USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 7 THR OG1 : rot 180:sc= 0.523 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0422 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 175:sc= 1.12 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 160:sc= 0.954 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0136 (180deg=-0.0136) USER MOD Single : A 1 MET N :NH3+ 147:sc= 1.32 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.224 K(o=-0.22,f=-4!) USER MOD Single : A 11 LYS NZ :NH3+ -94:sc= 0.686 (180deg=-0.592!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.531 K(o=-0.53,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 1.24 (180deg=1.13) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.186 (180deg=0.182) USER MOD Single : A 31 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.1!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.16) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 41 GLN : amide:sc= 0.801 K(o=0.8,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.509 K(o=0.51,f=-6.6!) USER MOD Single : A 55 THR OG1 : rot -28:sc= 1.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.604 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.00316 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=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.776 -7.249 -5.113 1.00 9.67 N ATOM 2 CA MET A 1 11.523 -7.794 -3.740 1.00 10.38 C ATOM 3 C MET A 1 10.107 -8.046 -3.368 1.00 9.62 C ATOM 4 O MET A 1 9.300 -7.738 -4.195 1.00 9.62 O ATOM 5 CB MET A 1 12.142 -6.827 -2.680 1.00 13.77 C ATOM 6 CG MET A 1 11.312 -5.564 -2.444 1.00 16.29 C ATOM 7 SD MET A 1 12.183 -4.277 -1.545 1.00 17.17 S ATOM 8 CE MET A 1 10.895 -3.022 -1.568 1.00 16.11 C ATOM 0 H1 MET A 1 12.604 -6.621 -5.090 1.00 9.67 H new ATOM 0 H2 MET A 1 11.956 -8.034 -5.771 1.00 9.67 H new ATOM 0 H3 MET A 1 10.944 -6.713 -5.433 1.00 9.67 H new ATOM 0 HA MET A 1 11.993 -8.777 -3.755 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.254 -7.360 -1.736 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.142 -6.539 -3.004 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.991 -5.167 -3.407 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.410 -5.832 -1.893 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.247 -2.130 -1.051 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.651 -2.770 -2.600 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.005 -3.404 -1.067 1.00 16.11 H new ATOM 20 N GLN A 2 9.764 -8.538 -2.148 1.00 9.27 N ATOM 21 CA GLN A 2 8.400 -8.710 -1.678 1.00 9.07 C ATOM 22 C GLN A 2 8.097 -7.920 -0.460 1.00 8.72 C ATOM 23 O GLN A 2 8.945 -7.739 0.429 1.00 8.22 O ATOM 24 CB GLN A 2 8.002 -10.219 -1.432 1.00 14.46 C ATOM 25 CG GLN A 2 8.186 -11.336 -2.459 1.00 17.01 C ATOM 26 CD GLN A 2 7.161 -11.267 -3.580 1.00 20.10 C ATOM 27 OE1 GLN A 2 5.961 -11.108 -3.351 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.638 -11.503 -4.832 1.00 19.49 N ATOM 0 H GLN A 2 10.460 -8.828 -1.461 1.00 9.27 H new ATOM 0 HA GLN A 2 7.794 -8.328 -2.499 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.545 -10.534 -0.541 1.00 14.46 H new ATOM 0 HB3 GLN A 2 6.943 -10.215 -1.175 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.188 -11.275 -2.883 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.109 -12.302 -1.959 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.639 -11.629 -4.981 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.995 -11.554 -5.622 1.00 19.49 H new ATOM 37 N ILE A 3 6.826 -7.421 -0.295 1.00 5.87 N ATOM 38 CA ILE A 3 6.373 -6.842 0.966 1.00 5.07 C ATOM 39 C ILE A 3 5.032 -7.444 1.261 1.00 4.01 C ATOM 40 O ILE A 3 4.349 -7.986 0.386 1.00 4.61 O ATOM 41 CB ILE A 3 6.184 -5.328 0.800 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.221 -4.955 -0.368 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.572 -4.684 0.782 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.961 -3.440 -0.502 1.00 10.83 C ATOM 0 H ILE A 3 6.120 -7.420 -1.031 1.00 5.87 H new ATOM 0 HA ILE A 3 7.096 -7.034 1.759 1.00 5.07 H new ATOM 0 HB ILE A 3 5.648 -4.904 1.649 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.639 -5.326 -1.304 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.270 -5.466 -0.219 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.471 -3.605 0.665 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.086 -4.901 1.718 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.149 -5.087 -0.050 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.282 -3.260 -1.336 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.513 -3.065 0.418 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.904 -2.924 -0.683 1.00 10.83 H new ATOM 56 N PHE A 4 4.626 -7.342 2.551 1.00 4.55 N ATOM 57 CA PHE A 4 3.309 -7.857 3.073 1.00 4.68 C ATOM 58 C PHE A 4 2.358 -6.670 3.216 1.00 5.30 C ATOM 59 O PHE A 4 2.786 -5.627 3.668 1.00 5.58 O ATOM 60 CB PHE A 4 3.476 -8.578 4.417 1.00 4.83 C ATOM 61 CG PHE A 4 4.514 -9.678 4.235 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.381 -10.721 3.277 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.658 -9.645 5.078 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.422 -11.666 3.101 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.644 -10.624 4.947 1.00 10.61 C ATOM 66 CZ PHE A 4 6.558 -11.578 3.964 1.00 8.90 C ATOM 0 H PHE A 4 5.197 -6.900 3.272 1.00 4.55 H new ATOM 0 HA PHE A 4 2.904 -8.587 2.372 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.795 -7.877 5.188 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.526 -9.001 4.743 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.483 -10.793 2.681 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.764 -8.865 5.817 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.359 -12.429 2.339 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.484 -10.631 5.626 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.369 -12.280 3.839 1.00 8.90 H new ATOM 76 N VAL A 5 1.045 -6.806 2.972 1.00 4.44 N ATOM 77 CA VAL A 5 0.025 -5.794 3.323 1.00 3.87 C ATOM 78 C VAL A 5 -1.105 -6.490 4.188 1.00 4.93 C ATOM 79 O VAL A 5 -1.790 -7.455 3.855 1.00 6.84 O ATOM 80 CB VAL A 5 -0.650 -5.050 2.195 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.436 -3.802 2.761 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.425 -4.613 1.145 1.00 9.13 C ATOM 0 H VAL A 5 0.652 -7.632 2.519 1.00 4.44 H new ATOM 0 HA VAL A 5 0.594 -5.031 3.853 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.371 -5.703 1.703 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.919 -3.273 1.939 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.192 -4.139 3.470 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.740 -3.132 3.265 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.060 -4.076 0.330 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.157 -3.963 1.623 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.927 -5.496 0.750 1.00 9.13 H new ATOM 92 N LYS A 6 -1.413 -5.947 5.378 1.00 6.04 N ATOM 93 CA LYS A 6 -2.401 -6.505 6.292 1.00 6.12 C ATOM 94 C LYS A 6 -3.699 -5.687 6.166 1.00 6.57 C ATOM 95 O LYS A 6 -3.660 -4.488 5.975 1.00 5.76 O ATOM 96 CB LYS A 6 -1.871 -6.417 7.756 1.00 7.45 C ATOM 97 CG LYS A 6 -1.321 -7.795 8.212 1.00 11.12 C ATOM 98 CD LYS A 6 -0.601 -7.774 9.522 1.00 14.54 C ATOM 99 CE LYS A 6 -0.297 -9.114 10.039 1.00 18.84 C ATOM 100 NZ LYS A 6 0.233 -10.180 9.058 1.00 20.55 N ATOM 0 H LYS A 6 -0.972 -5.097 5.729 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.589 -7.550 6.045 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.085 -5.664 7.821 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.673 -6.099 8.422 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.151 -8.499 8.279 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.644 -8.173 7.446 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.329 -7.216 9.409 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.207 -7.239 10.253 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.438 -9.003 10.836 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.205 -9.507 10.496 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.480 -11.043 9.583 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.501 -10.401 8.355 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.078 -9.816 8.573 1.00 20.55 H new ATOM 114 N THR A 7 -4.884 -6.325 6.376 1.00 7.41 N ATOM 115 CA THR A 7 -6.149 -5.625 6.066 1.00 7.48 C ATOM 116 C THR A 7 -6.924 -5.464 7.344 1.00 8.75 C ATOM 117 O THR A 7 -6.532 -6.019 8.383 1.00 8.58 O ATOM 118 CB THR A 7 -6.970 -6.406 5.020 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.425 -7.647 5.561 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.020 -6.818 3.875 1.00 9.17 C ATOM 0 H THR A 7 -4.984 -7.273 6.739 1.00 7.41 H new ATOM 0 HA THR A 7 -5.933 -4.646 5.638 1.00 7.48 H new ATOM 0 HB THR A 7 -7.801 -5.775 4.704 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.945 -8.128 4.884 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.578 -7.373 3.121 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.587 -5.926 3.422 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.223 -7.447 4.272 1.00 9.17 H new ATOM 128 N LEU A 8 -7.989 -4.628 7.325 1.00 9.84 N ATOM 129 CA LEU A 8 -8.799 -4.433 8.465 1.00 14.15 C ATOM 130 C LEU A 8 -9.415 -5.680 9.040 1.00 17.37 C ATOM 131 O LEU A 8 -9.549 -5.695 10.273 1.00 17.01 O ATOM 132 CB LEU A 8 -9.924 -3.433 8.106 1.00 16.63 C ATOM 133 CG LEU A 8 -9.461 -2.024 7.711 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.643 -1.137 7.376 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.510 -1.369 8.729 1.00 18.59 C ATOM 0 H LEU A 8 -8.277 -4.091 6.507 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.134 -4.054 9.242 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.505 -3.849 7.283 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.596 -3.349 8.960 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.861 -2.144 6.809 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.286 -0.145 7.100 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.197 -1.569 6.543 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.297 -1.059 8.245 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.229 -0.376 8.378 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.012 -1.284 9.693 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.616 -1.982 8.838 1.00 18.59 H new ATOM 147 N THR A 9 -9.761 -6.712 8.239 1.00 18.33 N ATOM 148 CA THR A 9 -10.268 -7.978 8.653 1.00 19.24 C ATOM 149 C THR A 9 -9.194 -9.023 9.038 1.00 19.48 C ATOM 150 O THR A 9 -9.402 -10.205 9.405 1.00 23.14 O ATOM 151 CB THR A 9 -11.126 -8.580 7.685 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.607 -8.521 6.387 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.414 -7.712 7.612 1.00 19.70 C ATOM 0 H THR A 9 -9.676 -6.648 7.225 1.00 18.33 H new ATOM 0 HA THR A 9 -10.828 -7.717 9.551 1.00 19.24 H new ATOM 0 HB THR A 9 -11.272 -9.618 7.986 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.232 -8.948 5.765 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.100 -8.139 6.880 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.894 -7.691 8.590 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.152 -6.697 7.314 1.00 19.70 H new ATOM 161 N GLY A 10 -7.890 -8.582 8.919 1.00 19.43 N ATOM 162 CA GLY A 10 -6.835 -9.502 9.325 1.00 18.74 C ATOM 163 C GLY A 10 -6.220 -10.346 8.292 1.00 17.62 C ATOM 164 O GLY A 10 -5.517 -11.334 8.569 1.00 19.74 O ATOM 0 H GLY A 10 -7.591 -7.670 8.573 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.043 -8.917 9.793 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.242 -10.159 10.094 1.00 18.74 H new ATOM 168 N LYS A 11 -6.450 -9.990 6.999 1.00 13.56 N ATOM 169 CA LYS A 11 -5.825 -10.730 5.856 1.00 11.91 C ATOM 170 C LYS A 11 -4.420 -10.296 5.740 1.00 10.18 C ATOM 171 O LYS A 11 -4.144 -9.158 6.080 1.00 9.10 O ATOM 172 CB LYS A 11 -6.585 -10.564 4.496 1.00 13.43 C ATOM 173 CG LYS A 11 -6.240 -11.676 3.475 1.00 16.69 C ATOM 174 CD LYS A 11 -7.076 -11.547 2.221 1.00 17.92 C ATOM 175 CE LYS A 11 -6.780 -12.615 1.152 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.764 -12.425 0.135 1.00 21.93 N ATOM 0 H LYS A 11 -7.049 -9.213 6.720 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.885 -11.796 6.075 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.659 -10.569 4.682 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.341 -9.593 4.065 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.182 -11.621 3.217 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.407 -12.653 3.928 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.130 -11.604 2.493 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.911 -10.560 1.788 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.774 -12.498 0.750 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.841 -13.618 1.573 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.572 -13.056 0.312 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.087 -11.437 0.145 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.350 -12.644 -0.794 1.00 21.93 H new ATOM 190 N THR A 12 -3.550 -11.205 5.298 1.00 9.63 N ATOM 191 CA THR A 12 -2.235 -10.776 4.847 1.00 9.85 C ATOM 192 C THR A 12 -2.097 -10.999 3.332 1.00 11.66 C ATOM 193 O THR A 12 -2.415 -12.096 2.959 1.00 12.33 O ATOM 194 CB THR A 12 -1.111 -11.433 5.595 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.333 -11.340 7.049 1.00 10.91 O ATOM 196 CG2 THR A 12 0.230 -10.629 5.466 1.00 9.63 C ATOM 0 H THR A 12 -3.726 -12.208 5.245 1.00 9.63 H new ATOM 0 HA THR A 12 -2.155 -9.710 5.062 1.00 9.85 H new ATOM 0 HB THR A 12 -1.067 -12.444 5.190 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.797 -12.021 7.506 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.016 -11.140 6.022 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.514 -10.561 4.416 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.093 -9.626 5.870 1.00 9.63 H new ATOM 204 N ILE A 13 -1.641 -10.013 2.523 1.00 10.42 N ATOM 205 CA ILE A 13 -1.447 -10.196 1.061 1.00 11.84 C ATOM 206 C ILE A 13 -0.027 -9.816 0.745 1.00 10.55 C ATOM 207 O ILE A 13 0.537 -8.864 1.331 1.00 11.92 O ATOM 208 CB ILE A 13 -2.512 -9.491 0.209 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.325 -7.915 0.195 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.842 -9.984 0.594 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.265 -7.160 -0.696 1.00 16.46 C ATOM 0 H ILE A 13 -1.400 -9.080 2.857 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.597 -11.240 0.788 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.390 -9.749 -0.843 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.441 -7.544 1.213 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.303 -7.691 -0.111 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.603 -9.487 -0.008 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.893 -11.060 0.427 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.018 -9.771 1.649 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.051 -6.093 -0.630 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.137 -7.493 -1.726 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.292 -7.344 -0.381 1.00 16.46 H new ATOM 223 N THR A 14 0.659 -10.544 -0.141 1.00 9.39 N ATOM 224 CA THR A 14 2.094 -10.361 -0.442 1.00 9.63 C ATOM 225 C THR A 14 2.143 -9.676 -1.744 1.00 11.20 C ATOM 226 O THR A 14 1.437 -10.041 -2.647 1.00 11.63 O ATOM 227 CB THR A 14 2.877 -11.636 -0.596 1.00 10.38 C ATOM 228 OG1 THR A 14 2.528 -12.497 0.439 1.00 16.30 O ATOM 229 CG2 THR A 14 4.375 -11.334 -0.540 1.00 11.66 C ATOM 0 H THR A 14 0.230 -11.294 -0.683 1.00 9.39 H new ATOM 0 HA THR A 14 2.539 -9.821 0.394 1.00 9.63 H new ATOM 0 HB THR A 14 2.651 -12.099 -1.556 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.030 -13.334 0.351 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.937 -12.261 -0.652 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.639 -10.650 -1.347 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.618 -10.876 0.419 1.00 11.66 H new ATOM 237 N LEU A 15 3.006 -8.615 -1.985 1.00 8.29 N ATOM 238 CA LEU A 15 3.119 -7.976 -3.236 1.00 9.03 C ATOM 239 C LEU A 15 4.587 -7.896 -3.731 1.00 8.59 C ATOM 240 O LEU A 15 5.523 -7.564 -2.986 1.00 7.79 O ATOM 241 CB LEU A 15 2.711 -6.425 -3.211 1.00 11.08 C ATOM 242 CG LEU A 15 1.264 -6.050 -2.687 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.157 -4.519 -2.672 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.185 -6.694 -3.526 1.00 15.27 C ATOM 0 H LEU A 15 3.620 -8.224 -1.270 1.00 8.29 H new ATOM 0 HA LEU A 15 2.464 -8.582 -3.862 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.438 -5.897 -2.593 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.811 -6.036 -4.224 1.00 11.08 H new ATOM 0 HG LEU A 15 1.115 -6.435 -1.678 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.169 -4.227 -2.315 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.919 -4.108 -2.010 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.307 -4.134 -3.681 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.794 -6.414 -3.137 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.276 -6.355 -4.558 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.294 -7.778 -3.489 1.00 15.27 H new ATOM 256 N GLU A 16 4.804 -8.102 -5.060 1.00 11.04 N ATOM 257 CA GLU A 16 6.092 -8.102 -5.750 1.00 11.50 C ATOM 258 C GLU A 16 6.350 -6.721 -6.304 1.00 10.13 C ATOM 259 O GLU A 16 5.597 -6.131 -7.036 1.00 9.83 O ATOM 260 CB GLU A 16 6.008 -9.175 -6.851 1.00 17.22 C ATOM 261 CG GLU A 16 7.309 -9.352 -7.599 1.00 23.33 C ATOM 262 CD GLU A 16 7.366 -10.613 -8.489 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.114 -11.722 -7.971 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.693 -10.466 -9.686 1.00 28.86 O ATOM 0 H GLU A 16 4.030 -8.281 -5.700 1.00 11.04 H new ATOM 0 HA GLU A 16 6.924 -8.339 -5.087 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.720 -10.126 -6.403 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.223 -8.904 -7.557 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.478 -8.474 -8.222 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.126 -9.393 -6.878 1.00 23.33 H new ATOM 271 N VAL A 17 7.449 -6.082 -5.712 1.00 8.99 N ATOM 272 CA VAL A 17 7.710 -4.661 -5.858 1.00 8.85 C ATOM 273 C VAL A 17 9.188 -4.473 -6.107 1.00 8.04 C ATOM 274 O VAL A 17 10.027 -5.305 -5.803 1.00 8.99 O ATOM 275 CB VAL A 17 7.297 -3.857 -4.621 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.800 -3.839 -4.471 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.828 -4.615 -3.313 1.00 10.54 C ATOM 0 H VAL A 17 8.138 -6.570 -5.140 1.00 8.99 H new ATOM 0 HA VAL A 17 7.115 -4.291 -6.693 1.00 8.85 H new ATOM 0 HB VAL A 17 7.699 -2.850 -4.732 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.530 -3.263 -3.586 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.351 -3.382 -5.353 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.433 -4.860 -4.365 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.540 -4.053 -2.425 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.391 -5.613 -3.268 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.914 -4.696 -3.355 1.00 10.54 H new ATOM 287 N GLU A 18 9.581 -3.318 -6.672 1.00 7.29 N ATOM 288 CA GLU A 18 10.935 -2.753 -6.529 1.00 7.08 C ATOM 289 C GLU A 18 10.874 -1.596 -5.547 1.00 6.45 C ATOM 290 O GLU A 18 9.819 -0.940 -5.384 1.00 5.28 O ATOM 291 CB GLU A 18 11.365 -2.310 -7.983 1.00 10.28 C ATOM 292 CG GLU A 18 11.459 -3.467 -9.049 1.00 12.65 C ATOM 293 CD GLU A 18 12.552 -4.386 -8.628 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.749 -3.987 -8.625 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.331 -5.618 -8.424 1.00 14.33 O ATOM 0 H GLU A 18 8.962 -2.745 -7.246 1.00 7.29 H new ATOM 0 HA GLU A 18 11.668 -3.456 -6.133 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.653 -1.567 -8.342 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.336 -1.818 -7.921 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.513 -4.004 -9.115 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.663 -3.059 -10.039 1.00 12.65 H new ATOM 302 N PRO A 19 12.023 -1.178 -4.993 1.00 7.24 N ATOM 303 CA PRO A 19 12.123 -0.091 -4.060 1.00 7.07 C ATOM 304 C PRO A 19 11.864 1.237 -4.752 1.00 6.65 C ATOM 305 O PRO A 19 11.371 2.226 -4.164 1.00 6.37 O ATOM 306 CB PRO A 19 13.543 -0.103 -3.527 1.00 7.61 C ATOM 307 CG PRO A 19 14.174 -1.476 -3.849 1.00 8.16 C ATOM 308 CD PRO A 19 13.224 -1.996 -4.984 1.00 7.49 C ATOM 0 HA PRO A 19 11.388 -0.206 -3.264 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.126 0.698 -3.982 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.546 0.073 -2.451 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.206 -1.384 -4.187 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.180 -2.138 -2.983 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.725 -1.943 -5.951 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.968 -3.042 -4.814 1.00 7.49 H new ATOM 316 N SER A 20 12.108 1.340 -6.098 1.00 6.80 N ATOM 317 CA SER A 20 11.706 2.468 -6.928 1.00 6.28 C ATOM 318 C SER A 20 10.373 2.433 -7.434 1.00 8.45 C ATOM 319 O SER A 20 9.985 3.318 -8.142 1.00 7.26 O ATOM 320 CB SER A 20 12.633 2.495 -8.145 1.00 8.57 C ATOM 321 OG SER A 20 13.946 2.933 -7.739 1.00 11.13 O ATOM 0 H SER A 20 12.600 0.616 -6.621 1.00 6.80 H new ATOM 0 HA SER A 20 11.765 3.342 -6.279 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.691 1.503 -8.593 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.233 3.166 -8.905 1.00 8.57 H new ATOM 0 HG SER A 20 14.541 2.949 -8.518 1.00 11.13 H new ATOM 327 N ASP A 21 9.497 1.439 -7.179 1.00 7.50 N ATOM 328 CA ASP A 21 8.058 1.586 -7.418 1.00 7.70 C ATOM 329 C ASP A 21 7.405 2.649 -6.637 1.00 7.08 C ATOM 330 O ASP A 21 7.601 2.758 -5.441 1.00 8.11 O ATOM 331 CB ASP A 21 7.306 0.256 -7.202 1.00 11.00 C ATOM 332 CG ASP A 21 7.644 -0.901 -8.107 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.918 -0.586 -9.306 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.434 -2.093 -7.764 1.00 18.03 O ATOM 0 H ASP A 21 9.767 0.528 -6.808 1.00 7.50 H new ATOM 0 HA ASP A 21 7.995 1.887 -8.464 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.478 -0.062 -6.174 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.239 0.456 -7.299 1.00 11.00 H new ATOM 339 N THR A 22 6.516 3.445 -7.233 1.00 5.37 N ATOM 340 CA THR A 22 5.687 4.390 -6.575 1.00 6.01 C ATOM 341 C THR A 22 4.478 3.725 -5.816 1.00 8.01 C ATOM 342 O THR A 22 4.093 2.595 -6.108 1.00 8.11 O ATOM 343 CB THR A 22 4.979 5.352 -7.605 1.00 8.92 C ATOM 344 OG1 THR A 22 4.212 4.607 -8.534 1.00 10.22 O ATOM 345 CG2 THR A 22 5.940 6.314 -8.397 1.00 9.65 C ATOM 0 H THR A 22 6.366 3.428 -8.242 1.00 5.37 H new ATOM 0 HA THR A 22 6.366 4.903 -5.894 1.00 6.01 H new ATOM 0 HB THR A 22 4.348 5.991 -6.988 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.778 5.219 -9.165 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.355 6.933 -9.078 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.475 6.953 -7.695 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.656 5.723 -8.968 1.00 9.65 H new ATOM 353 N ILE A 23 3.867 4.453 -4.857 1.00 8.32 N ATOM 354 CA ILE A 23 2.701 4.014 -4.055 1.00 9.92 C ATOM 355 C ILE A 23 1.422 3.893 -4.850 1.00 10.01 C ATOM 356 O ILE A 23 0.543 3.054 -4.557 1.00 8.71 O ATOM 357 CB ILE A 23 2.509 4.906 -2.849 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.641 5.101 -1.874 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.312 4.499 -2.017 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.190 3.803 -1.376 1.00 12.30 C ATOM 0 H ILE A 23 4.180 5.392 -4.611 1.00 8.32 H new ATOM 0 HA ILE A 23 2.935 3.004 -3.717 1.00 9.92 H new ATOM 0 HB ILE A 23 2.395 5.857 -3.370 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.437 5.670 -2.354 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.291 5.694 -1.029 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.217 5.170 -1.163 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.409 4.556 -2.626 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.446 3.477 -1.662 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.003 3.996 -0.677 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.402 3.245 -0.871 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.566 3.220 -2.217 1.00 12.30 H new ATOM 372 N GLU A 24 1.322 4.603 -6.009 1.00 9.54 N ATOM 373 CA GLU A 24 0.288 4.388 -7.013 1.00 11.81 C ATOM 374 C GLU A 24 0.445 2.995 -7.667 1.00 11.14 C ATOM 375 O GLU A 24 -0.561 2.408 -8.054 1.00 10.62 O ATOM 376 CB GLU A 24 0.472 5.565 -7.976 1.00 19.24 C ATOM 377 CG GLU A 24 -0.644 5.660 -9.043 1.00 27.76 C ATOM 378 CD GLU A 24 -0.302 6.826 -9.910 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.741 6.916 -10.669 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.109 7.802 -9.772 1.00 36.51 O ATOM 0 H GLU A 24 1.975 5.346 -6.257 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.728 4.371 -6.618 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.499 6.493 -7.404 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.436 5.470 -8.476 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.699 4.743 -9.630 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.618 5.797 -8.574 1.00 27.76 H new ATOM 387 N ASN A 25 1.688 2.518 -7.884 1.00 9.43 N ATOM 388 CA ASN A 25 1.968 1.220 -8.339 1.00 10.96 C ATOM 389 C ASN A 25 1.429 0.163 -7.408 1.00 9.68 C ATOM 390 O ASN A 25 0.876 -0.866 -7.820 1.00 9.33 O ATOM 391 CB ASN A 25 3.446 1.056 -8.828 1.00 16.78 C ATOM 392 CG ASN A 25 3.563 -0.126 -9.819 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.599 -0.589 -10.447 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.789 -0.724 -9.888 1.00 24.70 N ATOM 0 H ASN A 25 2.526 3.078 -7.729 1.00 9.43 H new ATOM 0 HA ASN A 25 1.404 1.046 -9.255 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.780 1.975 -9.309 1.00 16.78 H new ATOM 0 HB3 ASN A 25 4.101 0.887 -7.973 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.918 -1.559 -10.460 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.576 -0.336 -9.368 1.00 24.70 H new ATOM 401 N VAL A 26 1.669 0.331 -6.076 1.00 6.52 N ATOM 402 CA VAL A 26 1.253 -0.556 -5.039 1.00 5.53 C ATOM 403 C VAL A 26 -0.244 -0.754 -5.020 1.00 4.42 C ATOM 404 O VAL A 26 -0.731 -1.884 -4.992 1.00 3.40 O ATOM 405 CB VAL A 26 1.808 -0.043 -3.642 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.404 -1.014 -2.507 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.351 0.075 -3.583 1.00 8.12 C ATOM 0 H VAL A 26 2.183 1.136 -5.718 1.00 6.52 H new ATOM 0 HA VAL A 26 1.677 -1.540 -5.239 1.00 5.53 H new ATOM 0 HB VAL A 26 1.371 0.948 -3.520 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.793 -0.646 -1.558 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.317 -1.079 -2.453 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.817 -2.002 -2.710 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.651 0.431 -2.598 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.798 -0.902 -3.768 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.691 0.779 -4.342 1.00 8.12 H new ATOM 417 N LYS A 27 -1.084 0.358 -5.105 1.00 2.64 N ATOM 418 CA LYS A 27 -2.531 0.380 -5.100 1.00 4.14 C ATOM 419 C LYS A 27 -3.150 -0.454 -6.284 1.00 5.58 C ATOM 420 O LYS A 27 -4.062 -1.254 -5.991 1.00 4.11 O ATOM 421 CB LYS A 27 -3.163 1.782 -4.988 1.00 3.97 C ATOM 422 CG LYS A 27 -2.721 2.511 -3.673 1.00 7.45 C ATOM 423 CD LYS A 27 -3.079 3.965 -3.586 1.00 9.02 C ATOM 424 CE LYS A 27 -2.815 4.604 -2.187 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.248 5.985 -2.154 1.00 15.47 N ATOM 0 H LYS A 27 -0.697 1.299 -5.182 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.800 -0.118 -4.168 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.875 2.382 -5.851 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.249 1.695 -5.009 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.168 1.994 -2.824 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.640 2.415 -3.571 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.511 4.514 -4.337 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.134 4.084 -3.835 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.341 4.036 -1.420 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.752 4.547 -1.953 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.724 6.495 -1.415 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.065 6.428 -3.077 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.266 6.025 -1.947 1.00 15.47 H new ATOM 439 N ALA A 28 -2.551 -0.332 -7.481 1.00 6.61 N ATOM 440 CA ALA A 28 -2.723 -1.085 -8.687 1.00 7.74 C ATOM 441 C ALA A 28 -2.490 -2.626 -8.475 1.00 9.17 C ATOM 442 O ALA A 28 -3.320 -3.431 -8.886 1.00 11.45 O ATOM 443 CB ALA A 28 -2.009 -0.426 -9.877 1.00 7.68 C ATOM 0 H ALA A 28 -1.850 0.396 -7.618 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.773 -1.049 -8.977 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.163 -1.028 -10.773 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.414 0.573 -10.037 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.942 -0.355 -9.667 1.00 7.68 H new ATOM 449 N LYS A 29 -1.392 -3.073 -7.782 1.00 8.96 N ATOM 450 CA LYS A 29 -1.181 -4.412 -7.338 1.00 7.90 C ATOM 451 C LYS A 29 -2.249 -4.899 -6.335 1.00 6.92 C ATOM 452 O LYS A 29 -2.750 -6.027 -6.452 1.00 6.87 O ATOM 453 CB LYS A 29 0.256 -4.591 -6.777 1.00 10.28 C ATOM 454 CG LYS A 29 1.478 -4.404 -7.779 1.00 14.94 C ATOM 455 CD LYS A 29 2.843 -4.253 -7.045 1.00 19.69 C ATOM 456 CE LYS A 