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= 1.21 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.06 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.556 K(o=0.56,f=-5.5!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 177:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 1 USER MOD Single : A 1 MET CE :methyl -152:sc= -0.0334 (180deg=-0.804) USER MOD Single : A 1 MET N :NH3+ -153:sc= 2.33 (180deg=1.85) USER MOD Single : A 2 GLN : amide:sc= -1.04 K(o=-1,f=-2.9!) USER MOD Single : A 7 THR OG1 : rot 170:sc= 0.101 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 1.17 (180deg=1.08) 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 27 LYS NZ :NH3+ 170:sc= 1.17 (180deg=0.962) USER MOD Single : A 29 LYS NZ :NH3+ -133:sc= 1.17 (180deg=-0.0796) USER MOD Single : A 31 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.45) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0405 K(o=-0.04,f=-2.6!) USER MOD Single : A 41 GLN : amide:sc= 0.66 K(o=0.66,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00462 X(o=-0.0046,f=-0.35) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.696 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+ -120:sc= 1.16 (180deg=0.00605) USER MOD Single : A 65 SER OG : rot 73:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.059 -7.249 -5.261 1.00 9.67 N ATOM 2 CA MET A 1 11.101 -7.018 -3.799 1.00 10.38 C ATOM 3 C MET A 1 9.825 -7.463 -3.147 1.00 9.62 C ATOM 4 O MET A 1 8.696 -7.091 -3.617 1.00 9.62 O ATOM 5 CB MET A 1 11.389 -5.497 -3.482 1.00 13.77 C ATOM 6 CG MET A 1 11.561 -5.273 -1.984 1.00 16.29 C ATOM 7 SD MET A 1 11.998 -3.656 -1.410 1.00 17.17 S ATOM 8 CE MET A 1 10.242 -3.117 -1.138 1.00 16.11 C ATOM 0 H1 MET A 1 12.026 -7.380 -5.620 1.00 9.67 H new ATOM 0 H2 MET A 1 10.497 -8.101 -5.462 1.00 9.67 H new ATOM 0 H3 MET A 1 10.624 -6.429 -5.730 1.00 9.67 H new ATOM 0 HA MET A 1 11.915 -7.614 -3.387 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.289 -5.177 -4.007 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.568 -4.883 -3.853 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.627 -5.555 -1.498 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.325 -5.966 -1.632 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.171 -2.035 -1.253 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.595 -3.602 -1.869 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.927 -3.396 -0.133 1.00 16.11 H new ATOM 20 N GLN A 2 9.830 -8.203 -1.979 1.00 9.27 N ATOM 21 CA GLN A 2 8.641 -8.753 -1.323 1.00 9.07 C ATOM 22 C GLN A 2 8.127 -7.816 -0.230 1.00 8.72 C ATOM 23 O GLN A 2 8.804 -7.534 0.763 1.00 8.22 O ATOM 24 CB GLN A 2 9.053 -10.081 -0.625 1.00 14.46 C ATOM 25 CG GLN A 2 7.758 -10.792 -0.036 1.00 17.01 C ATOM 26 CD GLN A 2 8.242 -12.021 0.678 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.338 -12.004 1.217 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.383 -13.078 0.555 1.00 19.49 N ATOM 0 H GLN A 2 10.692 -8.422 -1.480 1.00 9.27 H new ATOM 0 HA GLN A 2 7.864 -8.894 -2.074 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.551 -10.740 -1.337 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.766 -9.879 0.175 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.227 -10.129 0.647 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.061 -11.054 -0.833 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.490 -12.957 0.077 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.635 -13.988 0.941 1.00 19.49 H new ATOM 37 N ILE A 3 6.900 -7.262 -0.347 1.00 5.87 N ATOM 38 CA ILE A 3 6.251 -6.604 0.816 1.00 5.07 C ATOM 39 C ILE A 3 4.976 -7.291 1.177 1.00 4.01 C ATOM 40 O ILE A 3 4.309 -7.981 0.316 1.00 4.61 O ATOM 41 CB ILE A 3 6.000 -5.170 0.651 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.065 -4.846 -0.547 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.364 -4.391 0.481 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.487 -3.448 -0.521 1.00 10.83 C ATOM 0 H ILE A 3 6.350 -7.254 -1.206 1.00 5.87 H new ATOM 0 HA ILE A 3 6.978 -6.697 1.623 1.00 5.07 H new ATOM 0 HB ILE A 3 5.488 -4.842 1.556 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.622 -4.980 -1.475 