USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 126:sc= 1.19 USER MOD Set 1.2: A 57 SER OG : rot -84:sc= 1.26 USER MOD Set 2.1: A 22 THR OG1 : rot -45:sc= 0.305 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.798 K(o=1.1,f=-4.6!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.297 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 154:sc= 1.08 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.925 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.565 (180deg=-1.4) USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.58 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.27 (180deg=0.895) USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.468 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.31 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0.978 (180deg=0.944) USER MOD Single : A 31 GLN : amide:sc= -0.0188 K(o=-0.019,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 41 GLN : amide:sc= 1.53 K(o=1.5,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 59 TYR OH : rot -70:sc= 0.876 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 1.12 (180deg=0.477) USER MOD Single : A 65 SER OG : rot 75:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.017 -6.590 -5.143 1.00 9.67 N ATOM 2 CA MET A 1 11.098 -6.472 -3.687 1.00 10.38 C ATOM 3 C MET A 1 9.871 -7.023 -3.036 1.00 9.62 C ATOM 4 O MET A 1 8.762 -6.713 -3.465 1.00 9.62 O ATOM 5 CB MET A 1 11.289 -5.014 -3.157 1.00 13.77 C ATOM 6 CG MET A 1 11.308 -4.850 -1.619 1.00 16.29 C ATOM 7 SD MET A 1 11.859 -3.170 -1.194 1.00 17.17 S ATOM 8 CE MET A 1 10.609 -2.248 -2.000 1.00 16.11 C ATOM 0 H1 MET A 1 11.945 -6.377 -5.561 1.00 9.67 H new ATOM 0 H2 MET A 1 10.737 -7.559 -5.398 1.00 9.67 H new ATOM 0 H3 MET A 1 10.311 -5.919 -5.507 1.00 9.67 H new ATOM 0 HA MET A 1 11.989 -7.043 -3.427 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.225 -4.623 -3.556 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.487 -4.394 -3.559 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.314 -5.032 -1.211 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.976 -5.587 -1.172 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.646 -1.212 -1.662 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.768 -2.284 -3.078 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.633 -2.672 -1.763 1.00 16.11 H new ATOM 20 N GLN A 2 9.999 -7.884 -2.006 1.00 9.27 N ATOM 21 CA GLN A 2 8.874 -8.439 -1.360 1.00 9.07 C ATOM 22 C GLN A 2 8.307 -7.634 -0.219 1.00 8.72 C ATOM 23 O GLN A 2 9.094 -7.238 0.627 1.00 8.22 O ATOM 24 CB GLN A 2 9.269 -9.763 -0.721 1.00 14.46 C ATOM 25 CG GLN A 2 8.159 -10.537 0.033 1.00 17.01 C ATOM 26 CD GLN A 2 8.543 -12.016 0.336 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.826 -12.921 0.018 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.678 -12.164 1.064 1.00 19.49 N ATOM 0 H GLN A 2 10.895 -8.190 -1.628 1.00 9.27 H new ATOM 0 HA GLN A 2 8.126 -8.502 -2.150 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.664 -10.412 -1.502 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.084 -9.573 -0.023 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.940 -10.025 0.970 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.245 -10.520 -0.561 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.243 -11.348 1.300 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.967 -13.091 1.376 1.00 19.49 H new ATOM 37 N ILE A 3 6.994 -7.293 -0.140 1.00 5.87 N ATOM 38 CA ILE A 3 6.348 -6.552 0.920 1.00 5.07 C ATOM 39 C ILE A 3 5.065 -7.185 1.273 1.00 4.01 C ATOM 40 O ILE A 3 4.386 -7.730 0.449 1.00 4.61 O ATOM 41 CB ILE A 3 6.133 -5.010 0.699 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.539 -4.658 -0.660 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.542 -4.312 0.858 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.181 -3.241 -0.753 1.00 10.83 C ATOM 0 H ILE A 3 6.336 -7.556 -0.874 1.00 5.87 H new ATOM 0 HA ILE A 3 7.069 -6.601 1.736 1.00 5.07 H new ATOM 0 HB ILE A 3 5.410 -4.661 1.436 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.256 -4.903 -1.443 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.653 -5.268 -0.837 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.434 -3.237 0.711 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.933 -4.504 1.857 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.232 -4.712 0.115 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.762 -3.036 -1.738 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.443 -3.001 0.013 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.071 -2.630 -0.603 1.00 10.83 H new ATOM 56 N PHE A 4 4.659 -7.138 2.549 1.00 4.55 N ATOM 57 CA PHE A 4 3.486 -7.820 3.019 1.00 4.68 C ATOM 58 C PHE A 4 2.395 -6.719 3.239 1.00 5.30 C ATOM 59 O PHE A 4 2.717 -5.579 3.384 1.00 5.58 O ATOM 60 CB PHE A 4 3.760 -8.578 4.334 1.00 4.83 C ATOM 61 CG PHE A 4 4.760 -9.653 4.142 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.432 -10.869 3.450 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.131 -9.540 4.496 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.367 -11.849 3.146 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.070 -10.548 4.177 1.00 10.61 C ATOM 66 CZ PHE A 4 6.705 -11.737 3.567 1.00 8.90 C ATOM 0 H PHE A 4 5.151 -6.617 3.275 1.00 4.55 H new ATOM 0 HA PHE A 4 3.162 -8.567 2.295 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.116 -7.879 5.091 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.831 -9.007 4.709 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.406 -11.028 3.151 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.466 -8.659 5.024 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.062 -12.714 2.576 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.110 -10.385 4.418 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.413 -12.539 3.422 1.00 8.90 H new ATOM 76 N VAL A 5 1.139 -7.090 3.133 1.00 4.44 N ATOM 77 CA VAL A 5 0.069 -6.151 3.271 1.00 3.87 C ATOM 78 C VAL A 5 -0.966 -6.842 4.168 1.00 4.93 C ATOM 79 O VAL A 5 -1.316 -7.986 3.870 1.00 6.84 O ATOM 80 CB VAL A 5 -0.613 -5.802 1.946 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.769 -4.850 2.257 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.365 -5.197 0.898 1.00 9.13 C ATOM 0 H VAL A 5 0.840 -8.048 2.950 1.00 4.44 H new ATOM 0 HA VAL A 5 0.464 -5.218 3.672 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.985 -6.717 1.484 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.278 -4.581 1.331 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.473 -5.340 2.929 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.381 -3.949 2.733 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.179 -4.971 -0.019 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.803 -4.281 1.295 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.157 -5.914 0.683 1.00 9.13 H new ATOM 92 N LYS A 6 -1.400 -6.215 5.266 1.00 6.04 N ATOM 93 CA LYS A 6 -2.522 -6.694 6.024 1.00 6.12 C ATOM 94 C LYS A 6 -3.761 -5.914 5.672 1.00 6.57 C ATOM 95 O LYS A 6 -3.823 -4.710 5.773 1.00 5.76 O ATOM 96 CB LYS A 6 -2.320 -6.431 7.502 1.00 7.45 C ATOM 97 CG LYS A 6 -1.145 -7.214 8.127 1.00 11.12 C ATOM 98 CD LYS A 6 -1.413 -8.764 8.227 1.00 14.54 C ATOM 99 CE LYS A 6 -0.507 -9.534 9.237 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.521 -10.940 9.095 1.00 20.55 N ATOM 0 H LYS A 6 -0.975 -5.366 5.639 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.617 -7.757 5.802 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.152 -5.364 7.651 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.236 -6.686 8.034 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.247 -7.045 7.532 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.945 -6.822 9.124 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.455 -8.918 8.508 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.281 -9.203 7.238 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.518 -9.182 9.125 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.821 -9.282 10.250 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.372 -11.334 9.454 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.316 -11.336 9.636 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.629 -11.186 8.090 1.00 20.55 H new ATOM 114 N THR A 7 -4.783 -6.617 5.204 1.00 7.41 N ATOM 115 CA THR A 7 -6.124 -6.182 4.935 1.00 7.48 C ATOM 116 C THR A 7 -6.816 -5.532 6.122 1.00 8.75 C ATOM 117 O THR A 7 -6.301 -5.474 7.285 1.00 8.58 O ATOM 118 CB THR A 7 -7.083 -7.140 4.237 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.565 -8.107 5.090 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.365 -7.861 3.072 1.00 9.17 C ATOM 0 H THR A 7 -4.669 -7.607 4.985 1.00 7.41 H new ATOM 0 HA THR A 7 -5.901 -5.433 4.176 1.00 7.48 H new ATOM 0 HB THR A 7 -7.914 -6.536 3.874 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.176 -8.698 4.603 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.061 -8.542 2.582 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.010 -7.124 2.351 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.517 -8.426 3.461 1.00 9.17 H new ATOM 128 N LEU A 8 -8.041 -4.980 5.901 1.00 9.84 N ATOM 129 CA LEU A 8 -8.866 -4.445 6.981 1.00 14.15 C ATOM 130 C LEU A 8 -9.216 -5.395 8.081 1.00 17.37 C ATOM 131 O LEU A 8 -9.030 -5.113 9.280 1.00 17.01 O ATOM 132 CB LEU A 8 -10.151 -4.026 6.304 1.00 16.63 C ATOM 133 CG LEU A 8 -11.218 -3.419 7.197 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.803 -1.987 7.820 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.588 -3.361 6.512 1.00 18.59 C ATOM 0 H LEU A 8 -8.465 -4.902 4.977 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.300 -3.655 7.473 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.907 -3.304 5.525 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.576 -4.899 5.808 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.304 -4.101 8.043 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.613 -1.614 8.447 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.901 -2.100 8.422 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.614 -1.280 7.012 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.316 -2.919 7.192 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.518 -2.753 5.610 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.905 -4.370 6.246 1.00 18.59 H new ATOM 147 N THR A 9 -9.681 -6.603 7.722 1.00 18.33 N ATOM 148 CA THR A 9 -9.985 -7.703 8.627 1.00 19.24 C ATOM 149 C THR A 9 -8.765 -8.464 9.017 1.00 19.48 C ATOM 150 O THR A 9 -8.824 -9.493 9.701 1.00 23.14 O ATOM 151 CB THR A 9 -11.052 -8.730 8.100 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.591 -9.266 6.867 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.372 -8.003 7.933 1.00 19.70 C ATOM 0 H THR A 9 -9.860 -6.841 6.747 1.00 18.33 H new ATOM 0 HA THR A 9 -10.418 -7.196 9.489 1.00 19.24 H new ATOM 0 HB THR A 9 -11.196 -9.553 8.800 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.245 -9.911 6.525 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.127 -8.699 7.568 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.688 -7.597 8.894 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.251 -7.190 7.217 1.00 19.70 H new ATOM 161 N GLY A 10 -7.549 -8.035 8.593 1.00 19.43 N ATOM 162 CA GLY A 10 -6.245 -8.572 9.011 1.00 18.74 C ATOM 163 C GLY A 10 -5.847 -9.844 8.311 1.00 17.62 C ATOM 164 O GLY A 10 -5.113 -10.653 8.896 1.00 19.74 O ATOM 0 H GLY A 10 -7.455 -7.273 7.922 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.480 -7.817 8.831 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.267 -8.754 10.086 1.00 18.74 H new ATOM 168 N LYS A 11 -6.213 -10.022 7.007 1.00 13.56 N ATOM 169 CA LYS A 11 -5.596 -11.030 6.146 1.00 11.91 C ATOM 170 C LYS A 11 -4.293 -10.543 5.556 1.00 10.18 C ATOM 171 O LYS A 11 -4.099 -9.392 5.206 1.00 9.10 O ATOM 172 CB LYS A 11 -6.533 -11.364 4.946 1.00 13.43 C ATOM 173 CG LYS A 11 -6.377 -12.612 4.117 1.00 16.69 C ATOM 174 CD LYS A 11 -7.192 -12.597 2.844 1.00 17.92 C ATOM 175 CE LYS A 11 -6.765 -11.565 1.758 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.564 -11.771 0.557 1.00 21.93 N ATOM 0 H LYS A 11 -6.936 -9.470 6.546 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.420 -11.904 6.773 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.550 -11.376 5.339 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.468 -10.522 4.257 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.325 -12.741 3.864 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.669 -13.475 4.716 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.153 -13.593 2.402 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.232 -12.405 3.107 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.903 -10.550 2.131 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.706 -11.679 1.528 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.457 -10.952 -0.076 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.241 -12.630 0.068 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.565 -11.877 0.820 1.00 21.93 H new ATOM 190 N THR A 12 -3.302 -11.448 5.400 1.00 9.63 N ATOM 191 CA THR A 12 -2.040 -11.141 4.732 1.00 9.85 C ATOM 192 C THR A 12 -2.075 -11.256 3.223 1.00 11.66 C ATOM 193 O THR A 12 -2.638 -12.236 2.758 1.00 12.33 O ATOM 194 CB THR A 12 -0.884 -12.085 5.143 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.867 -12.178 6.578 1.00 10.91 O ATOM 196 CG2 THR A 12 0.499 -11.484 4.772 1.00 9.63 C ATOM 0 H THR A 12 -3.365 -12.409 5.737 1.00 9.63 H new ATOM 0 HA THR A 12 -1.878 -10.110 5.047 1.00 9.85 H new ATOM 0 HB THR A 12 -1.043 -13.038 4.639 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.141 -12.774 6.859 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.288 -12.173 5.075 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.550 -11.325 3.695 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.632 -10.532 5.286 1.00 9.63 H new ATOM 204 N ILE A 13 -1.477 -10.326 2.501 1.00 10.42 N ATOM 205 CA ILE A 13 -1.221 -10.375 1.069 1.00 11.84 C ATOM 206 C ILE A 13 0.232 -10.091 0.905 1.00 10.55 C ATOM 207 O ILE A 13 0.801 -9.179 1.493 1.00 11.92 O ATOM 208 CB ILE A 13 -2.120 -9.290 0.405 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.613 -9.385 0.770 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.783 -9.338 -1.149 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.315 -8.210 0.140 1.00 16.46 C ATOM 0 H ILE A 13 -1.135 -9.462 2.923 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.452 -11.333 0.603 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.893 -8.299 0.799 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.036 -10.322 0.408 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.744 -9.373 1.852 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.384 -8.596 -1.675 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.726 -9.120 -1.299 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.008 -10.330 -1.540 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.377 -8.249 0.381 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.889 -7.283 0.524 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.187 -8.247 -0.942 1.00 16.46 H new ATOM 223 N THR A 14 0.944 -10.924 0.114 1.00 9.39 N ATOM 224 CA THR A 14 2.369 -10.781 -0.271 1.00 9.63 C ATOM 225 C THR A 14 2.399 -10.135 -1.657 1.00 11.20 C ATOM 226 O THR A 14 1.855 -10.636 -2.610 1.00 11.63 O ATOM 227 CB THR A 14 3.111 -12.085 -0.343 1.00 10.38 C ATOM 228 OG1 THR A 14 3.043 -12.773 0.905 1.00 16.30 O ATOM 229 CG2 THR A 14 4.609 -11.792 -0.512 1.00 11.66 C ATOM 0 H THR A 14 0.520 -11.757 -0.295 1.00 9.39 H new ATOM 0 HA THR A 14 2.862 -10.183 0.495 1.00 9.63 H new ATOM 0 HB THR A 14 2.676 -12.663 -1.158 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.539 -12.269 1.584 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.160 -12.731 -0.566 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.768 -11.225 -1.430 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.964 -11.211 0.339 1.00 11.66 H new ATOM 237 N LEU A 15 3.115 -9.010 -1.809 1.00 8.29 N ATOM 238 CA LEU A 15 3.297 -8.326 -3.089 1.00 9.03 C ATOM 239 C LEU A 15 4.791 -8.332 -3.621 1.00 8.59 C ATOM 240 O LEU A 15 5.737 -8.241 -2.832 1.00 7.79 O ATOM 241 CB LEU A 15 2.858 -6.822 -3.154 1.00 11.08 C ATOM 242 CG LEU A 15 1.404 -6.627 -2.751 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.133 -5.135 -2.820 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.423 -7.384 -3.702 1.00 15.27 C ATOM 0 H LEU A 15 3.588 -8.547 -1.033 1.00 8.29 H new ATOM 0 HA LEU A 15 2.631 -8.930 -3.706 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.497 -6.231 -2.498 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.006 -6.446 -4.166 1.00 11.08 H new ATOM 0 HG LEU A 15 1.242 -7.030 -1.751 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.098 -4.940 -2.539 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.800 -4.612 -2.135 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.306 -4.780 -3.836 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.603 -7.216 -3.375 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.545 -7.014 -4.720 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.642 -8.452 -3.675 1.00 15.27 H new ATOM 256 N GLU A 16 5.047 -8.260 -4.955 1.00 11.04 N ATOM 257 CA GLU A 16 6.369 -7.930 -5.485 1.00 11.50 C ATOM 258 C GLU A 16 6.373 -6.562 -6.137 1.00 10.13 C ATOM 259 O GLU A 16 5.534 -6.285 -7.004 1.00 9.83 O ATOM 260 CB GLU A 16 6.683 -8.955 -6.562 1.00 17.22 C ATOM 261 CG GLU A 16 8.186 -9.125 -6.969 1.00 23.33 C ATOM 262 CD GLU A 16 9.096 -9.719 -5.841 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.721 -10.683 -5.124 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.261 -9.200 -5.789 1.00 28.86 O ATOM 0 H GLU A 16 4.343 -8.429 -5.673 1.00 11.04 H new ATOM 0 HA GLU A 16 7.096 -7.933 -4.673 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.312 -9.923 -6.226 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.118 -8.690 -7.456 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.242 -9.773 -7.844 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.582 -8.154 -7.265 1.00 23.33 H new ATOM 271 N VAL A 17 7.275 -5.659 -5.659 1.00 8.99 N ATOM 272 CA VAL A 17 7.249 -4.246 -5.936 1.00 8.85 C ATOM 273 C VAL A 17 8.687 -3.840 -6.365 1.00 8.04 C ATOM 274 O VAL A 17 9.686 -4.489 -6.045 1.00 8.99 O ATOM 275 CB VAL A 17 6.853 -3.320 -4.733 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.347 -3.645 -4.441 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.817 -3.528 -3.573 1.00 10.54 C ATOM 0 H VAL A 17 8.051 -5.931 -5.056 1.00 8.99 H new ATOM 0 HA VAL A 17 6.481 -4.102 -6.696 1.00 8.85 H new ATOM 0 HB VAL A 17 6.938 -2.253 -4.940 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.998 -3.034 -3.609 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.750 -3.428 -5.326 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.245 -4.699 -4.184 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.533 -2.881 -2.743 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.779 -4.569 -3.251 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.830 -3.284 -3.893 1.00 10.54 H new ATOM 287 N GLU A 18 8.907 -2.688 -7.017 1.00 7.29 N ATOM 288 CA GLU A 18 10.209 -2.201 -7.520 1.00 7.08 C ATOM 289 C GLU A 18 10.359 -0.956 -6.725 1.00 6.45 C ATOM 290 O GLU A 18 9.359 -0.227 -6.615 1.00 5.28 O ATOM 291 CB GLU A 18 10.316 -1.968 -9.043 1.00 10.28 C ATOM 292 CG GLU A 18 11.690 -1.485 -9.492 1.00 12.65 C ATOM 293 CD GLU A 18 11.776 -1.412 -11.000 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.985 -0.737 -11.672 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.729 -2.029 -11.581 1.00 14.33 O ATOM 0 H GLU A 18 