29 3.948 -3.606 -7.913 1.00 22.63 C ATOM 457 NZ LYS A 29 4.228 -4.428 -9.070 1.00 24.98 N ATOM 0 H LYS A 29 -0.624 -2.451 -7.529 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.288 -5.049 -8.216 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.385 -3.884 -5.958 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.325 -5.591 -6.349 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.525 -5.261 -8.451 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.304 -3.523 -8.397 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.698 -3.650 -6.148 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.180 -5.236 -6.717 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.633 -2.613 -8.233 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.855 -3.478 -7.322 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.910 -3.940 -9.686 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.629 -5.337 -8.761 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.347 -4.599 -9.596 1.00 24.98 H new ATOM 471 N ILE A 30 -2.636 -4.139 -5.341 1.00 4.57 N ATOM 472 CA ILE A 30 -3.606 -4.581 -4.285 1.00 5.58 C ATOM 473 C ILE A 30 -4.957 -4.730 -5.019 1.00 7.26 C ATOM 474 O ILE A 30 -5.705 -5.660 -4.679 1.00 9.46 O ATOM 475 CB ILE A 30 -3.753 -3.622 -3.078 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.428 -3.563 -2.342 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.957 -4.032 -2.189 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.403 -2.759 -0.963 1.00 2.00 C ATOM 0 H ILE A 30 -2.303 -3.184 -5.212 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.241 -5.504 -3.834 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.984 -2.610 -3.412 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.104 -4.585 -2.145 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.689 -3.117 -3.008 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.039 -3.343 -1.348 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.873 -3.996 -2.778 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.805 -5.045 -1.815 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.399 -2.793 -0.540 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.686 -1.722 -1.141 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.107 -3.212 -0.265 1.00 2.00 H new ATOM 490 N GLN A 31 -5.230 -3.941 -6.003 1.00 7.06 N ATOM 491 CA GLN A 31 -6.424 -4.007 -6.850 1.00 8.67 C ATOM 492 C GLN A 31 -6.383 -5.284 -7.667 1.00 10.90 C ATOM 493 O GLN A 31 -7.380 -6.035 -7.734 1.00 9.63 O ATOM 494 CB GLN A 31 -6.524 -2.814 -7.894 1.00 9.12 C ATOM 495 CG GLN A 31 -7.913 -2.834 -8.667 1.00 10.76 C ATOM 496 CD GLN A 31 -8.113 -1.682 -9.567 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.030 -0.863 -9.379 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.308 -1.638 -10.640 1.00 14.76 N ATOM 0 H GLN A 31 -4.604 -3.182 -6.272 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.277 -3.957 -6.173 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.409 -1.863 -7.374 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.706 -2.886 -8.611 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.981 -3.753 -9.249 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.723 -2.858 -7.938 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.569 -2.332 -10.752 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.436 -0.911 -11.344 1.00 14.76 H new ATOM 507 N ASP A 32 -5.222 -5.608 -8.221 1.00 10.93 N ATOM 508 CA ASP A 32 -5.031 -6.811 -8.988 1.00 14.01 C ATOM 509 C ASP A 32 -5.210 -8.003 -8.113 1.00 14.04 C ATOM 510 O ASP A 32 -5.809 -9.006 -8.499 1.00 13.39 O ATOM 511 CB ASP A 32 -3.683 -6.763 -9.768 1.00 18.01 C ATOM 512 CG ASP A 32 -3.521 -7.615 -10.977 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.065 -8.786 -10.802 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.990 -7.210 -12.081 1.00 25.17 O ATOM 0 H ASP A 32 -4.384 -5.031 -8.144 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.795 -6.894 -9.761 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.513 -5.729 -10.068 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.889 -7.027 -9.070 1.00 18.01 H new ATOM 519 N LYS A 33 -4.696 -8.030 -6.823 1.00 14.22 N ATOM 520 CA LYS A 33 -4.965 -9.086 -5.878 1.00 14.00 C ATOM 521 C LYS A 33 -6.324 -9.176 -5.200 1.00 12.37 C ATOM 522 O LYS A 33 -6.931 -10.229 -5.127 1.00 12.17 O ATOM 523 CB LYS A 33 -3.811 -9.397 -4.900 1.00 18.62 C ATOM 524 CG LYS A 33 -2.494 -9.729 -5.571 1.00 24.00 C ATOM 525 CD LYS A 33 -1.438 -10.387 -4.601 1.00 27.61 C ATOM 526 CE LYS A 33 -0.146 -10.867 -5.369 1.00 27.64 C ATOM 527 NZ LYS A 33 0.618 -11.823 -4.613 1.00 30.06 N ATOM 0 H LYS A 33 -4.088 -7.299 -6.453 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.034 -9.895 -6.605 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.665 -8.538 -4.245 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.103 -10.235 -4.267 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.681 -10.407 -6.404 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.070 -8.817 -5.991 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.156 -9.668 -3.831 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.894 -11.237 -4.092 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.436 -11.310 -6.322 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.480 -10.004 -5.596 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.378 -12.209 -5.209 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 1.033 -11.356 -3.781 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.004 -12.596 -4.302 1.00 30.06 H new ATOM 541 N GLU A 34 -6.890 -8.060 -4.706 1.00 10.11 N ATOM 542 CA GLU A 34 -8.099 -8.051 -3.812 1.00 10.07 C ATOM 543 C GLU A 34 -9.373 -7.484 -4.362 1.00 9.32 C ATOM 544 O GLU A 34 -10.458 -7.624 -3.803 1.00 11.61 O ATOM 545 CB GLU A 34 -7.763 -7.468 -2.386 1.00 14.77 C ATOM 546 CG GLU A 34 -6.637 -8.280 -1.676 1.00 18.75 C ATOM 547 CD GLU A 34 -7.053 -9.654 -1.169 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.081 -9.732 -0.426 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.412 -10.630 -1.482 1.00 25.19 O ATOM 0 H GLU A 34 -6.532 -7.126 -4.907 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.338 -9.111 -3.730 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.454 -6.427 -2.483 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.662 -7.478 -1.769 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.806 -8.402 -2.370 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.265 -7.696 -0.834 1.00 18.75 H new ATOM 556 N GLY A 35 -9.296 -6.943 -5.566 1.00 7.22 N ATOM 557 CA GLY A 35 -10.440 -6.341 -6.271 1.00 6.29 C ATOM 558 C GLY A 35 -11.004 -5.044 -5.693 1.00 6.93 C ATOM 559 O GLY A 35 -12.174 -4.765 -5.759 1.00 7.41 O ATOM 0 H GLY A 35 -8.427 -6.904 -6.099 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.141 -6.151 -7.302 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.244 -7.076 -6.302 1.00 6.29 H new ATOM 563 N ILE A 36 -10.126 -4.267 -4.996 1.00 5.86 N ATOM 564 CA ILE A 36 -10.432 -2.987 -4.361 1.00 6.07 C ATOM 565 C ILE A 36 -9.794 -1.858 -5.113 1.00 6.36 C ATOM 566 O ILE A 36 -8.568 -1.761 -5.149 1.00 6.18 O ATOM 567 CB ILE A 36 -9.808 -2.963 -2.932 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.072 -4.247 -2.137 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.995 -1.606 -2.239 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.344 -4.223 -0.807 1.00 9.49 C ATOM 0 H ILE A 36 -9.152 -4.542 -4.866 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.516 -2.874 -4.340 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.722 -3.012 -3.016 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.143 -4.360 -1.967 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.748 -5.111 -2.717 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.544 -1.639 -1.247 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.515 -0.826 -2.830 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.059 -1.388 -2.147 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.549 -5.145 -0.264 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.272 -4.134 -0.981 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.688 -3.372 -0.219 1.00 9.49 H new ATOM 582 N PRO A 37 -10.506 -1.007 -5.776 1.00 8.65 N ATOM 583 CA PRO A 37 -10.026 0.204 -6.434 1.00 9.18 C ATOM 584 C PRO A 37 -9.010 1.071 -5.659 1.00 9.85 C ATOM 585 O PRO A 37 -9.194 1.319 -4.468 1.00 8.51 O ATOM 586 CB PRO A 37 -11.283 0.974 -6.880 1.00 11.42 C ATOM 587 CG PRO A 37 -12.276 -0.098 -7.193 1.00 9.27 C ATOM 588 CD PRO A 37 -11.973 -1.156 -6.073 1.00 8.33 C ATOM 0 HA PRO A 37 -9.405 -0.091 -7.280 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.645 1.635 -6.093 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.081 1.597 -7.752 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.302 0.268 -7.143 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.133 -0.509 -8.192 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.576 -0.971 -5.184 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.206 -2.166 -6.412 1.00 8.33 H new ATOM 596 N PRO A 38 -8.030 1.703 -6.328 1.00 8.71 N ATOM 597 CA PRO A 38 -6.988 2.543 -5.731 1.00 9.08 C ATOM 598 C PRO A 38 -7.481 3.609 -4.759 1.00 9.28 C ATOM 599 O PRO A 38 -6.814 3.847 -3.769 1.00 6.50 O ATOM 600 CB PRO A 38 -6.246 3.161 -6.860 1.00 10.31 C ATOM 601 CG PRO A 38 -6.391 2.202 -8.008 1.00 10.81 C ATOM 602 CD PRO A 38 -7.654 1.423 -7.731 1.00 12.00 C ATOM 0 HA PRO A 38 -6.359 1.906 -5.109 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.657 4.139 -7.111 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.197 3.312 -6.605 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.459 2.734 -8.957 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.529 1.539 -8.076 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.450 1.723 -8.412 