASP A 58 12.334 8.617 -1.053 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.886 8.731 -3.149 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.501 8.385 -2.133 1.00 8.41 H new ATOM 927 N TYR A 59 10.150 6.810 0.588 1.00 7.97 N ATOM 928 CA TYR A 59 9.726 6.579 1.928 1.00 8.45 C ATOM 929 C TYR A 59 10.650 5.637 2.684 1.00 10.98 C ATOM 930 O TYR A 59 10.357 5.330 3.841 1.00 12.95 O ATOM 931 CB TYR A 59 8.333 5.926 1.810 1.00 7.94 C ATOM 932 CG TYR A 59 7.210 6.903 1.780 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.027 7.601 2.914 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.433 7.143 0.648 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.030 8.601 3.009 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.431 8.177 0.690 1.00 6.52 C ATOM 937 CZ TYR A 59 5.263 8.911 1.861 1.00 6.76 C ATOM 938 OH TYR A 59 4.339 9.983 1.832 1.00 7.63 O ATOM 0 H TYR A 59 9.845 6.109 -0.087 1.00 7.97 H new ATOM 0 HA TYR A 59 9.723 7.517 2.482 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.301 5.322 0.903 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.188 5.247 2.650 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.653 7.395 3.769 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.580 6.561 -0.250 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.858 9.118 3.941 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.818 8.380 -0.176 1.00 6.52 H new ATOM 0 HH TYR A 59 4.793 10.798 1.534 1.00 7.63 H new ATOM 948 N ASN A 60 11.724 5.123 2.074 1.00 12.38 N ATOM 949 CA ASN A 60 12.645 4.106 2.662 1.00 13.94 C ATOM 950 C ASN A 60 11.919 2.848 3.189 1.00 14.16 C ATOM 951 O ASN A 60 11.971 2.519 4.395 1.00 14.26 O ATOM 952 CB ASN A 60 13.626 4.712 3.699 1.00 19.23 C ATOM 953 CG ASN A 60 14.418 5.843 3.131 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.162 7.000 3.401 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.493 5.559 2.380 1.00 24.09 N ATOM 0 H ASN A 60 11.996 5.401 1.131 1.00 12.38 H new ATOM 0 HA ASN A 60 13.258 3.758 1.831 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.065 5.062 4.566 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.305 3.936 4.051 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.090 6.312 2.039 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.713 4.590 2.150 1.00 24.09 H new ATOM 962 N ILE A 61 11.240 2.129 2.299 1.00 11.08 N ATOM 963 CA ILE A 61 10.624 0.817 2.602 1.00 11.78 C ATOM 964 C ILE A 61 11.442 -0.330 1.980 1.00 13.74 C ATOM 965 O ILE A 61 11.399 -0.482 0.758 1.00 14.60 O ATOM 966 CB ILE A 61 9.202 0.801 2.084 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.451 2.070 2.667 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.528 -0.553 2.427 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.006 2.187 2.180 1.00 11.42 C ATOM 0 H ILE A 61 11.094 2.433 1.336 1.00 11.08 H new ATOM 0 HA ILE A 61 10.615 0.669 3.682 1.00 11.78 H new ATOM 0 HB ILE A 61 9.165 0.874 0.997 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.458 2.021 3.756 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.997 2.970 2.385 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.505 -0.556 2.051 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.087 -1.366 1.964 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.517 -0.690 3.508 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.547 3.075 2.614 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.994 2.266 1.093 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.446 1.303 2.485 1.00 11.42 H new ATOM 981 N GLN A 62 12.134 -1.089 2.821 1.00 13.97 N ATOM 982 CA GLN A 62 12.920 -2.256 2.361 1.00 15.52 C ATOM 983 C GLN A 62 12.124 -3.553 2.139 1.00 13.94 C ATOM 984 O GLN A 62 10.988 -3.653 2.597 1.00 12.15 O ATOM 985 CB GLN A 62 14.190 -2.532 3.231 1.00 19.53 C ATOM 986 CG GLN A 62 13.842 -3.100 4.635 1.00 26.38 C ATOM 987 CD GLN A 62 15.147 -3.378 5.377 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.186 -3.651 4.699 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.201 -3.379 6.714 1.00 32.71 N ATOM 0 H GLN A 62 12.175 -0.928 3.827 1.00 13.97 H new ATOM 0 HA GLN A 62 13.244 -1.939 1.370 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.837 -3.236 2.709 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.754 -1.607 3.347 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.233 -2.388 5.192 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.257 -4.015 4.540 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.367 -3.160 7.258 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.077 -3.599 7.189 1.00 32.71 H new ATOM 998 N LYS A 63 12.770 -4.611 1.518 1.00 11.73 N ATOM 999 CA LYS A 63 12.327 -5.978 1.436 1.00 11.97 C ATOM 1000 C LYS A 63 11.659 -6.497 2.717 1.00 10.41 C ATOM 1001 O LYS A 63 12.048 -6.147 3.824 1.00 9.59 O