8.148 -2.037 -7.219 1.00 7.29 H new ATOM 0 HA GLU A 18 11.002 -2.938 -7.397 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.080 -2.897 -9.562 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.567 -1.236 -9.343 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.891 -0.502 -9.065 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.458 -2.160 -9.113 1.00 12.65 H new ATOM 302 N PRO A 19 11.556 -0.647 -6.114 1.00 7.24 N ATOM 303 CA PRO A 19 11.712 0.509 -5.296 1.00 7.07 C ATOM 304 C PRO A 19 11.256 1.869 -5.944 1.00 6.65 C ATOM 305 O PRO A 19 10.855 2.766 -5.250 1.00 6.37 O ATOM 306 CB PRO A 19 13.098 0.517 -4.698 1.00 7.61 C ATOM 307 CG PRO A 19 13.368 -0.964 -4.594 1.00 8.16 C ATOM 308 CD PRO A 19 12.709 -1.510 -5.874 1.00 7.49 C ATOM 0 HA PRO A 19 10.994 0.429 -4.480 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.821 1.025 -5.336 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.127 1.012 -3.727 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.436 -1.181 -4.562 1.00 8.16 H new ATOM 0 HG3 PRO A 19 12.928 -1.395 -3.695 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.402 -1.483 -6.715 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.403 -2.548 -5.746 1.00 7.49 H new ATOM 316 N SER A 20 11.289 1.919 -7.261 1.00 6.80 N ATOM 317 CA SER A 20 10.929 3.063 -8.053 1.00 6.28 C ATOM 318 C SER A 20 9.488 3.097 -8.522 1.00 8.45 C ATOM 319 O SER A 20 9.060 3.942 -9.290 1.00 7.26 O ATOM 320 CB SER A 20 11.832 3.171 -9.359 1.00 8.57 C ATOM 321 OG SER A 20 13.176 3.077 -9.015 1.00 11.13 O ATOM 0 H SER A 20 11.582 1.123 -7.828 1.00 6.80 H new ATOM 0 HA SER A 20 11.086 3.897 -7.369 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.571 2.377 -10.059 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.643 4.118 -9.865 1.00 8.57 H new ATOM 0 HG SER A 20 13.726 3.142 -9.823 1.00 11.13 H new ATOM 327 N ASP A 21 8.697 2.113 -8.104 1.00 7.50 N ATOM 328 CA ASP A 21 7.230 2.110 -8.240 1.00 7.70 C ATOM 329 C ASP A 21 6.747 3.097 -7.171 1.00 7.08 C ATOM 330 O ASP A 21 7.399 3.321 -6.140 1.00 8.11 O ATOM 331 CB ASP A 21 6.566 0.741 -8.111 1.00 11.00 C ATOM 332 CG ASP A 21 6.997 -0.203 -9.269 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.460 0.288 -10.364 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.544 -1.375 -9.110 1.00 14.36 O ATOM 0 H ASP A 21 9.058 1.274 -7.650 1.00 7.50 H new ATOM 0 HA ASP A 21 6.946 2.400 -9.251 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.833 0.293 -7.154 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.482 0.857 -8.117 1.00 11.00 H new ATOM 339 N THR A 22 5.571 3.788 -7.501 1.00 5.37 N ATOM 340 CA THR A 22 4.976 4.730 -6.560 1.00 6.01 C ATOM 341 C THR A 22 3.979 3.968 -5.690 1.00 8.01 C ATOM 342 O THR A 22 3.664 2.815 -5.962 1.00 8.11 O ATOM 343 CB THR A 22 4.369 5.981 -7.268 1.00 8.92 C ATOM 344 OG1 THR A 22 3.383 5.659 -8.226 1.00 10.22 O ATOM 345 CG2 THR A 22 5.463 6.810 -7.955 1.00 9.65 C ATOM 0 H THR A 22 5.069 3.686 -8.383 1.00 5.37 H new ATOM 0 HA THR A 22 5.749 5.148 -5.915 1.00 6.01 H new ATOM 0 HB THR A 22 3.893 6.558 -6.475 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.696 4.913 -8.779 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.013 7.676 -8.441 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.186 7.146 -7.211 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.969 6.198 -8.702 1.00 9.65 H new ATOM 353 N ILE A 23 3.583 4.633 -4.666 1.00 8.32 N ATOM 354 CA ILE A 23 2.498 4.187 -3.791 1.00 9.92 C ATOM 355 C ILE A 23 1.224 3.935 -4.625 1.00 10.01 C ATOM 356 O ILE A 23 0.525 2.992 -4.364 1.00 8.71 O ATOM 357 CB ILE A 23 2.126 5.156 -2.653 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.291 5.467 -1.715 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.918 4.650 -1.814 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.022 4.169 -1.256 1.00 12.30 C ATOM 0 H ILE A 23 3.995 5.523 -4.386 1.00 8.32 H new ATOM 0 HA ILE A 23 2.881 3.281 -3.321 1.00 9.92 H new ATOM 0 HB ILE A 23 1.847 6.078 -3.162 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.999 6.125 -2.219 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.922 6.005 -0.842 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.696 5.369 -1.025 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.047 4.540 -2.460 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.163 3.686 -1.368 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.844 4.431 -0.590 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.320 3.523 -0.729 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.414 3.644 -2.128 1.00 12.30 H new ATOM 372 N GLU A 24 0.885 4.760 -5.663 1.00 9.54 N ATOM 373 CA GLU A 24 -0.219 4.467 -6.556 1.00 11.81 C ATOM 374 C GLU A 24 -0.092 3.114 -7.318 1.00 11.14 C ATOM 375 O GLU A 24 -1.060 2.432 -7.523 1.00 10.62 O ATOM 376 CB GLU A 24 -0.312 5.657 -7.569 1.00 19.24 C ATOM 377 CG GLU A 24 -1.377 5.519 -8.596 1.00 27.76 C ATOM 378 CD GLU A 24 -1.483 6.831 -9.425 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.498 7.313 -10.057 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.556 7.479 -9.325 1.00 36.51 O ATOM 0 H GLU A 24 1.377 5.627 -5.879 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.123 4.359 -5.956 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.482 6.578 -7.011 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.648 5.762 -8.074 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.154 4.679 -9.254 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.332 5.303 -8.116 1.00 27.76 H new ATOM 387 N ASN A 25 1.127 2.749 -7.775 1.00 9.43 N ATOM 388 CA ASN A 25 1.346 1.452 -8.385 1.00 10.96 C ATOM 389 C ASN A 25 1.161 0.329 -7.414 1.00 9.68 C ATOM 390 O ASN A 25 0.629 -0.786 -7.710 1.00 9.33 O ATOM 391 CB ASN A 25 2.820 1.337 -8.940 1.00 16.78 C ATOM 392 CG ASN A 25 3.005 2.354 -10.061 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.878 3.221 -9.928 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.136 2.301 -11.103 1.00 24.70 N ATOM 0 H ASN A 25 1.957 3.340 -7.726 1.00 9.43 H new ATOM 0 HA ASN A 25 0.611 1.373 -9.186 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.539 1.521 -8.142 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.006 0.329 -9.311 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.179 3.005 -11.839 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.440 1.557 -11.149 1.00 24.70 H new ATOM 401 N VAL A 26 1.558 0.508 -6.105 1.00 6.52 N ATOM 402 CA VAL A 26 1.305 -0.489 -5.058 1.00 5.53 C ATOM 403 C VAL A 26 -0.210 -0.654 -4.849 1.00 4.42 C ATOM 404 O VAL A 26 -0.691 -1.799 -4.774 1.00 3.40 O ATOM 405 CB VAL A 26 2.139 -0.188 -3.742 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.048 -1.453 -2.853 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.577 -0.017 -4.264 1.00 8.12 C ATOM 0 H VAL A 26 2.051 1.338 -5.776 1.00 6.52 H new ATOM 0 HA VAL A 26 1.672 -1.463 -5.380 1.00 5.53 H new ATOM 0 HB VAL A 26 1.802 0.675 -3.169 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.609 -1.292 -1.933 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.004 -1.653 -2.611 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.466 -2.305 -3.389 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.244 0.197 -3.429 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.896 -0.935 -4.758 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.610 0.808 -4.975 1.00 8.12 H new ATOM 417 N LYS A 27 -0.987 0.454 -4.906 1.00 2.64 N ATOM 418 CA LYS A 27 -2.443 0.419 -4.822 1.00 4.14 C ATOM 419 C LYS A 27 -3.054 -0.359 -5.965 1.00 5.58 C ATOM 420 O LYS A 27 -4.011 -1.070 -5.744 1.00 4.11 O ATOM 421 CB LYS A 27 -3.099 1.830 -4.720 1.00 3.97 C ATOM 422 CG LYS A 27 -2.742 2.521 -3.361 1.00 7.45 C ATOM 423 CD LYS A 27 -3.424 3.901 -3.282 1.00 9.02 C ATOM 424 CE LYS A 27 -3.400 4.503 -1.850 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.963 5.826 -1.714 1.00 15.47 N ATOM 0 H LYS A 27 -0.607 1.395 -5.012 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.659 -0.098 -3.887 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.760 2.453 -5.548 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.181 1.739 -4.812 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.067 1.897 -2.529 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.661 2.634 -3.273 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.927 4.587 -3.968 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.458 3.810 -3.616 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.939 3.829 -1.184 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.366 4.532 -1.506 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.543 6.299 -0.888 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.759 6.380 -2.570 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.992 5.754 -1.586 1.00 15.47 H new ATOM 439 N ALA A 28 -2.503 -0.341 -7.187 1.00 6.61 N ATOM 440 CA ALA A 28 -2.896 -1.155 -8.271 1.00 7.74 C ATOM 441 C ALA A 28 -2.664 -2.632 -8.120 1.00 9.17 C ATOM 442 O ALA A 28 -3.452 -3.449 -8.516 1.00 11.45 O ATOM 443 CB ALA A 28 -2.091 -0.789 -9.519 1.00 7.68 C ATOM 0 H ALA A 28 -1.734 0.285 -7.425 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.968 -0.968 -8.330 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.401 -1.422 -10.350 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.268 0.256 -9.773 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.029 -0.940 -9.324 1.00 7.68 H new ATOM 449 N LYS A 29 -1.473 -3.002 -7.502 1.00 8.96 N ATOM 450 CA LYS A 29 -1.006 -4.349 -7.177 1.00 7.90 C ATOM 451 C LYS A 29 -1.926 -4.890 -6.105 1.00 6.92 C ATOM 452 O LYS A 29 -2.237 -6.047 -6.211 1.00 6.87 O ATOM 453 CB LYS A 29 0.445 -4.498 -6.778 1.00 10.28 C ATOM 454 CG LYS A 29 1.289 -4.079 -7.994 1.00 14.94 C ATOM 455 CD LYS A 29 2.841 -4.098 -7.541 1.00 19.69 C ATOM 456 CE LYS A 29 3.930 -3.742 -8.527 1.00 22.63 C ATOM 