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.246 -5.566 -0.560 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.162 -3.327 0.359 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.983 -4.544 1.365 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.889 -4.764 -0.399 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.846 -3.303 -1.391 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.901 -3.314 0.388 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.297 -2.719 -0.541 1.00 10.83 H new ATOM 56 N PHE A 4 4.626 -7.130 2.446 1.00 4.55 N ATOM 57 CA PHE A 4 3.413 -7.667 3.023 1.00 4.68 C ATOM 58 C PHE A 4 2.466 -6.536 3.291 1.00 5.30 C ATOM 59 O PHE A 4 2.895 -5.523 3.762 1.00 5.58 O ATOM 60 CB PHE A 4 3.716 -8.467 4.385 1.00 4.83 C ATOM 61 CG PHE A 4 4.908 -9.457 4.194 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.799 -10.525 3.241 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.124 -9.379 4.968 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.808 -11.452 3.057 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.116 -10.333 4.830 1.00 10.61 C ATOM 66 CZ PHE A 4 6.955 -11.395 3.895 1.00 8.90 C ATOM 0 H PHE A 4 5.195 -6.609 3.114 1.00 4.55 H new ATOM 0 HA PHE A 4 2.969 -8.372 2.320 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.948 -7.761 5.183 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.827 -9.017 4.694 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.900 -10.607 2.649 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.261 -8.565 5.664 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.726 -12.207 2.289 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.012 -10.273 5.431 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.710 -12.163 3.822 1.00 8.90 H new ATOM 76 N VAL A 5 1.200 -6.710 3.024 1.00 4.44 N ATOM 77 CA VAL A 5 0.210 -5.751 3.444 1.00 3.87 C ATOM 78 C VAL A 5 -0.857 -6.488 4.269 1.00 4.93 C ATOM 79 O VAL A 5 -1.382 -7.526 3.864 1.00 6.84 O ATOM 80 CB VAL A 5 -0.449 -5.085 2.219 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.359 -3.956 2.658 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.593 -4.559 1.250 1.00 9.13 C ATOM 0 H VAL A 5 0.827 -7.511 2.515 1.00 4.44 H new ATOM 0 HA VAL A 5 0.684 -4.973 4.043 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.040 -5.844 1.707 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.817 -3.496 1.782 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.139 -4.350 3.310 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.777 -3.209 3.198 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.096 -4.096 0.398 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.217 -3.820 1.752 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.216 -5.383 0.903 1.00 9.13 H new ATOM 92 N LYS A 6 -1.222 -5.976 5.543 1.00 6.04 N ATOM 93 CA LYS A 6 -2.350 -6.408 6.276 1.00 6.12 C ATOM 94 C LYS A 6 -3.618 -5.591 6.015 1.00 6.57 C ATOM 95 O LYS A 6 -3.631 -4.364 6.270 1.00 5.76 O ATOM 96 CB LYS A 6 -2.041 -6.462 7.769 1.00 7.45 C ATOM 97 CG LYS A 6 -0.855 -7.365 8.266 1.00 11.12 C ATOM 98 CD LYS A 6 -1.240 -8.818 8.022 1.00 14.54 C ATOM 99 CE LYS A 6 -0.147 -9.782 8.519 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.634 -11.146 8.524 1.00 20.55 N ATOM 0 H LYS A 6 -0.685 -5.251 6.020 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.566 -7.413 5.914 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.841 -5.443 8.101 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.945 -6.793 8.281 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.062 -7.118 7.732 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.663 -7.194 9.325 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.179 -9.037 8.531 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.410 -8.977 6.957 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.731 -9.706 7.878 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.166 -9.498 9.524 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.132 -11.787 8.813 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.426 -11.229 9.193 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.958 -11.402 7.570 1.00 20.55 H new ATOM 114 N THR A 7 -4.679 -6.242 5.545 1.00 7.41 N ATOM 