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.491 0.356 -7.882 1.00 12.00 H new ATOM 610 N ASP A 39 -8.593 4.303 -5.080 1.00 11.20 N ATOM 611 CA ASP A 39 -9.301 5.405 -4.330 1.00 14.96 C ATOM 612 C ASP A 39 -9.985 4.921 -3.002 1.00 13.99 C ATOM 613 O ASP A 39 -10.600 5.697 -2.173 1.00 13.75 O ATOM 614 CB ASP A 39 -10.334 6.184 -5.150 1.00 24.16 C ATOM 615 CG ASP A 39 -9.643 6.929 -6.282 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.878 7.894 -6.033 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.904 6.601 -7.460 1.00 35.55 O ATOM 0 H ASP A 39 -9.079 4.099 -5.953 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.481 6.083 -4.091 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.080 5.500 -5.555 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.863 6.889 -4.509 1.00 24.16 H new ATOM 622 N GLN A 40 -9.950 3.608 -2.845 1.00 11.60 N ATOM 623 CA GLN A 40 -10.550 2.992 -1.669 1.00 10.76 C ATOM 624 C GLN A 40 -9.500 2.428 -0.781 1.00 8.01 C ATOM 625 O GLN A 40 -9.770 1.796 0.207 1.00 8.96 O ATOM 626 CB GLN A 40 -11.591 1.892 -2.006 1.00 11.14 C ATOM 627 CG GLN A 40 -12.694 2.367 -3.038 1.00 14.85 C ATOM 628 CD GLN A 40 -13.750 1.345 -3.480 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.051 0.364 -2.856 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.333 1.630 -4.672 1.00 18.16 N ATOM 0 H GLN A 40 -9.521 2.957 -3.503 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.087 3.791 -1.157 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.073 1.024 -2.413 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.079 1.570 -1.086 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.215 3.219 -2.602 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.184 2.728 -3.931 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.062 2.469 -5.185 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.042 1.005 -5.055 1.00 18.16 H new ATOM 639 N GLN A 41 -8.213 2.661 -1.058 1.00 6.52 N ATOM 640 CA GLN A 41 -7.085 2.362 -0.174 1.00 3.87 C ATOM 641 C GLN A 41 -6.330 3.480 0.490 1.00 4.79 C ATOM 642 O GLN A 41 -5.657 4.214 -0.200 1.00 6.34 O ATOM 643 CB GLN A 41 -6.115 1.548 -1.086 1.00 4.20 C ATOM 644 CG GLN A 41 -6.713 0.263 -1.842 1.00 3.20 C ATOM 645 CD GLN A 41 -5.655 -0.251 -2.794 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.504 -0.368 -2.416 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.108 -0.534 -4.052 1.00 7.13 N ATOM 0 H GLN A 41 -7.918 3.080 -1.940 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.499 1.862 0.702 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.714 2.225 -1.840 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.275 1.218 -0.474 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.987 -0.509 -1.123 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.619 0.528 -2.386 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.094 -0.405 -4.280 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.460 -0.874 -4.763 1.00 7.13 H new ATOM 656 N ARG A 42 -6.317 3.586 1.819 1.00 5.73 N ATOM 657 CA ARG A 42 -5.232 4.340 2.533 1.00 6.97 C ATOM 658 C ARG A 42 -4.246 3.276 2.857 1.00 7.15 C ATOM 659 O ARG A 42 -4.573 2.234 3.407 1.00 7.33 O ATOM 660 CB ARG A 42 -5.661 4.975 3.847 1.00 13.23 C ATOM 661 CG ARG A 42 -6.747 6.039 3.854 1.00 21.27 C ATOM 662 CD ARG A 42 -6.990 6.661 5.231 1.00 26.14 C ATOM 663 NE ARG A 42 -8.224 7.486 5.032 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.308 8.802 4.751 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.210 9.515 4.510 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.459 9.392 4.674 1.00 36.39 N ATOM 0 H ARG A 42 -7.021 3.176 2.432 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.881 5.163 1.910 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.990 4.170 4.505 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.773 5.414 4.301 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.476 6.827 3.152 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.677 5.599 3.495 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.137 5.898 5.995 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.146 7.273 5.549 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.111 6.991 5.120 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.294 9.066 4.537 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.284 10.510 4.298 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.316 8.860 4.827 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.508 10.388 4.461 1.00 36.39 H new ATOM 680 N LEU A 43 -2.969 3.576 2.568 1.00 4.65 N ATOM 681 CA LEU A 43 -1.920 2.670 2.889 1.00 3.51 C ATOM 682 C LEU A 43 -1.201 3.298 4.079 1.00 5.56 C ATOM 683 O LEU A 43 -0.957 4.481 4.027 1.00 4.19 O ATOM 684 CB LEU A 43 -1.091 2.423 1.673 1.00 3.74 C ATOM 685 CG LEU A 43 -1.830 1.890 0.434 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.809 1.649 -0.663 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.655 0.637 0.699 1.00 6.41 C ATOM 0 H LEU A 43 -2.667 4.439 2.116 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.247 1.673 3.183 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.598 3.356 1.401 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.306 1.713 1.934 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.556 2.644 0.129 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.313 1.270 -1.552 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.305 2.585 -0.903 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.075 0.918 -0.323 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.146 0.323 -0.222 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.002 -0.161 1.053 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.409 0.851 1.457 1.00 6.41 H new ATOM 699 N ILE A 44 -1.021 2.533 5.191 1.00 4.58 N ATOM 700 CA ILE A 44 -0.464 3.004 6.449 1.00 5.55 C ATOM 701 C ILE A 44 0.726 2.259 6.842 1.00 5.46 C ATOM 702 O ILE A 44 0.697 1.040 6.994 1.00 6.04 O ATOM 703 CB ILE A 44 -1.555 2.758 7.537 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.888 3.410 7.060 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.015 3.287 8.920 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.849 4.936 6.948 1.00 13.90 C ATOM 0 H ILE A 44 -1.273 1.545 5.217 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.183 4.052 6.342 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.772 1.700 7.683 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.152 2.995 6.088 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.682 3.130 7.753 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.767 3.122 9.691 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.102 2.752 9.183 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.802 4.353 8.844 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.819 5.301 6.610 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.619 5.367 7.923 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.081 5.229 6.232 1.00 13.90 H new ATOM 718 N PHE A 45 1.858 3.016 6.948 1.00 6.75 N ATOM 719 CA PHE A 45 3.106 2.391 7.332 1.00 4.70 C ATOM 720 C PHE A 45 3.764 3.258 8.257 1.00 6.34 C ATOM 721 O PHE A 45 3.836 4.429 7.980 1.00 5.45 O ATOM 722 CB PHE A 45 3.971 1.889 6.213 1.00 5.51 C ATOM 723 CG PHE A 45 5.361 1.402 6.547 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.412 0.202 7.239 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.545 2.192 6.353 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.687 -0.322 7.686 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.743 1.690 6.809 1.00 6.64 C ATOM 728 CZ PHE A 45 7.827 0.440 7.430 1.00 6.84 C ATOM 0 H PHE A 45 1.908 4.020 6.775 1.00 6.75 H new ATOM 0 HA PHE A 45 2.871 1.445 7.820 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.441 1.072 5.724 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.066 2.691 5.481 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.502 -0.342 7.445 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.497 3.153 5.863 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.752 -1.270 8.200 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.641 2.277 6.684 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.795 0.056 7.717 1.00 6.84 H new ATOM 738 N ALA A 46 4.167 2.739 9.409 1.00 6.53 N ATOM 739 CA ALA A 46 4.845 3.389 10.534 1.00 7.15 C ATOM 740 C ALA A 46 4.311 4.723 10.963 1.00 9.00 C ATOM 741 O ALA A 46 4.935 5.758 10.856 1.00 11.15 O ATOM 742 CB ALA A 46 6.372 3.222 10.405 1.00 8.99 C ATOM 0 H ALA A 46 4.013 1.750 9.603 1.00 6.53 H new ATOM 0 HA ALA A 46 4.570 2.848 11.439 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.864 3.709 11.247 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.623 2.161 10.403 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.710 3.677 9.474 1.00 8.99 H new ATOM 748 N GLY A 47 3.050 4.720 11.371 1.00 9.35 N ATOM 749 CA GLY A 47 2.437 5.983 11.770 1.00 11.68 C ATOM 750 C GLY A 47 1.991 6.943 10.667 1.00 11.14 C ATOM 751 O GLY A 47 1.437 8.017 10.904 1.00 13.93 O ATOM 0 H GLY A 47 2.451 3.897 11.434 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.567 5.753 12.384 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.146 6.512 12.407 1.00 11.68 H new ATOM 755 N LYS A 48 2.241 6.591 9.394 1.00 10.47 N ATOM 756 CA LYS A 48 2.229 7.550 8.290 1.00 8.82 C ATOM 757 C LYS A 48 1.326 7.105 7.208 1.00 7.68 C ATOM 758 O LYS A 48 1.251 5.954 6.879 1.00 6.47 O ATOM 759 CB LYS A 48 3.763 7.704 7.767 1.00 9.74 C ATOM 760 CG LYS A 48 4.056 9.014 6.971 1.00 14.14 C ATOM 761 CD LYS A 48 5.570 9.214 6.592 1.00 16.32 C ATOM 762 CE LYS A 48 6.011 10.644 6.231 1.00 20.04 C ATOM 763 NZ LYS A 48 7.485 10.628 6.059 1.00 23.92 N ATOM 0 H LYS A 48 2.456 5.636 9.108 1.00 10.47 H new ATOM 0 HA LYS A 48 1.849 8.515 8.624 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.431 7.661 8.627 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.003 6.850 7.134 