457 NZ LYS A 29 4.356 -4.936 -9.228 1.00 24.98 N ATOM 0 H LYS A 29 -0.796 -2.295 -7.214 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.045 -4.923 -8.103 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.674 -3.873 -5.915 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.663 -5.527 -6.493 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.125 -4.762 -8.828 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.002 -3.084 -8.335 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.938 -3.418 -6.695 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.056 -5.100 -7.171 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.564 -3.001 -9.238 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.775 -3.293 -8.005 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.018 -4.676 -9.987 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.829 -5.580 -8.562 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.527 -5.411 -9.639 1.00 24.98 H new ATOM 471 N ILE A 30 -2.364 -4.058 -5.175 1.00 4.57 N ATOM 472 CA ILE A 30 -3.430 -4.394 -4.271 1.00 5.58 C ATOM 473 C ILE A 30 -4.815 -4.589 -4.872 1.00 7.26 C ATOM 474 O ILE A 30 -5.538 -5.503 -4.433 1.00 9.46 O ATOM 475 CB ILE A 30 -3.532 -3.374 -3.130 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.245 -3.391 -2.236 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.832 -3.567 -2.249 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.291 -2.200 -1.297 1.00 2.00 C ATOM 0 H ILE A 30 -1.980 -3.124 -5.032 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.130 -5.379 -3.913 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.613 -2.394 -3.601 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.192 -4.319 -1.667 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.351 -3.347 -2.859 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.850 -2.817 -1.458 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.716 -3.454 -2.876 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.826 -4.563 -1.805 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.401 -2.198 -0.668 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.326 -1.279 -1.879 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.179 -2.266 -0.669 1.00 2.00 H new ATOM 490 N GLN A 31 -5.170 -3.755 -5.892 1.00 7.06 N ATOM 491 CA GLN A 31 -6.418 -3.954 -6.638 1.00 8.67 C ATOM 492 C GLN A 31 -6.520 -5.255 -7.330 1.00 10.90 C ATOM 493 O GLN A 31 -7.516 -5.915 -7.252 1.00 9.63 O ATOM 494 CB GLN A 31 -6.627 -2.853 -7.757 1.00 9.12 C ATOM 495 CG GLN A 31 -7.926 -3.034 -8.644 1.00 10.76 C ATOM 496 CD GLN A 31 -7.777 -2.069 -9.825 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.897 -1.226 -9.815 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.607 -2.298 -10.850 1.00 14.76 N ATOM 0 H GLN A 31 -4.613 -2.958 -6.201 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.177 -3.896 -5.858 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.666 -1.874 -7.279 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.756 -2.853 -8.412 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.019 -4.063 -8.992 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.824 -2.809 -8.069 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.319 -3.025 -10.777 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.528 -1.746 -11.704 1.00 14.76 H new ATOM 507 N ASP A 32 -5.365 -5.709 -7.979 1.00 10.93 N ATOM 508 CA ASP A 32 -5.259 -6.917 -8.657 1.00 14.01 C ATOM 509 C ASP A 32 -5.489 -8.146 -7.716 1.00 14.04 C ATOM 510 O ASP A 32 -6.191 -9.098 -8.045 1.00 13.39 O ATOM 511 CB ASP A 32 -3.855 -6.993 -9.218 1.00 18.01 C ATOM 512 CG ASP A 32 -3.743 -7.951 -10.417 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.628 -7.979 -11.302 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.798 -8.728 -10.494 1.00 26.29 O ATOM 0 H ASP A 32 -4.501 -5.167 -7.997 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.021 -6.954 -9.435 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.536 -5.996 -9.524 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.172 -7.319 -8.433 1.00 18.01 H new ATOM 519 N LYS A 33 -4.854 -8.138 -6.512 1.00 14.22 N ATOM 520 CA LYS A 33 -5.084 -9.140 -5.454 1.00 14.00 C ATOM 521 C LYS A 33 -6.415 -9.072 -4.788 1.00 12.37 C ATOM 522 O LYS A 33 -7.055 -10.102 -4.552 1.00 12.17 O ATOM 523 CB LYS A 33 -3.971 -8.830 -4.441 1.00 18.62 C ATOM 524 CG LYS A 33 -2.533 -9.109 -4.981 1.00 24.00 C ATOM 525 CD LYS A 33 -2.189 -10.575 -5.403 1.00 27.61 C ATOM 526 CE LYS A 33 -0.787 -10.675 -5.887 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.717 -11.970 -6.606 1.00 30.06 N ATOM 0 H LYS A 33 -4.167 -7.430 -6.255 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.070 -10.145 -5.876 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.042 -7.783 -4.146 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.134 -9.426 -3.543 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.367 -8.464 -5.844 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.821 -8.805 -4.214 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.333 -11.245 -4.555 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.872 -10.901 -6.187 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.538 -9.844 -6.547 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.081 -10.646 -5.057 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.245 -12.110 -6.976 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.952 -12.743 -5.952 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.395 -11.966 -7.395 1.00 30.06 H new ATOM 541 N GLU A 34 -6.838 -7.923 -4.339 1.00 10.11 N ATOM 542 CA GLU A 34 -7.881 -7.666 -3.352 1.00 10.07 C ATOM 543 C GLU A 34 -9.133 -7.039 -3.888 1.00 9.32 C ATOM 544 O GLU A 34 -10.153 -7.023 -3.231 1.00 11.61 O ATOM 545 CB GLU A 34 -7.281 -6.873 -2.155 1.00 14.77 C ATOM 546 CG GLU A 34 -8.115 -6.949 -0.844 1.00 18.75 C ATOM 547 CD GLU A 34 -8.477 -8.416 -0.506 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.557 -9.277 -0.481 1.00 25.19 O ATOM 549 OE2 GLU A 34 -9.691 -8.775 -0.345 1.00 21.95 O ATOM 0 H GLU A 34 -6.430 -7.052 -4.680 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.226 -8.641 -3.008 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.278 -7.249 -1.954 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -7.178 -5.827 -2.444 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -7.549 -6.511 -0.022 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -9.026 -6.361 -0.953 1.00 18.75 H new ATOM 556 N GLY A 35 -9.184 -6.548 -5.169 1.00 7.22 N ATOM 557 CA GLY A 35 -10.378 -6.044 -5.837 1.00 6.29 C ATOM 558 C GLY A 35 -10.860 -4.728 -5.530 1.00 6.93 C ATOM 559 O GLY A 35 -11.898 -4.314 -6.076 1.00 7.41 O ATOM 0 H GLY A 35 -8.355 -6.502 -5.762 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.191 -6.081 -6.910 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.187 -6.744 -5.630 1.00 6.29 H new ATOM 563 N ILE A 36 -10.195 -3.975 -4.614 1.00 5.86 N ATOM 564 CA ILE A 36 -10.567 -2.672 -4.121 1.00 6.07 C ATOM 565 C ILE A 36 -10.011 -1.630 -5.063 1.00 6.36 C ATOM 566 O ILE A 36 -8.852 -1.761 -5.398 1.00 6.18 O ATOM 567 CB ILE A 36 -9.910 -2.461 -2.730 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.989 -3.686 -1.826 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.571 -1.155 -2.086 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.278 -3.465 -0.508 1.00 9.49 C ATOM 0 H ILE A 36 -9.330 -4.307 -4.188 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.652 -2.591 -4.049 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.837 -2.313 -2.851 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.034 -3.931 -1.637 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.548 -4.542 -2.337 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.134 -0.973 -1.104 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.384 -0.297 -2.731 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.646 -1.304 -1.983 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.360 -4.363 0.104 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.226 -3.247 -0.694 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.735 -2.626 0.016 1.00 9.49 H new ATOM 582 N PRO A 37 -10.728 -0.592 -5.559 1.00 8.65 N ATOM 583 CA PRO A 37 -10.039 0.415 -6.395 1.00 9.18 C ATOM 584 C PRO A 37 -8.939 1.217 -5.618 1.00 9.85 C ATOM 585 O PRO A 37 -9.160 1.396 -4.429 1.00 8.51 O ATOM 586 CB PRO A 37 -11.293 1.344 -6.757 1.00 11.42 C ATOM 587 CG PRO A 37 -12.508 0.539 -6.501 1.00 9.27 C ATOM 588 CD PRO A 37 -12.150 -0.426 -5.445 1.00 8.33 C ATOM 0 HA PRO A 37 -9.487 0.000 -7.238 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.293 2.248 -6.148 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.251 1.661 -7.799 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.335 1.174 -6.183 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.831 0.024 -7.406 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.426 -0.052 -4.459 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.670 -1.374 -5.584 1.00 8.33 H new ATOM 596 N PRO A 38 -7.853 1.707 -6.210 1.00 8.71 N ATOM 597 CA PRO A 38 -6.956 2.643 -5.587 1.00 9.08 C ATOM 598 C PRO A 38 -7.700 3.898 -4.997 1.00 9.28 C ATOM 599 O PRO A 38 -7.359 4.340 -3.936 1.00 6.50 O ATOM 600 CB PRO A 38 -6.009 3.182 -6.689 1.00 10.31 C ATOM 601 CG PRO A 38 -5.906 1.928 -7.506 1.00 10.81 C ATOM 602 CD PRO A 38 -7.355 1.411 -7.569 1.00 12.00 C ATOM 0 HA PRO A 38 -6.445 2.122 -4.777 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.435 4.018 -7.244 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.048 3.515 -6.298 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.510 2.130 -8.501 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.241 1.200 -7.040 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.937 1.923 -8.336 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.397 