ATOM 1002 CB LYS A 63 13.428 -6.961 0.851 1.00 13.73 C ATOM 1003 CG LYS A 63 14.629 -7.296 1.682 1.00 16.98 C ATOM 1004 CD LYS A 63 14.459 -8.587 2.525 1.00 20.19 C ATOM 1005 CE LYS A 63 15.672 -8.930 3.315 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.560 -10.295 3.839 1.00 25.97 N ATOM 0 H LYS A 63 13.664 -4.476 1.046 1.00 11.73 H new ATOM 0 HA LYS A 63 11.526 -5.967 0.696 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.931 -7.898 0.601 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.787 -6.532 -0.084 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.493 -7.410 1.028 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.843 -6.461 2.350 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.614 -8.463 3.202 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.217 -9.418 1.862 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.560 -8.844 2.689 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.792 -8.225 4.137 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.583 -10.271 4.878 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.663 -10.716 3.522 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.354 -10.868 3.488 1.00 25.97 H new ATOM 1020 N GLU A 64 10.542 -7.246 2.635 1.00 10.04 N ATOM 1021 CA GLU A 64 9.846 -7.917 3.671 1.00 10.94 C ATOM 1022 C GLU A 64 9.140 -7.037 4.645 1.00 9.74 C ATOM 1023 O GLU A 64 8.784 -7.513 5.741 1.00 9.42 O ATOM 1024 CB GLU A 64 10.674 -8.974 4.379 1.00 18.31 C ATOM 1025 CG GLU A 64 10.987 -10.105 3.412 1.00 24.16 C ATOM 1026 CD GLU A 64 11.865 -11.177 4.017 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.408 -11.923 4.935 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.026 -11.320 3.594 1.00 32.61 O ATOM 0 H GLU A 64 10.085 -7.390 1.735 1.00 10.04 H new ATOM 0 HA GLU A 64 9.056 -8.433 3.125 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.599 -8.536 4.754 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.131 -9.359 5.242 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.053 -10.556 3.075 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.480 -9.695 2.530 1.00 24.16 H new ATOM 1035 N SER A 65 8.843 -5.812 4.320 1.00 6.85 N ATOM 1036 CA SER A 65 8.135 -4.881 5.203 1.00 6.90 C ATOM 1037 C SER A 65 6.745 -5.193 5.266 1.00 4.72 C ATOM 1038 O SER A 65 6.124 -5.439 4.217 1.00 3.91 O ATOM 1039 CB SER A 65 8.294 -3.387 4.880 1.00 7.28 C ATOM 1040 OG SER A 65 9.668 -3.008 4.954 1.00 10.56 O ATOM 0 H SER A 65 9.085 -5.406 3.416 1.00 6.85 H new ATOM 0 HA SER A 65 8.622 -5.029 6.167 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.906 -3.180 3.883 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.707 -2.792 5.580 1.00 7.28 H new ATOM 0 HG SER A 65 10.118 -3.244 4.116 1.00 10.56 H new ATOM 1046 N THR A 66 6.052 -5.070 6.411 1.00 4.48 N ATOM 1047 CA THR A 66 4.599 -5.194 6.459 1.00 3.80 C ATOM 1048 C THR A 66 3.906 -3.844 6.410 1.00 4.60 C ATOM 1049 O THR A 66 3.935 -3.048 7.319 1.00 5.33 O ATOM 1050 CB THR A 66 4.175 -6.044 7.625 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.696 -7.359 7.576 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.634 -6.173 7.651 1.00 3.40 C ATOM 0 H THR A 66 6.484 -4.884 7.316 1.00 4.48 H new ATOM 0 HA THR A 66 4.272 -5.713 5.558 1.00 3.80 H new ATOM 0 HB THR A 66 4.562 -5.543 8.512 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.388 -7.862 8.359 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.335 -6.790 8.498 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.188 -5.183 7.747 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.292 -6.637 6.726 1.00 3.40 H new ATOM 1060 N LEU A 67 3.246 -3.415 5.311 1.00 4.17 N ATOM 1061 CA LEU A 67 2.355 -2.264 5.309 1.00 3.85 C ATOM 1062 C LEU A 67 1.006 -2.553 6.043 1.00 3.80 C ATOM 1063 O LEU A 67 0.634 -3.630 6.509 1.00 5.54 O ATOM 1064 CB LEU A 67 1.953 -1.815 3.916 1.00 7.18 C ATOM 1065 CG LEU A 67 2.990 -1.726 2.810 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.437 -1.240 1.512 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.346 -0.969 3.154 1.00 11.66 C ATOM 0 H LEU A 67 3.326 -3.870 4.402 1.00 4.17 H new ATOM 0 HA LEU A 67 2.939 -1.495 5.814 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.172 -2.492 3.572 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.500 -0.829 4.013 1.00 7.18 H new ATOM 0 HG LEU A 67 3.273 -2.773 2.705 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.233 -1.202 0.769 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.656 -1.920 1.172 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.017 -0.243 1.646 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.998 -0.976 2.281 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.127 0.061 3.434 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.844 -1.472 3.983 1.00 11.66 H new ATOM 1079 