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.462 9.011 6.057 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.726 9.867 7.563 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.178 8.872 7.429 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.797 8.565 5.747 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.522 10.976 5.315 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.725 11.343 7.017 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.816 11.583 5.814 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.935 10.323 6.946 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.738 9.967 5.297 1.00 23.92 H new ATOM 777 N GLN A 49 0.481 8.014 6.576 1.00 8.89 N ATOM 778 CA GLN A 49 -0.199 7.744 5.336 1.00 7.18 C ATOM 779 C GLN A 49 0.800 7.739 4.172 1.00 8.23 C ATOM 780 O GLN A 49 1.718 8.539 4.140 1.00 9.70 O ATOM 781 CB GLN A 49 -1.435 8.749 5.042 1.00 11.67 C ATOM 782 CG GLN A 49 -2.421 8.731 6.243 1.00 15.82 C ATOM 783 CD GLN A 49 -3.771 9.358 5.898 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.494 8.914 5.007 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.132 10.543 6.540 1.00 20.67 N ATOM 0 H GLN A 49 0.285 8.941 6.952 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.643 6.753 5.433 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.063 9.761 4.879 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.952 8.449 4.130 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.574 7.702 6.569 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.978 9.268 7.082 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.542 10.922 7.280 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.986 11.030 6.269 1.00 20.67 H new ATOM 794 N LEU A 50 0.559 6.882 3.116 1.00 6.51 N ATOM 795 CA LEU A 50 1.503 6.897 1.931 1.00 7.41 C ATOM 796 C LEU A 50 0.884 7.615 0.746 1.00 8.27 C ATOM 797 O LEU A 50 -0.295 7.412 0.478 1.00 8.34 O ATOM 798 CB LEU A 50 1.827 5.467 1.565 1.00 7.13 C ATOM 799 CG LEU A 50 2.281 4.551 2.716 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.569 3.145 2.072 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.617 5.031 3.291 1.00 9.11 C ATOM 0 H LEU A 50 -0.216 6.221 3.057 1.00 6.51 H new ATOM 0 HA LEU A 50 2.412 7.435 2.199 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.944 5.024 1.104 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.611 5.478 0.808 1.00 7.13 H new ATOM 0 HG LEU A 50 1.521 4.536 3.497 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.896 2.451 2.846 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.660 2.766 1.605 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.350 3.243 1.318 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.922 4.371 4.103 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.376 5.017 2.509 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.506 6.047 3.671 1.00 9.11 H new ATOM 813 N GLU A 51 1.629 8.488 -0.006 1.00 9.43 N ATOM 814 CA GLU A 51 1.080 9.351 -1.027 1.00 11.90 C ATOM 815 C GLU A 51 1.464 8.850 -2.382 1.00 11.49 C ATOM 816 O GLU A 51 2.537 8.247 -2.565 1.00 9.88 O ATOM 817 CB GLU A 51 1.657 10.772 -0.828 1.00 16.56 C ATOM 818 CG GLU A 51 1.100 11.507 0.407 1.00 26.06 C ATOM 819 CD GLU A 51 1.654 12.896 0.512 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.879 13.161 0.331 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.861 13.768 0.913 1.00 32.13 O ATOM 0 H GLU A 51 2.638 8.589 0.106 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.007 9.366 -0.950 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.741 10.704 -0.739 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.447 11.366 -1.717 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.013 11.551 0.347 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.347 10.946 1.308 1.00 26.06 H new ATOM 828 N ASP A 52 0.546 9.073 -3.382 1.00 12.71 N ATOM 829 CA ASP A 52 0.514 8.384 -4.648 1.00 16.56 C ATOM 830 C ASP A 52 1.784 8.505 -5.521 1.00 15.83 C ATOM 831 O ASP A 52 2.284 7.483 -6.072 1.00 17.21 O ATOM 832 CB ASP A 52 -0.732 8.753 -5.441 1.00 21.05 C ATOM 833 CG ASP A 52 -1.979 8.540 -4.527 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.430 7.414 -4.280 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.510 9.577 -4.063 1.00 25.82 O ATOM 0 H ASP A 52 -0.198 9.764 -3.291 1.00 12.71 H new ATOM 0 HA ASP A 52 0.481 7.330 -4.374 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.677 9.790 -5.772 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.808 8.136 -6.336 1.00 21.05 H new ATOM 840 N GLY A 53 2.465 9.643 -5.678 1.00 15.00 N ATOM 841 CA GLY A 53 3.624 9.823 -6.590 1.00 11.77 C ATOM 842 C GLY A 53 4.963 9.547 -6.055 1.00 11.10 C ATOM 843 O GLY A 53 5.955 9.672 -6.773 1.00 11.25 O ATOM 0 H GLY A 53 2.229 10.493 -5.166 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.471 9.181 -7.458 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.612 10.852 -6.949 1.00 11.77 H new ATOM 847 N ARG A 54 4.963 9.223 -4.771 1.00 8.53 N ATOM 848 CA ARG A 54 6.162 8.921 -4.036 1.00 9.05 C ATOM 849 C ARG A 54 6.450 7.451 -4.159 1.00 8.96 C ATOM 850 O ARG A 54 5.483 6.704 -4.359 1.00 11.60 O ATOM 851 CB ARG A 54 6.031 9.350 -2.544 1.00 7.97 C ATOM 852 CG ARG A 54 5.753 10.884 -2.393 1.00 9.62 C ATOM 853 CD ARG A 54 6.917 11.732 -2.695 1.00 12.20 C ATOM 854 NE ARG A 54 6.399 13.123 -2.555 1.00 18.23 N ATOM 855 CZ ARG A 54 7.172 14.225 -2.532 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.529 14.163 -2.730 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.659 15.435 -2.254 1.00 23.38 N ATOM 0 H ARG A 54 4.113 9.164 -4.210 1.00 8.53 H new ATOM 0 HA ARG A 54 6.995 9.486 -4.454 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.223 8.788 -2.075 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.947 9.094 -2.012 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.932 11.162 -3.054 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.424 11.085 -1.374 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.739 11.541 -2.005 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.295 11.547 -3.700 1.00 12.20 H new ATOM 0 HE ARG A 54 5.390 13.248 -2.471 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.979 13.264 -2.901 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.087 15.016 -2.707 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.664 15.533 -2.054 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.265 16.255 -2.242 1.00 23.38 H new ATOM 871 N THR A 55 7.742 7.003 -4.004 1.00 9.05 N ATOM 872 CA THR A 55 8.299 5.654 -4.041 1.00 9.03 C ATOM 873 C THR A 55 8.537 4.993 -2.715 1.00 8.15 C ATOM 874 O THR A 55 8.623 5.656 -1.701 1.00 5.91 O ATOM 875 CB THR A 55 9.500 5.448 -4.904 1.00 11.15 C ATOM 876 OG1 THR A 55 10.627 6.111 -4.280 1.00 11.95 O ATOM 877 CG2 THR A 55 9.364 6.154 -6.310 1.00 11.71 C ATOM 0 H THR A 55 8.484 7.681 -3.831 1.00 9.05 H new ATOM 0 HA THR A 55 7.457 5.154 -4.520 1.00 9.03 H new ATOM 0 HB THR A 55 9.616 4.371 -5.026 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.307 6.870 -3.749 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.264 5.972 -6.897 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.499 5.751 -6.837 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.234 7.227 -6.167 1.00 11.71 H new ATOM 885 N LEU A 56 8.719 3.635 -2.726 1.00 6.91 N ATOM 886 CA LEU A 56 9.042 2.793 -1.569 1.00 8.29 C ATOM 887 C LEU A 56 10.283 3.336 -0.923 1.00 8.05 C ATOM 888 O LEU A 56 10.350 3.394 0.300 1.00 10.17 O ATOM 889 CB LEU A 56 9.245 1.357 -1.986 1.00 6.60 C ATOM 890 CG LEU A 56 7.850 0.574 -1.975 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.887 0.965 -3.055 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.975 -0.988 -2.161 1.00 8.64 C ATOM 0 H LEU A 56 8.637 3.093 -3.586 1.00 6.91 H new ATOM 0 HA LEU A 56 8.214 2.811 -0.860 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.683 1.319 -2.983 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.948 0.871 -1.310 1.00 6.60 H new ATOM 0 HG LEU A 56 7.489 0.854 -0.986 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.974 0.377 -2.959 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.647 2.024 -2.963 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.338 0.779 -4.030 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.982 -1.437 -2.141 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.452 -1.204 -3.117 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.578 -1.404 -1.353 1.00 8.64 H new ATOM 904 N SER A 57 11.322 3.792 -1.676 1.00 8.92 N ATOM 905 CA SER A 57 12.645 4.271 -1.123 1.00 9.00 C ATOM 906 C SER A 57 12.468 5.690 -0.462 1.00 9.44 C ATOM 907 O SER A 57 13.146 5.944 0.522 1.00 10.91 O ATOM 908 CB SER A 57 13.779 4.376 -2.166 1.00 10.32 C ATOM 909 OG SER A 57 14.098 3.075 -2.738 1.00 13.59 O ATOM 0 H SER A 57 11.276 3.843 -2.694 1.00 8.92 H new ATOM 0 HA SER A 57 12.940 3.512 -0.399 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.483 5.061 -2.960 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.669 4.797 -1.697 1.00 10.32 H new ATOM 0 HG SER A 57 14.818 3.174 -3.396 1.00 13.59 H new ATOM 915 N ASP A 58 11.421 6.479 -0.802 1.00 9.11 N ATOM 916 CA ASP A 58 11.101 7.808 -0.157 1.00 7.91 C ATOM 917 C ASP A 58 10.606 7.598 1.297 1.00 9.12 C ATOM 918 O ASP A 58 10.824 8.437 2.207 1.00 8.61 O ATOM 919 CB ASP A 58 10.008 8.565 -0.905 1.00 8.41 C ATOM 920 CG ASP A 58 10.625 9.015 -2.205 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.495 9.916 -2.249 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.111 8.494 -3.230 1.00 11.70 O ATOM 0 H ASP A 58 10.760 6.223 -1.536 1.00 9.11 H new ATOM 0 HA ASP A 58 12.023 8.388 -0.180 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.144 7.925 -1.085 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.658 9.418 -0.324 1.00 8.41 H new ATOM 927 N TYR A 59 9.914 6.429 1.503 1.00 7.97 N ATOM 928 CA TYR A 