0.345 -7.795 1.00 12.00 H new ATOM 610 N ASP A 39 -8.794 4.437 -5.602 1.00 11.20 N ATOM 611 CA ASP A 39 -9.517 5.503 -4.887 1.00 14.96 C ATOM 612 C ASP A 39 -10.408 5.093 -3.781 1.00 13.99 C ATOM 613 O ASP A 39 -11.085 5.935 -3.172 1.00 13.75 O ATOM 614 CB ASP A 39 -10.571 6.155 -5.867 1.00 24.16 C ATOM 615 CG ASP A 39 -9.760 6.911 -6.943 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.081 7.925 -6.641 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.736 6.482 -8.141 1.00 35.55 O ATOM 0 H ASP A 39 -9.167 4.171 -6.514 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.700 6.120 -4.512 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.202 5.391 -6.322 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.231 6.835 -5.330 1.00 24.16 H new ATOM 622 N GLN A 40 -10.415 3.793 -3.400 1.00 11.60 N ATOM 623 CA GLN A 40 -11.034 3.359 -2.183 1.00 10.76 C ATOM 624 C GLN A 40 -9.985 2.776 -1.275 1.00 8.01 C ATOM 625 O GLN A 40 -10.289 2.232 -0.249 1.00 8.96 O ATOM 626 CB GLN A 40 -11.986 2.206 -2.514 1.00 11.14 C ATOM 627 CG GLN A 40 -13.272 2.766 -3.200 1.00 14.85 C ATOM 628 CD GLN A 40 -14.477 1.881 -3.123 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.830 1.063 -3.979 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.218 1.940 -1.977 1.00 18.16 N ATOM 0 H GLN A 40 -9.988 3.042 -3.942 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.545 4.202 -1.718 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.492 1.492 -3.173 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.252 1.669 -1.604 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.517 3.726 -2.745 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.049 2.958 -4.250 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.966 2.599 -1.240 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.023 1.325 -1.858 1.00 18.16 H new ATOM 639 N GLN A 41 -8.731 2.863 -1.622 1.00 6.52 N ATOM 640 CA GLN A 41 -7.652 2.417 -0.769 1.00 3.87 C ATOM 641 C GLN A 41 -6.920 3.568 -0.046 1.00 4.79 C ATOM 642 O GLN A 41 -6.625 4.684 -0.580 1.00 6.34 O ATOM 643 CB GLN A 41 -6.589 1.689 -1.597 1.00 4.20 C ATOM 644 CG GLN A 41 -7.162 0.336 -2.026 1.00 3.20 C ATOM 645 CD GLN A 41 -6.095 -0.294 -2.963 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.941 -0.163 -2.516 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.374 -0.804 -4.185 1.00 7.13 N ATOM 0 H GLN A 41 -8.421 3.249 -2.514 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.124 1.770 -0.029 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.316 2.281 -2.471 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.681 1.549 -1.011 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.350 -0.301 -1.162 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.113 0.460 -2.543 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.342 -0.886 -4.495 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.616 -1.107 -4.797 1.00 7.13 H new ATOM 656 N ARG A 42 -6.567 3.243 1.196 1.00 5.73 N ATOM 657 CA ARG A 42 -5.669 4.067 2.091 1.00 6.97 C ATOM 658 C ARG A 42 -4.598 3.233 2.652 1.00 7.15 C ATOM 659 O ARG A 42 -4.832 2.100 3.085 1.00 7.33 O ATOM 660 CB ARG A 42 -6.430 4.927 3.092 1.00 13.23 C ATOM 661 CG ARG A 42 -5.557 5.934 3.818 1.00 21.27 C ATOM 662 CD ARG A 42 -6.423 6.897 4.634 1.00 26.14 C ATOM 663 NE ARG A 42 -6.865 8.052 3.786 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.973 8.895 3.954 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.841 8.733 4.913 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.117 9.986 3.254 1.00 36.39 N ATOM 0 H ARG A 42 -6.890 2.386 1.644 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.170 4.818 1.478 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.226 5.459 2.570 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.908 4.278 3.826 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.860 5.414 4.476 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.959 6.493 3.098 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.294 6.371 5.024 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.860 7.263 5.493 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.279 8.252 2.975 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.729 7.969 5.579 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.633 9.371 4.997 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.413 10.245 2.563 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.934 10.580 3.398 1.00 36.39 H new ATOM 680 N LEU A 43 -3.289 3.658 2.545 1.00 4.65 N ATOM 681 CA LEU A 43 -2.204 2.814 2.957 1.00 3.51 C ATOM 682 C LEU A 43 -1.386 3.443 4.073 1.00 5.56 C ATOM 683 O LEU A 43 -1.072 4.615 3.981 1.00 4.19 O ATOM 684 CB LEU A 43 -1.292 2.421 1.782 1.00 3.74 C ATOM 685 CG LEU A 43 -1.878 1.508 0.762 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.021 1.303 -0.447 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.991 0.077 1.372 1.00 6.41 C ATOM 0 H LEU A 43 -3.008 4.568 2.179 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.661 1.903 3.343 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.971 3.333 1.279 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.397 1.949 2.188 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.822 1.974 0.479 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.523 0.625 -1.138 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.850 2.261 -0.938 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.065 0.873 -0.147 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.419 -0.601 0.633 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.000 -0.276 1.657 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.633 0.106 2.252 1.00 6.41 H new ATOM 699 N ILE A 44 -1.103 2.677 5.150 1.00 4.58 N ATOM 700 CA ILE A 44 -0.272 3.115 6.246 1.00 5.55 C ATOM 701 C ILE A 44 0.926 2.200 6.360 1.00 5.46 C ATOM 702 O ILE A 44 0.877 0.974 6.201 1.00 6.04 O ATOM 703 CB ILE A 44 -1.116 3.264 7.486 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.181 4.366 7.398 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.207 3.569 8.694 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.600 3.969 6.939 1.00 13.90 C ATOM 0 H ILE A 44 -1.460 1.728 5.265 1.00 4.58 H new ATOM 0 HA ILE A 44 0.148 4.106 6.076 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.644 2.317 7.598 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.266 4.828 8.382 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.812 5.133 6.717 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.817 3.677 9.591 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.500 2.751 8.833 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.339 4.495 8.514 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.239 4.852 6.927 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.552 3.542 5.937 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -4.013 3.232 7.628 1.00 13.90 H new ATOM 718 N PHE A 45 2.087 2.847 6.696 1.00 6.75 N ATOM 719 CA PHE A 45 3.300 2.167 6.938 1.00 4.70 C ATOM 720 C PHE A 45 3.930 2.714 8.240 1.00 6.34 C ATOM 721 O PHE A 45 4.405 3.906 8.317 1.00 5.45 O ATOM 722 CB PHE A 45 4.297 2.329 5.780 1.00 5.51 C ATOM 723 CG PHE A 45 5.694 1.801 5.976 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.864 0.485 6.416 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.779 2.627 5.763 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.175 -0.061 6.475 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.078 2.136 5.840 1.00 6.64 C ATOM 728 CZ PHE A 45 8.274 0.738 6.061 1.00 6.84 C ATOM 0 H PHE A 45 2.156 3.860 6.794 1.00 6.75 H new ATOM 0 HA PHE A 45 3.078 1.104 7.032 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.874 1.839 4.903 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.370 3.391 5.547 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.010 -0.109 6.707 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.617 3.670 5.533 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.333 -1.069 6.829 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.924 2.800 5.735 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.247 0.294 5.915 1.00 6.84 H new ATOM 738 N ALA A 46 4.094 1.895 9.314 1.00 6.53 N ATOM 739 CA ALA A 46 4.834 2.164 10.537 1.00 7.15 C ATOM 740 C ALA A 46 4.357 3.455 11.254 1.00 9.00 C ATOM 741 O ALA A 46 5.052 4.140 11.969 1.00 11.15 O ATOM 742 CB ALA A 46 6.413 1.996 10.332 1.00 8.99 C ATOM 0 H ALA A 46 3.674 0.966 9.329 1.00 6.53 H new ATOM 0 HA ALA A 46 4.590 1.388 11.263 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.926 2.206 11.270 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.633 0.975 10.019 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.757 2.692 9.567 1.00 8.99 H new ATOM 748 N GLY A 47 3.020 3.656 11.139 1.00 9.35 N ATOM 749 CA GLY A 47 2.186 4.646 11.746 1.00 11.68 C ATOM 750 C GLY A 47 2.105 5.893 10.948 1.00 11.14 C ATOM 751 O GLY A 47 1.628 6.875 11.449 1.00 13.93 O ATOM 0 H GLY A 47 2.467 3.041 10.543 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.184 4.239 11.879 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.570 4.879 12.739 1.00 11.68 H new ATOM 755 N LYS A 48 2.619 5.919 9.726 1.00 10.47 N ATOM 756 CA LYS A 48 2.704 7.146 8.950 1.00 8.82 C ATOM 757 C LYS A 48 2.091 6.832 7.569 1.00 7.68 C ATOM 758 O LYS A 48 2.447 5.838 6.913 1.00 6.47 O ATOM 759 CB LYS A 48 4.161 7.554 8.848 1.00 9.74 C ATOM 760 CG LYS A 48 4.341 8.936 8.234 1.00 14.14 C ATOM 761 CD LYS A 48 5.850 9.352 8.317 1.00 16.32 C ATOM 762 CE LYS A 48 6.341 9.654 9.749 1.00 20.04 C ATOM 763 NZ LYS A 48 6.159 11.062 10.153 1.00 23.92 N ATOM 0 H LYS A 48 2.986 5.096 9.248 1.00 10.47 H new ATOM 0 HA LYS A 48 2.165 7.976 9.407 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.608 7.541 9.842 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.699 6.821 8.247 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.011 