115 CA THR A 7 -5.932 -5.564 5.196 1.00 7.48 C ATOM 116 C THR A 7 -6.703 -5.096 6.427 1.00 8.75 C ATOM 117 O THR A 7 -6.188 -5.231 7.563 1.00 8.58 O ATOM 118 CB THR A 7 -6.824 -6.319 4.147 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.429 -7.510 4.754 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.921 -6.835 3.058 1.00 9.17 C ATOM 0 H THR A 7 -4.698 -7.251 5.394 1.00 7.41 H new ATOM 0 HA THR A 7 -5.622 -4.665 4.664 1.00 7.48 H new ATOM 0 HB THR A 7 -7.591 -5.635 3.783 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.104 -7.880 4.147 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.515 -7.365 2.314 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.408 -5.998 2.584 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.186 -7.516 3.487 1.00 9.17 H new ATOM 128 N LEU A 8 -7.866 -4.472 6.242 1.00 9.84 N ATOM 129 CA LEU A 8 -8.680 -4.001 7.360 1.00 14.15 C ATOM 130 C LEU A 8 -9.119 -5.117 8.240 1.00 17.37 C ATOM 131 O LEU A 8 -9.071 -5.121 9.458 1.00 17.01 O ATOM 132 CB LEU A 8 -9.948 -3.249 6.835 1.00 16.63 C ATOM 133 CG LEU A 8 -10.824 -2.554 7.927 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.117 -1.285 8.421 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.207 -2.220 7.278 1.00 18.59 C ATOM 0 H LEU A 8 -8.266 -4.281 5.324 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.054 -3.325 7.942 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.629 -2.494 6.117 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.572 -3.960 6.294 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.973 -3.203 8.790 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.728 -0.801 9.182 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.149 -1.550 8.847 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.970 -0.601 7.585 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.846 -1.732 8.014 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.059 -1.554 6.428 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.682 -3.141 6.939 1.00 18.59 H new ATOM 147 N THR A 9 -9.613 -6.287 7.702 1.00 18.33 N ATOM 148 CA THR A 9 -10.086 -7.409 8.517 1.00 19.24 C ATOM 149 C THR A 9 -9.017 -8.470 8.712 1.00 19.48 C ATOM 150 O THR A 9 -9.279 -9.570 9.240 1.00 23.14 O ATOM 151 CB THR A 9 -11.307 -8.253 8.008 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.076 -8.763 6.691 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.412 -7.190 7.836 1.00 19.70 C ATOM 0 H THR A 9 -9.683 -6.453 6.698 1.00 18.33 H new ATOM 0 HA THR A 9 -10.380 -6.852 9.407 1.00 19.24 H new ATOM 0 HB THR A 9 -11.520 -9.083 8.682 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.853 -9.286 6.402 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.324 -7.668 7.480 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.605 -6.708 8.794 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.088 -6.442 7.112 1.00 19.70 H new ATOM 161 N GLY A 10 -7.775 -8.054 8.442 1.00 19.43 N ATOM 162 CA GLY A 10 -6.573 -8.820 8.655 1.00 18.74 C ATOM 163 C GLY A 10 -6.210 -9.993 7.782 1.00 17.62 C ATOM 164 O GLY A 10 -5.600 -10.921 8.270 1.00 19.74 O ATOM 0 H GLY A 10 -7.587 -7.130 8.052 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.740 -8.119 8.603 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.614 -9.191 9.679 1.00 18.74 H new ATOM 168 N LYS A 11 -6.523 -9.916 6.530 1.00 13.56 N ATOM 169 CA LYS A 11 -6.136 -10.885 5.464 1.00 11.91 C ATOM 170 C LYS A 11 -4.737 -10.507 5.112 1.00 10.18 C ATOM 171 O LYS A 11 -4.352 -9.359 5.156 1.00 9.10 O ATOM 172 CB LYS A 11 -7.025 -10.826 4.251 1.00 13.43 C ATOM 173 CG LYS A 11 -6.658 -11.807 3.101 1.00 16.69 C ATOM 174 CD LYS A 11 -7.815 -11.877 2.131 1.00 17.92 C ATOM 175 CE LYS A 11 -7.372 -12.809 0.878 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.423 -12.993 -0.165 1.00 21.93 N ATOM 0 H LYS A 11 -7.086 -9.147 6.166 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.232 -11.911 5.820 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.050 -11.028 4.563 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.006 -9.810 3.858 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.757 -11.468 2.590 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.443 -12.797 