59 9.388 6.092 2.849 1.00 8.45 C ATOM 929 C TYR A 59 10.279 5.120 3.589 1.00 10.98 C ATOM 930 O TYR A 59 9.902 4.654 4.671 1.00 12.95 O ATOM 931 CB TYR A 59 8.011 5.488 2.764 1.00 7.94 C ATOM 932 CG TYR A 59 6.970 6.417 2.219 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.461 7.483 3.130 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.495 6.375 0.894 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.669 8.493 2.572 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.570 7.374 0.409 1.00 6.52 C ATOM 937 CZ TYR A 59 5.200 8.397 1.283 1.00 6.76 C ATOM 938 OH TYR A 59 4.313 9.322 0.780 1.00 7.63 O ATOM 0 H TYR A 59 9.719 5.737 0.779 1.00 7.97 H new ATOM 0 HA TYR A 59 9.354 7.034 3.396 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.054 4.598 2.136 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.707 5.161 3.758 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.696 7.476 4.184 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.826 5.588 0.233 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.422 9.362 3.164 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.178 7.330 -0.596 1.00 6.52 H new ATOM 0 HH TYR A 59 4.800 10.129 0.511 1.00 7.63 H new ATOM 948 N ASN A 60 11.458 4.741 3.010 1.00 12.38 N ATOM 949 CA ASN A 60 12.269 3.702 3.600 1.00 13.94 C ATOM 950 C ASN A 60 11.581 2.356 3.745 1.00 14.16 C ATOM 951 O ASN A 60 11.740 1.717 4.770 1.00 14.26 O ATOM 952 CB ASN A 60 12.990 4.171 4.924 1.00 19.23 C ATOM 953 CG ASN A 60 13.739 5.489 4.604 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.209 6.573 4.823 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.023 5.335 4.211 1.00 24.09 N ATOM 0 H ASN A 60 11.837 5.147 2.154 1.00 12.38 H new ATOM 0 HA ASN A 60 13.051 3.519 2.863 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.264 4.327 5.722 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.687 3.409 5.272 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.617 6.153 4.079 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.398 4.401 4.047 1.00 24.09 H new ATOM 962 N ILE A 61 10.780 1.967 2.786 1.00 11.08 N ATOM 963 CA ILE A 61 10.164 0.625 2.664 1.00 11.78 C ATOM 964 C ILE A 61 11.103 -0.322 1.987 1.00 13.74 C ATOM 965 O ILE A 61 11.658 -0.130 0.929 1.00 14.60 O ATOM 966 CB ILE A 61 8.813 0.713 2.037 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.859 1.594 2.883 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.171 -0.697 1.860 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.601 2.058 2.139 1.00 11.42 C ATOM 0 H ILE A 61 10.513 2.589 2.023 1.00 11.08 H new ATOM 0 HA ILE A 61 9.991 0.209 3.656 1.00 11.78 H new ATOM 0 HB ILE A 61 8.953 1.167 1.056 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.557 1.035 3.769 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.406 2.471 3.230 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.188 -0.594 1.401 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.808 -1.309 1.221 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.068 -1.175 2.834 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.990 2.668 2.804 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.890 2.647 1.268 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.028 1.189 1.815 1.00 11.42 H new ATOM 981 N GLN A 62 11.378 -1.467 2.648 1.00 13.97 N ATOM 982 CA GLN A 62 12.411 -2.369 2.371 1.00 15.52 C ATOM 983 C GLN A 62 11.752 -3.813 2.252 1.00 13.94 C ATOM 984 O GLN A 62 10.548 -3.919 2.372 1.00 12.15 O ATOM 985 CB GLN A 62 13.468 -2.362 3.550 1.00 19.53 C ATOM 986 CG GLN A 62 14.106 -0.965 3.772 1.00 26.38 C ATOM 987 CD GLN A 62 15.300 -1.134 4.723 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.322 -0.952 5.936 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.407 -1.625 4.084 1.00 32.71 N ATOM 0 H GLN A 62 10.814 -1.767 3.443 1.00 13.97 H new ATOM 0 HA GLN A 62 12.926 -2.095 1.450 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.982 -2.686 4.470 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.254 -3.086 3.333 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.432 -0.540 2.823 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.376 -0.276 4.196 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.389 -1.776 3.075 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.250 -1.840 4.617 1.00 32.71 H new ATOM 998 N LYS A 63 12.506 -4.885 1.897 1.00 11.73 N ATOM 999 CA LYS A 63 12.079 -6.208 1.660 1.00 11.97 C ATOM 1000 C LYS A 63 11.474 -6.952 2.880 1.00 10.41 C ATOM 1001 O LYS A 63 12.052 -6.844 4.005 1.00 9.59 O ATOM 1002 CB LYS A 63 13.214 -7.012 0.956 1.00 13.73 C ATOM 1003 CG LYS A 63 14.329 -7.476 1.853 1.00 16.98 C ATOM 1004 CD LYS A 63 15.187 -8.517 1.136 1.00 20.19 C ATOM 1005 CE LYS A 63 16.164 -9.205 2.166 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.849 -10.226 1.323 1.00 25.97 N ATOM 0 H LYS A 63 13.514 -4.792 1.769 1.00 11.73 H new ATOM 0 HA LYS A 63 11.223 -6.132 0.989 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.773 -7.884 0.473 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.640 -6.392 0.167 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.946 -6.627 2.147 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.916 -7.902 2.767 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.550 -9.267 0.668 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.759 -8.043 0.339 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.869 -8.493 2.595 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.624 -9.660 2.997 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.531 -10.754 1.903 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.144 -10.884 0.933 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.350 -9.753 0.544 1.00 25.97 H new ATOM 1020 N GLU A 64 10.296 -7.618 2.814 1.00 10.04 N ATOM 1021 CA GLU A 64 9.668 -8.283 3.947 1.00 10.94 C ATOM 1022 C GLU A 64 9.251 -7.368 5.045 1.00 9.74 C ATOM 1023 O GLU A 64 9.090 -7.810 6.174 1.00 9.42 O ATOM 1024 CB GLU A 64 10.471 -9.568 4.444 1.00 18.31 C ATOM 1025 CG GLU A 64 10.595 -10.640 3.361 1.00 24.16 C ATOM 1026 CD GLU A 64 11.302 -11.901 3.924 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.818 -11.793 5.060 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.280 -12.963 3.240 1.00 32.61 O ATOM 0 H GLU A 64 9.759 -7.701 1.951 1.00 10.04 H new ATOM 0 HA GLU A 64 8.725 -8.665 3.557 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.467 -9.266 4.767 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.969 -9.992 5.314 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.606 -10.906 2.989 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.159 -10.247 2.515 1.00 24.16 H new ATOM 1035 N SER A 65 9.034 -6.132 4.624 1.00 6.85 N ATOM 1036 CA SER A 65 8.273 -5.093 5.376 1.00 6.90 C ATOM 1037 C SER A 65 6.841 -5.529 5.389 1.00 4.72 C ATOM 1038 O SER A 65 6.291 -6.111 4.448 1.00 3.91 O ATOM 1039 CB SER A 65 8.380 -3.644 4.781 1.00 7.28 C ATOM 1040 OG SER A 65 9.668 -3.087 5.042 1.00 10.56 O ATOM 0 H SER A 65 9.384 -5.794 3.727 1.00 6.85 H new ATOM 0 HA SER A 65 8.705 -5.019 6.374 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.201 -3.672 3.706 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.608 -3.009 5.216 1.00 7.28 H new ATOM 0 HG SER A 65 9.594 -2.113 5.119 1.00 10.56 H new ATOM 1046 N THR A 66 6.124 -5.120 6.465 1.00 4.48 N ATOM 1047 CA THR A 66 4.699 -5.286 6.577 1.00 3.80 C ATOM 1048 C THR A 66 4.034 -3.908 6.550 1.00 4.60 C ATOM 1049 O THR A 66 4.288 -3.108 7.381 1.00 5.33 O ATOM 1050 CB THR A 66 4.206 -6.040 7.804 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.707 -7.340 7.853 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.681 -6.144 7.848 1.00 3.40 C ATOM 0 H THR A 66 6.546 -4.664 7.274 1.00 4.48 H new ATOM 0 HA THR A 66 4.422 -5.909 5.727 1.00 3.80 H new ATOM 0 HB THR A 66 4.566 -5.461 8.655 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.369 -7.791 8.655 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.379 -6.690 8.742 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.249 -5.144 7.871 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.327 -6.672 6.963 1.00 3.40 H new ATOM 1060 N LEU A 67 3.177 -3.700 5.514 1.00 4.17 N ATOM 1061 CA LEU A 67 2.368 -2.537 5.361 1.00 3.85 C ATOM 1062 C LEU A 67 1.007 -2.847 5.929 1.00 3.80 C ATOM 1063 O LEU A 67 0.601 -3.976 6.127 1.00 5.54 O ATOM 1064 CB LEU A 67 2.241 -2.004 3.948 1.00 7.18 C ATOM 1065 CG LEU A 67 3.528 -1.914 3.154 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.038 -1.133 1.883 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.683 -1.200 3.877 1.00 11.66 C ATOM 0 H LEU A 67 3.053 -4.376 4.761 1.00 4.17 H new ATOM 0 HA LEU A 67 2.871 -1.733 5.899 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.544 -2.640 3.402 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.796 -1.010 3.994 1.00 7.18 H new ATOM 0 HG LEU A 67 3.972 -2.889 2.954 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.875 -0.988 1.200 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.257 -1.705 1.383 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.642 -0.163 2.182 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.562 -1.184 3.232 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.388 -0.178 4.113 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.919 -1.732 4.799 1.00 11.66 H new ATOM 1079 N HIS A 68 0.167 -1.792 6.158 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.228 -1.902 6.585 1.00 4.17 C ATOM 1081 C HIS A 68 -2.142 -1.193 5.627 1.00 5.32 C ATOM 1082 O HIS A 68 -1.767 -0.229 5.008 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.379 -1.352 7.975 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.141 -2.435 8.999 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.042 -3.140 9.143 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.900 -2.806 10.045 