8.930 7.195 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.723 9.663 8.761 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.460 8.553 7.896 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.008 10.234 7.696 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.807 9.012 10.450 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.398 9.397 9.823 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.510 11.193 11.123 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.690 11.680 9.507 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.149 11.307 10.114 1.00 23.92 H new ATOM 777 N GLN A 49 1.099 7.621 7.074 1.00 8.89 N ATOM 778 CA GLN A 49 0.446 7.395 5.836 1.00 7.18 C ATOM 779 C GLN A 49 1.321 7.539 4.575 1.00 8.23 C ATOM 780 O GLN A 49 2.238 8.355 4.467 1.00 9.70 O ATOM 781 CB GLN A 49 -0.897 8.220 5.618 1.00 11.67 C ATOM 782 CG GLN A 49 -0.712 9.714 5.341 1.00 15.82 C ATOM 783 CD GLN A 49 -2.008 10.513 5.144 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.931 9.974 4.505 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.090 11.748 5.726 1.00 20.67 N ATOM 0 H GLN A 49 0.751 8.443 7.568 1.00 8.89 H new ATOM 0 HA GLN A 49 0.194 6.340 5.948 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.444 7.778 4.785 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.521 8.107 6.504 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.157 10.154 6.169 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -0.096 9.827 4.449 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.291 12.126 6.235 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -2.950 12.291 5.651 1.00 20.67 H new ATOM 794 N LEU A 50 0.947 6.722 3.595 1.00 6.51 N ATOM 795 CA LEU A 50 1.715 6.708 2.349 1.00 7.41 C ATOM 796 C LEU A 50 0.907 7.480 1.290 1.00 8.27 C ATOM 797 O LEU A 50 -0.288 7.254 1.081 1.00 8.34 O ATOM 798 CB LEU A 50 1.879 5.242 1.896 1.00 7.13 C ATOM 799 CG LEU A 50 2.692 4.354 2.834 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.558 2.939 2.326 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.191 4.771 2.792 1.00 9.11 C ATOM 0 H LEU A 50 0.151 6.085 3.630 1.00 6.51 H new ATOM 0 HA LEU A 50 2.696 7.164 2.484 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.888 4.804 1.776 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.352 5.234 0.914 1.00 7.13 H new ATOM 0 HG LEU A 50 2.334 4.446 3.859 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.126 2.266 2.969 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.508 2.648 2.333 1.00 8.14 H new ATOM 0 HD13 LEU A 50 2.944 2.880 1.308 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.765 4.133 3.464 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.571 4.663 1.776 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.289 5.810 3.107 1.00 9.11 H new ATOM 813 N GLU A 51 1.517 8.513 0.631 1.00 9.43 N ATOM 814 CA GLU A 51 0.937 9.296 -0.416 1.00 11.90 C ATOM 815 C GLU A 51 1.272 8.829 -1.850 1.00 11.49 C ATOM 816 O GLU A 51 2.383 8.416 -2.136 1.00 9.88 O ATOM 817 CB GLU A 51 1.382 10.790 -0.233 1.00 16.56 C ATOM 818 CG GLU A 51 0.952 11.520 1.092 1.00 26.06 C ATOM 819 CD GLU A 51 1.439 12.935 1.081 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.873 13.794 0.370 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.441 13.229 1.783 1.00 32.13 O ATOM 0 H GLU A 51 2.469 8.805 0.854 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.142 9.174 -0.321 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.469 10.827 -0.300 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.991 11.363 -1.074 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.133 11.502 1.191 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.360 10.994 1.955 1.00 26.06 H new ATOM 828 N ASP A 52 0.296 8.884 -2.726 1.00 12.71 N ATOM 829 CA ASP A 52 0.192 8.146 -3.980 1.00 16.56 C ATOM 830 C ASP A 52 1.376 8.333 -4.973 1.00 15.83 C ATOM 831 O ASP A 52 1.957 7.421 -5.488 1.00 17.21 O ATOM 832 CB ASP A 52 -1.130 8.673 -4.684 1.00 21.05 C ATOM 833 CG ASP A 52 -2.376 8.229 -3.933 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.571 7.043 -3.743 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.267 9.051 -3.605 1.00 28.37 O ATOM 0 H ASP A 52 -0.511 9.490 -2.577 1.00 12.71 H new ATOM 0 HA ASP A 52 0.193 7.084 -3.734 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.105 9.761 -4.739 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.170 8.303 -5.709 1.00 21.05 H new ATOM 840 N GLY A 53 1.729 9.618 -5.220 1.00 15.00 N ATOM 841 CA GLY A 53 2.798 10.021 -6.119 1.00 11.77 C ATOM 842 C GLY A 53 4.253 9.895 -5.625 1.00 11.10 C ATOM 843 O GLY A 53 5.209 10.210 -6.274 1.00 11.25 O ATOM 0 H GLY A 53 1.257 10.409 -4.781 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.704 9.433 -7.032 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.628 11.063 -6.392 1.00 11.77 H new ATOM 847 N ARG A 54 4.367 9.421 -4.359 1.00 8.53 N ATOM 848 CA ARG A 54 5.667 9.176 -3.822 1.00 9.05 C ATOM 849 C ARG A 54 6.116 7.758 -3.999 1.00 8.96 C ATOM 850 O ARG A 54 5.361 6.882 -4.249 1.00 11.60 O ATOM 851 CB ARG A 54 5.674 9.404 -2.331 1.00 7.97 C ATOM 852 CG ARG A 54 5.466 10.826 -1.929 1.00 9.62 C ATOM 853 CD ARG A 54 6.790 11.559 -1.965 1.00 12.20 C ATOM 854 NE ARG A 54 6.639 12.915 -1.424 1.00 18.23 N ATOM 855 CZ ARG A 54 7.593 13.873 -1.426 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.862 13.615 -1.761 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.291 15.057 -0.914 1.00 23.38 N ATOM 0 H ARG A 54 3.587 9.217 -3.735 1.00 8.53 H new ATOM 0 HA ARG A 54 6.327 9.856 -4.360 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.894 8.792 -1.877 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.626 9.059 -1.926 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.755 11.305 -2.602 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.039 10.873 -0.927 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.533 11.010 -1.386 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.158 11.608 -2.990 1.00 12.20 H new ATOM 0 HE ARG A 54 5.738 13.155 -1.011 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.137 12.669 -2.027 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.554 14.364 -1.751 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.360 15.225 -0.533 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.989 15.800 -0.901 1.00 23.38 H new ATOM 871 N THR A 55 7.419 7.424 -3.931 1.00 9.05 N ATOM 872 CA THR A 55 7.934 6.091 -4.283 1.00 9.03 C ATOM 873 C THR A 55 8.251 5.416 -2.937 1.00 8.15 C ATOM 874 O THR A 55 8.507 6.031 -1.912 1.00 5.91 O ATOM 875 CB THR A 55 9.144 5.996 -5.226 1.00 11.15 C ATOM 876 OG1 THR A 55 10.223 6.791 -4.807 1.00 11.95 O ATOM 877 CG2 THR A 55 8.815 6.452 -6.674 1.00 11.71 C ATOM 0 H THR A 55 8.144 8.074 -3.629 1.00 9.05 H new ATOM 0 HA THR A 55 7.164 5.606 -4.882 1.00 9.03 H new ATOM 0 HB THR A 55 9.409 4.939 -5.203 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.031 6.240 -4.744 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.707 6.363 -7.295 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.024 5.823 -7.083 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.483 7.490 -6.662 1.00 11.71 H new ATOM 885 N LEU A 56 8.268 4.085 -3.005 1.00 6.91 N ATOM 886 CA LEU A 56 8.906 3.136 -2.098 1.00 8.29 C ATOM 887 C LEU A 56 10.285 3.480 -1.635 1.00 8.05 C ATOM 888 O LEU A 56 10.580 3.607 -0.445 1.00 10.17 O ATOM 889 CB LEU A 56 8.777 1.730 -2.772 1.00 6.60 C ATOM 890 CG LEU A 56 7.363 1.090 -3.067 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.457 0.273 -4.371 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.915 0.176 -1.936 1.00 8.64 C ATOM 0 H LEU A 56 7.792 3.602 -3.766 1.00 6.91 H new ATOM 0 HA LEU A 56 8.386 3.160 -1.140 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.307 1.783 -3.723 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.321 1.025 -2.143 1.00 6.60 H new ATOM 0 HG LEU A 56 6.631 1.892 -3.160 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.488 -0.176 -4.590 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.746 0.930 -5.192 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.203 -0.513 -4.255 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.939 -0.246 -2.174 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.638 -0.630 -1.812 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.847 0.748 -1.011 1.00 8.64 H new ATOM 904 N SER A 57 11.194 3.826 -2.590 1.00 8.92 N ATOM 905 CA SER A 57 12.478 4.550 -2.329 1.00 9.00 C ATOM 906 C SER A 57 12.476 5.884 -1.615 1.00 9.44 C ATOM 907 O SER A 57 13.328 6.069 -0.737 1.00 10.91 O ATOM 908 CB SER A 57 13.277 4.602 -3.598 1.00 10.32 C ATOM 909 OG SER A 57 12.522 5.223 -4.634 1.00 13.59 O ATOM 0 H SER A 57 11.056 3.608 -3.577 1.00 8.92 H new ATOM 0 HA SER A 57 12.940 3.938 -1.554 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.201 5.155 -3.431 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.559 3.593 -3.899 1.00 10.32 H new ATOM 0 HG SER A 57 11.939 4.559 -5.057 1.00 13.59 H new ATOM 915 N ASP A 58 11.482 6.729 -1.906 1.00 9.11 N ATOM 916 CA ASP A 58 11.399 8.061 -1.181 1.00 7.91 C ATOM 917 C ASP A 58 11.087 7.855 0.251 1.00 9.12 C ATOM 918 O ASP A 58 11.762 8.487 1.080 1.00 8.61 O ATOM 919 CB ASP A 58 10.412 8.989 -1.999 1.00 8.41 C ATOM 920 CG ASP A 58 10.326 10.452 -1.572 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.780 10.978 -0.493 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.772 11.212 -2.405 1.00 11.70 O ATOM 0 H ASP A 58 10.748 6.557 -2.593 1.00 9.11 H new ATOM 0 HA ASP A 58 12.353 8.587 -1.148 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.708 8.959 -3.047 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.413 8.558 -1.938 1.00 8.41 H new ATOM 927 N TYR A 59 10.134 6.928 0.545 1.00 7.97 N ATOM 928 CA TYR A 59 9.739 6.601 1.918 1.00 8.45 C