N HIS A 68 0.234 -1.459 6.074 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.103 -1.439 6.506 1.00 4.17 C ATOM 1081 C HIS A 68 -1.939 -0.749 5.453 1.00 5.32 C ATOM 1082 O HIS A 68 -1.408 0.160 4.721 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.185 -0.648 7.886 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.587 -1.514 8.943 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.362 -2.238 9.780 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.712 -1.762 9.321 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.549 -2.957 10.597 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.748 -2.699 10.330 1.00 16.30 N ATOM 0 H HIS A 68 0.571 -0.543 5.779 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.477 -2.452 6.655 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.647 0.298 7.817 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.220 -0.409 8.128 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.581 -1.289 8.888 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.894 -3.642 11.357 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.570 -3.106 10.775 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.265 -1.091 5.420 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.181 -0.684 4.457 1.00 3.97 C ATOM 1098 C LEU A 69 -5.466 -0.341 5.219 1.00 5.07 C ATOM 1099 O LEU A 69 -6.059 -1.147 5.895 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.277 -1.857 3.489 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.383 -1.870 2.464 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.220 -0.702 1.428 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.526 -3.223 1.778 1.00 9.96 C ATOM 0 H LEU A 69 -3.685 -1.692 6.129 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.926 0.200 3.872 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.330 -1.919 2.952 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.367 -2.767 4.082 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.315 -1.700 3.004 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.034 -0.742 0.704 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.245 0.254 1.951 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.267 -0.806 0.909 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.336 -3.178 1.050 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.595 -3.474 1.270 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.750 -3.987 2.523 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.002 0.890 4.929 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.279 1.446 5.477 1.00 6.26 C ATOM 1117 C VAL A 70 -8.164 1.845 4.361 1.00 9.22 C ATOM 1118 O VAL A 70 -7.755 2.552 3.431 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.118 2.521 6.526 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.753 1.966 7.892 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.247 3.646 6.107 1.00 8.54 C ATOM 0 H VAL A 70 -5.541 1.537 4.289 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.755 0.642 6.039 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.110 2.959 6.633 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.651 2.786 8.603 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.536 1.288 8.230 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.809 1.425 7.825 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.182 4.376 6.914 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.250 3.269 5.877 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.668 4.122 5.221 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.397 1.359 4.371 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.329 1.416 3.275 1.00 16.06 C ATOM 1133 C LEU A 71 -11.566 2.308 3.531 1.00 18.09 C ATOM 1134 O LEU A 71 -12.286 1.990 4.488 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.763 -0.049 2.874 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.608 -1.048 2.536 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.203 -2.371 2.044 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.666 -0.534 1.488 1.00 19.57 C ATOM 0 H LEU A 71 -9.786 0.892 5.190 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.804 1.895 2.449 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.349 -0.468 3.692 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.424 0.015 2.009 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.038 -1.183 3.455 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.398 -3.067 1.809 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.835 -2.798 2.823 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.800 -2.191 1.150 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.889 -1.276 1.301 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.216 -0.344 0.566 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.207 0.392 1.834 1.00 19.57 H new