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.034 -3.901 10.249 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.204 -3.682 10.846 1.00 16.30 N ATOM 0 H HIS A 68 0.468 -0.824 6.042 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.510 -2.955 6.590 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.673 -0.536 8.129 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.379 -0.936 8.102 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.908 -2.466 10.230 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.730 -4.580 10.597 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.523 -4.086 11.727 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.449 -1.691 5.481 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.370 -1.176 4.460 1.00 3.97 C ATOM 1098 C LEU A 69 -5.609 -0.789 5.229 1.00 5.07 C ATOM 1099 O LEU A 69 -6.074 -1.428 6.127 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.629 -2.174 3.399 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.989 -2.161 2.560 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.005 -0.903 1.684 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.228 -3.285 1.577 1.00 9.96 C ATOM 0 H LEU A 69 -3.841 -2.431 6.063 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.961 -0.323 3.919 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.812 -2.094 2.681 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.551 -3.158 3.862 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.750 -2.238 3.337 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.927 -0.876 1.103 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.949 -0.018 2.318 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.150 -0.920 1.008 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.190 -3.140 1.085 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.435 -3.289 0.829 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.232 -4.237 2.107 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.123 0.477 4.951 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.285 0.970 5.611 1.00 6.26 C ATOM 1117 C VAL A 70 -8.238 1.357 4.590 1.00 9.22 C ATOM 1118 O VAL A 70 -7.891 2.196 3.745 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.088 2.204 6.517 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.414 2.799 6.950 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.183 1.895 7.684 1.00 8.54 C ATOM 0 H VAL A 70 -5.715 1.122 4.274 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.607 0.159 6.265 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.585 2.970 5.926 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.234 3.665 7.586 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.980 3.106 6.070 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.983 2.054 7.505 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.067 2.786 8.300 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.620 1.095 8.282 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.207 1.580 7.314 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.444 0.806 4.550 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.477 1.077 3.583 1.00 16.06 C ATOM 1133 C LEU A 71 -11.032 2.526 3.611 1.00 18.09 C ATOM 1134 O LEU A 71 -11.237 3.175 4.637 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.678 0.118 3.792 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.426 -1.321 3.400 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.633 -2.238 3.750 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.025 -1.529 1.937 1.00 19.57 C ATOM 0 H LEU A 71 -9.736 0.115 5.241 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.991 0.928 2.619 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.967 0.147 4.842 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.526 0.492 3.218 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.562 -1.608 3.999 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.410 -3.262 3.452 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.816 -2.204 4.824 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.520 -1.891 3.220 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.866 -2.591 1.751 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.819 -1.162 1.286 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.105 -0.983 1.731 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.248 3.017 2.364 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.605 4.377 2.103 1.00 25.83 C ATOM 1152 C ARG A 72 -12.920 4.538 1.274 1.00 27.74 C ATOM 1153 O ARG A 72 -13.295 3.687 0.463 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.420 5.170 1.537 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.468 6.711 1.726 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.162 7.379 1.198 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.344 8.847 1.339 1.00 35.08 N ATOM 1158 CZ ARG A 72 -8.454 9.751 0.988 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -7.214 9.457 0.632 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.714 11.047 1.172 1.00 35.02 N ATOM 0 H ARG A 72 -11.170 2.447 1.521 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.848 4.822 3.068 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.507 4.797 2.000 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.346 4.959 0.470 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.329 7.119 1.197 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.601 6.948 2.782 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.297 7.040 1.768 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.984 7.110 0.157 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.223 9.178 1.737 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.904 8.485 0.620 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.568 10.202 0.370 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.601 11.336 1.584 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.025 11.749 0.901 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.682 5.684 1.491 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.014 5.979 0.977 1.00 30.76 C ATOM 1176 C LEU A 73 -14.969 7.340 0.347 1.00 32.18 C ATOM 1177 O LEU A 73 -13.996 8.129 0.516 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.953 5.759 2.199 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.070 4.353 2.779 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.535 4.403 4.196 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.995 3.535 1.930 1.00 29.11 C ATOM 0 H LEU A 73 -13.326 6.446 2.068 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.395 5.348 0.174 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.619 6.421 2.998 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.953 6.084 1.912 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.087 3.881 2.776 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.611 3.390 4.590 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.822 4.972 4.793 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.512 4.885 4.242 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.078 2.531 2.346 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.980 4.002 1.911 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.601 3.477 0.915 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.093 7.677 -0.304 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.166 8.833 -1.108 1.00 35.33 C ATOM 1195 C ARG A 74 -16.209 10.165 -0.416 1.00 36.22 C ATOM 1196 O ARG A 74 -15.670 11.104 -0.968 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.375 8.914 -2.071 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.261 7.914 -3.217 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.067 8.218 -4.187 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.166 7.168 -5.279 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.771 7.391 -6.565 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.265 8.563 -6.998 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.803 6.316 -7.313 1.00 41.93 N ATOM 0 H ARG A 74 -16.956 7.135 -0.266 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.216 8.683 -1.621 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.294 8.726 -1.516 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.449 9.923 -2.476 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.140 6.912 -2.805 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.191 7.915 -3.785 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.141 9.224 -4.600 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.111 8.157 -3.667 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.546 6.252 -5.039 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.160 9.344 -6.350 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.987 8.669 -7.974 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.104 5.426 -6.915 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.527 6.369 -8.294 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.795 10.227 0.808 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.872 11.406 1.561 1.00 36.07 C ATOM 1219 C GLY A 75 -15.600 11.904 2.264 1.00 36.16 C ATOM 1220 O GLY A 75 -15.652 12.865 3.008 1.00 36.26 O ATOM 0 H GLY A 75 -17.220 9.420 1.265 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.220 12.200 0.901 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.639 11.265 2.322 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.502 11.140 2.153 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.357 11.320 3.012 1.00 36.19 C ATOM 1226 C GLY A 76 -12.086 10.860 2.278 1.00 36.20 C ATOM 1227 O GLY A 76 -11.902 9.638 1.970 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.227 11.717 2.039 1.00 0.00 O ATOM 0 H GLY A 76 -14.398 10.392 1.468 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.265 12.368 3.298 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.486 10.749 3.931 1.00 36.19 H new TER 1232 GLY A 76