ATOM 929 C TYR A 59 10.722 5.723 2.665 1.00 10.98 C ATOM 930 O TYR A 59 10.699 5.609 3.919 1.00 12.95 O ATOM 931 CB TYR A 59 8.365 5.883 1.965 1.00 7.94 C ATOM 932 CG TYR A 59 7.309 6.937 1.851 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.100 7.956 2.781 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.294 6.781 0.846 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.031 8.890 2.745 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.203 7.666 0.832 1.00 6.52 C ATOM 937 CZ TYR A 59 5.041 8.688 1.831 1.00 6.76 C ATOM 938 OH TYR A 59 3.880 9.460 1.874 1.00 7.63 O ATOM 0 H TYR A 59 9.630 6.398 -0.166 1.00 7.97 H new ATOM 0 HA TYR A 59 9.700 7.574 2.409 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.279 5.163 1.151 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.254 5.326 2.896 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.807 8.041 3.593 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.369 5.993 0.111 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.004 9.733 3.420 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.465 7.576 0.049 1.00 6.52 H new ATOM 0 HH TYR A 59 3.353 9.214 2.663 1.00 7.63 H new ATOM 948 N ASN A 60 11.743 5.090 1.952 1.00 12.38 N ATOM 949 CA ASN A 60 12.758 4.249 2.486 1.00 13.94 C ATOM 950 C ASN A 60 12.163 2.879 2.789 1.00 14.16 C ATOM 951 O ASN A 60 12.480 2.279 3.862 1.00 14.26 O ATOM 952 CB ASN A 60 13.553 4.746 3.728 1.00 19.23 C ATOM 953 CG ASN A 60 14.309 6.002 3.369 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.260 6.032 2.589 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.841 7.173 3.876 1.00 24.09 N ATOM 0 H ASN A 60 11.830 5.198 0.941 1.00 12.38 H new ATOM 0 HA ASN A 60 13.511 4.234 1.698 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.871 4.943 4.555 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.246 3.974 4.063 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.277 8.055 3.608 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.053 7.170 4.524 1.00 24.09 H new ATOM 962 N ILE A 61 11.374 2.251 1.944 1.00 11.08 N ATOM 963 CA ILE A 61 10.623 1.030 2.156 1.00 11.78 C ATOM 964 C ILE A 61 11.508 -0.132 1.740 1.00 13.74 C ATOM 965 O ILE A 61 11.747 -0.317 0.573 1.00 14.60 O ATOM 966 CB ILE A 61 9.203 1.020 1.563 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.314 2.131 2.186 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.571 -0.321 1.925 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.914 2.216 1.656 1.00 11.42 C ATOM 0 H ILE A 61 11.228 2.616 1.003 1.00 11.08 H new ATOM 0 HA ILE A 61 10.388 0.937 3.216 1.00 11.78 H new ATOM 0 HB ILE A 61 9.270 1.185 0.488 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.266 1.971 3.263 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.802 3.093 2.028 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.560 -0.367 1.521 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.168 -1.130 1.503 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.534 -0.425 3.009 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.383 3.024 2.159 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.942 2.412 0.584 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.398 1.273 1.839 1.00 11.42 H new ATOM 981 N GLN A 62 12.009 -0.840 2.694 1.00 13.97 N ATOM 982 CA GLN A 62 12.875 -1.973 2.496 1.00 15.52 C ATOM 983 C GLN A 62 12.044 -3.257 2.643 1.00 13.94 C ATOM 984 O GLN A 62 11.029 -3.238 3.295 1.00 12.15 O ATOM 985 CB GLN A 62 13.959 -1.824 3.616 1.00 19.53 C ATOM 986 CG GLN A 62 14.877 -0.621 3.505 1.00 26.38 C ATOM 987 CD GLN A 62 15.699 -0.553 4.765 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.646 -1.302 5.035 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.316 0.421 5.646 1.00 32.71 N ATOM 0 H GLN A 62 11.824 -0.644 3.678 1.00 13.97 H new ATOM 0 HA GLN A 62 13.342 -2.021 1.512 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.452 -1.780 4.580 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.573 -2.724 3.620 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.523 -0.712 2.632 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.296 0.293 3.378 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.535 1.036 5.418 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.812 0.532 6.530 1.00 32.71 H new ATOM 998 N LYS A 63 12.602 -4.332 2.035 1.00 11.73 N ATOM 999 CA LYS A 63 11.966 -5.639 1.959 1.00 11.97 C ATOM 1000 C LYS A 63 11.367 -6.248 3.183 1.00 10.41 C ATOM 1001 O LYS A 63 11.845 -6.035 4.278 1.00 9.59 O ATOM 1002 CB LYS A 63 12.943 -6.684 1.349 1.00 13.73 C ATOM 1003 CG LYS A 63 14.174 -6.993 2.270 1.00 16.98 C ATOM 1004 CD LYS A 63 15.042 -8.194 1.795 1.00 20.19 C ATOM 1005 CE LYS A 63 16.119 -8.583 2.801 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.515 -8.847 4.129 1.00 25.97 N ATOM 0 H LYS A 63 13.516 -4.300 1.584 1.00 11.73 H new ATOM 0 HA LYS A 63 11.104 -5.403 1.336 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.400 -7.610 1.157 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.301 -6.318 0.386 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.803 -6.105 2.326 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.816 -7.195 3.280 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.396 -9.053 1.612 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.513 -7.942 0.845 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.648 -9.470 2.452 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.856 -7.784 2.882 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.145 -9.463 4.681 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.381 -7.948 4.634 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.595 -9.315 4.005 1.00 25.97 H new ATOM 1020 N GLU A 64 10.177 -6.947 3.021 1.00 10.04 N ATOM 1021 CA GLU A 64 9.511 -7.731 4.062 1.00 10.94 C ATOM 1022 C GLU A 64 8.764 -6.811 4.997 1.00 9.74 C ATOM 1023 O GLU A 64 8.172 -7.178 6.023 1.00 9.42 O ATOM 1024 CB GLU A 64 10.467 -8.739 4.745 1.00 18.31 C ATOM 1025 CG GLU A 64 10.951 -9.819 3.733 1.00 24.16 C ATOM 1026 CD GLU A 64 12.069 -10.655 4.284 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.188 -10.136 4.575 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.930 -11.916 4.391 1.00 32.61 O ATOM 0 H GLU A 64 9.672 -6.960 2.135 1.00 10.04 H new ATOM 0 HA GLU A 64 8.758 -8.375 3.607 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.326 -8.210 5.157 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.958 -9.220 5.581 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.114 -10.465 3.467 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.282 -9.332 2.816 1.00 24.16 H new ATOM 1035 N SER A 65 8.692 -5.491 4.614 1.00 6.85 N ATOM 1036 CA SER A 65 7.896 -4.489 5.354 1.00 6.90 C ATOM 1037 C SER A 65 6.455 -4.889 5.385 1.00 4.72 C ATOM 1038 O SER A 65 5.883 -5.416 4.441 1.00 3.91 O ATOM 1039 CB SER A 65 7.927 -3.139 4.685 1.00 7.28 C ATOM 1040 OG SER A 65 9.092 -2.388 4.984 1.00 10.56 O ATOM 0 H SER A 65 9.178 -5.114 3.800 1.00 6.85 H new ATOM 0 HA SER A 65 8.333 -4.436 6.351 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.859 -3.275 3.606 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.049 -2.570 4.991 1.00 7.28 H new ATOM 0 HG SER A 65 9.853 -2.752 4.485 1.00 10.56 H new ATOM 1046 N THR A 66 5.820 -4.612 6.542 1.00 4.48 N ATOM 1047 CA THR A 66 4.363 -4.809 6.680 1.00 3.80 C ATOM 1048 C THR A 66 3.686 -3.531 6.245 1.00 4.60 C ATOM 1049 O THR A 66 3.923 -2.512 6.926 1.00 5.33 O ATOM 1050 CB THR A 66 3.966 -5.164 8.112 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.551 -6.448 8.413 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.430 -5.409 8.146 1.00 3.40 C ATOM 0 H THR A 66 6.283 -4.258 7.379 1.00 4.48 H new ATOM 0 HA THR A 66 4.051 -5.647 6.057 1.00 3.80 H new ATOM 0 HB THR A 66 4.278 -4.375 8.796 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.317 -6.707 9.329 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.125 -5.664 9.161 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.910 -4.505 7.827 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.177 -6.229 7.474 1.00 3.40 H new ATOM 1060 N LEU A 67 2.822 -3.495 5.246 1.00 4.17 N ATOM 1061 CA LEU A 67 1.891 -2.394 4.976 1.00 3.85 C ATOM 1062 C LEU A 67 0.563 -2.772 5.683 1.00 3.80 C ATOM 1063 O LEU A 67 0.276 -3.926 5.938 1.00 5.54 O ATOM 1064 CB LEU A 67 1.724 -2.059 3.419 1.00 7.18 C ATOM 1065 CG LEU A 67 2.822 -1.094 2.822 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.250 -1.649 2.962 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.590 -0.804 1.330 1.00 11.66 C ATOM 0 H LEU A 67 2.740 -4.256 4.571 1.00 4.17 H new ATOM 0 HA LEU A 67 2.280 -1.456 5.373 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.740 -2.993 2.858 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.743 -1.610 3.263 1.00 7.18 H new ATOM 0 HG LEU A 67 2.726 -0.179 3.407 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.959 -0.941 2.533 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.480 -1.800 4.017 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.324 -2.600 2.435 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.370 -0.136 0.964 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.619 -1.738 0.769 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.616 -0.332 1.198 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.171 -1.739 6.061 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.542 -1.851 6.553 1.00 4.17 C ATOM 1081 C HIS A 68 -2.435 -1.182 5.515 1.00 5.32 C ATOM 1082 O HIS A 68 -2.035 -0.159 4.956 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.746 -1.059 7.859 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.797 -1.453 8.921 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.875 -2.649 9.538 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.358 -0.834 9.342 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.231 -2.775 10.290 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.011 -1.698 10.167 1.00 16.30 N ATOM 0 H HIS A 68 0.172 -0.779 6.036 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.767 -2.903 6.727 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.634 0.006 7.654 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.765 -1.210 8.215 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.687 0.157 9.068 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.458 -3.630 10.909 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.920 -1.551 10.606 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.606 -1.764 5.177 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.546 -1.396 4.135 1.00 3.97 C ATOM 1098 C LEU A 69 -5.883 -1.050 4.743 1.00 5.07 C ATOM 1099 O LEU A 69 -6.529 -1.929 5.330 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.691 -2.537 3.148 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.842 -2.423 2.179 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.769 -1.136 1.270 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.729 -3.705 1.354 1.00 9.96 C ATOM 0 H LEU A 69 -3.935 -2.584 5.688 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.170 -0.521 3.606 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.766 -2.618 2.577 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.802 -3.465 3.708 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.798 -2.317 2.692 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.626 -1.117 0.597 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.781 -0.246 1.898 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.849 -1.155 0.685 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.525 -3.730 0.609 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.762 -3.731 0.852 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.820 -4.570 2.011 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.353 0.175 4.650 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.644 0.514 5.192 1.00 6.26 C ATOM 1117 C VAL A 70 -8.342 1.360 4.118 1.00 9.22 C ATOM 1118 O VAL A 70 -7.721 1.687 3.096 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.647 1.323 6.554 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.897 0.425 7.533 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.935 2.680 6.308 1.00 8.54 C ATOM 0 H VAL A 70 -5.859 0.949 4.205 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.143 -0.424 5.437 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.637 1.557 6.945 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.851 0.909 8.509 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.418 -0.528 7.625 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.886 0.251 7.166 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.923 3.258 7.232 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.911 2.500 5.980 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.470 3.237 5.539 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.663 1.660 4.254 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.414 2.172 3.152 1.00 16.06 C ATOM 1133 C LEU A 71 -10.343 3.700 3.041 1.00 18.09 C ATOM 1134 O LEU A 71 -10.168 4.418 4.002 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.857 1.686 3.056 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.089 0.180 2.860 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.594 -0.040 2.763 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.336 -0.419 1.644 1.00 19.57 C ATOM 0 H LEU A 71 -10.194 1.546 5.118 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.907 1.739 2.290 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.375 1.990 3.966 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.333 2.210 2.227 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.673 -0.353 3.715 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.798 -1.101 2.623 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -14.072 0.304 3.681 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.990 0.520 1.916 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.550 -1.485 1.573 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.664 0.079 0.732 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.264 -0.272 1.772 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.460 4.279 1.825 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.550 5.699 1.580 1.00 25.83 C ATOM 1152 C ARG A 72 -11.919 6.120 1.214 1.00 27.74 C ATOM 1153 O ARG A 72 -12.385 5.901 0.109 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.562 6.048 0.450 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.257 7.531 0.273 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.247 7.836 -0.751 1.00 34.05 C ATOM 1157 NE ARG A 72 -7.991 9.331 -0.803 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.295 9.936 -1.811 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.758 9.311 -2.794 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -7.192 11.230 -1.814 1.00 35.02 N ATOM 0 H ARG A 72 -10.494 3.730 0.966 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.298 6.233 2.497 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.625 5.523 0.637 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.961 5.664 -0.488 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.181 8.049 0.017 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -8.919 7.934 1.228 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.320 7.308 -0.527 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.587 7.483 -1.725 1.00 34.05 H new ATOM 0 HE ARG A 72 -8.356 9.912 -0.049 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.837 8.296 -2.857 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.252 9.829 -3.512 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -7.627 11.778 -1.072 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -6.676 11.699 -2.559 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.684 6.780 2.103 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.000 7.351 1.759 1.00 30.76 C ATOM 1176 C LEU A 73 -13.755 8.783 1.105 1.00 32.18 C ATOM 1177 O LEU A 73 -12.810 9.468 1.490 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.999 7.429 2.970 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.758 6.118 3.387 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.512 6.278 4.762 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.785 5.671 2.334 1.00 29.11 C ATOM 0 H LEU A 73 -12.410 6.932 3.074 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.489 6.681 1.052 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.444 7.784 3.838 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.746 8.188 2.738 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.979 5.361 3.479 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.022 5.346 5.008 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.793 6.516 5.546 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.244 7.082 4.684 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.280 4.761 2.672 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.527 6.457 2.193 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.277 5.478 1.389 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.618 9.175 0.152 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.567 10.542 -0.480 1.00 35.33 C ATOM 1195 C ARG A 74 -14.723 11.711 0.471 1.00 36.22 C ATOM 1196 O ARG A 74 -15.406 11.616 1.460 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.550 10.667 -1.647 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.280 9.792 -2.865 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.971 10.031 -3.672 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.104 9.096 -4.861 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.339 9.237 -5.906 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.424 10.208 -6.004 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.383 8.405 -6.932 1.00 41.93 N ATOM 0 H ARG A 74 -15.364 8.580 -0.209 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.545 10.613 -0.854 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.549 10.436 -1.277 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.563 11.708 -1.971 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.281 8.753 -2.535 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.119 9.909 -3.551 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -13.880 11.070 -3.988 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.087 9.800 -3.078 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.799 8.350 -4.841 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.304 10.875 -5.242 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -11.846 10.281 -6.841 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.033 7.619 -6.923 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.767 8.549 -7.732 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.988 12.834 0.204 1.00 36.31 N ATOM 1218 CA GLY A 75 -14.113 13.995 1.086 1.00 36.07 C ATOM 1219 C GLY A 75 -13.166 14.033 2.331 1.00 36.16 C ATOM 1220 O GLY A 75 -13.050 15.057 2.997 1.00 36.26 O ATOM 0 H GLY A 75 -13.341 12.942 -0.577 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.935 14.893 0.495 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.143 14.045 1.439 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.456 12.953 2.732 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.778 12.935 3.978 1.00 36.19 C ATOM 1226 C GLY A 76 -10.498 12.086 3.928 1.00 36.20 C ATOM 1227 O GLY A 76 -10.379 11.172 4.748 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.652 12.175 3.047 1.00 0.00 O ATOM 0 H GLY A 76 -12.359 12.098 2.185 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.525 13.955 4.267 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.443 12.542 4.747 1.00 36.19 H new TER 1232 GLY A 76