3.504 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.696 -12.292 2.620 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.082 -10.878 1.786 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.489 -12.371 0.412 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.080 -13.788 1.257 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.019 -13.499 -0.979 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.211 -13.545 0.230 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.772 -12.063 -0.474 1.00 21.93 H new ATOM 190 N THR A 12 -3.844 -11.449 4.844 1.00 9.63 N ATOM 191 CA THR A 12 -2.448 -11.155 4.487 1.00 9.85 C ATOM 192 C THR A 12 -2.317 -11.048 2.973 1.00 11.66 C ATOM 193 O THR A 12 -2.669 -11.899 2.209 1.00 12.33 O ATOM 194 CB THR A 12 -1.466 -12.210 4.940 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.657 -12.512 6.342 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.019 -11.711 4.843 1.00 9.63 C ATOM 0 H THR A 12 -4.060 -12.446 4.866 1.00 9.63 H new ATOM 0 HA THR A 12 -2.208 -10.221 4.996 1.00 9.85 H new ATOM 0 HB THR A 12 -1.637 -13.074 4.298 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.015 -13.198 6.619 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.660 -12.496 5.177 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.208 -11.451 3.809 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.105 -10.831 5.474 1.00 9.63 H new ATOM 204 N ILE A 13 -1.759 -9.954 2.485 1.00 10.42 N ATOM 205 CA ILE A 13 -1.458 -9.774 1.059 1.00 11.84 C ATOM 206 C ILE A 13 0.041 -9.807 1.080 1.00 10.55 C ATOM 207 O ILE A 13 0.630 -9.082 1.835 1.00 11.92 O ATOM 208 CB ILE A 13 -2.051 -8.533 0.369 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.540 -8.528 0.488 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.522 -8.543 -1.102 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.075 -7.199 -0.075 1.00 16.46 C ATOM 0 H ILE A 13 -1.497 -9.156 3.063 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.930 -10.537 0.440 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.737 -7.603 0.843 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.966 -9.369 -0.059 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.836 -8.643 1.531 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.916 -7.679 -1.636 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.433 -8.501 -1.097 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.848 -9.456 -1.600 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.162 -7.181 0.005 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.655 -6.368 0.492 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.787 -7.105 -1.122 1.00 16.46 H new ATOM 223 N THR A 14 0.593 -10.633 0.189 1.00 9.39 N ATOM 224 CA THR A 14 2.002 -10.604 -0.094 1.00 9.63 C ATOM 225 C THR A 14 2.049 -10.108 -1.526 1.00 11.20 C ATOM 226 O THR A 14 1.374 -10.615 -2.400 1.00 11.63 O ATOM 227 CB THR A 14 2.722 -11.890 -0.066 1.00 10.38 C ATOM 228 OG1 THR A 14 2.629 -12.439 1.231 1.00 16.30 O ATOM 229 CG2 THR A 14 4.219 -11.683 -0.335 1.00 11.66 C ATOM 0 H THR A 14 0.070 -11.328 -0.344 1.00 9.39 H new ATOM 0 HA THR A 14 2.489 -10.006 0.676 1.00 9.63 H new ATOM 0 HB THR A 14 2.281 -12.537 -0.824 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.104 -13.296 1.258 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.730 -12.646 -0.309 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.353 -11.227 -1.316 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.639 -11.029 0.429 1.00 11.66 H new ATOM 237 N LEU A 15 2.896 -9.069 -1.793 1.00 8.29 N ATOM 238 CA LEU A 15 3.096 -8.498 -3.151 1.00 9.03 C ATOM 239 C LEU A 15 4.575 -8.701 -3.653 1.00 8.59 C ATOM 240 O LEU A 15 5.493 -8.882 -2.877 1.00 7.79 O ATOM 241 CB LEU A 15 2.872 -6.916 -3.218 1.00 11.08 C ATOM 242 CG LEU A 15 1.385 -6.484 -2.997 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.381 -4.990 -2.876 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.421 -7.029 -4.060 1.00 15.27 C ATOM 0 H LEU A 15 3.454 -8.610 -1.073 1.00 8.29 H new ATOM 0 HA LEU A 15 2.362 -9.024 -3.762 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.497 -6.437 -2.464 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.207 -6.551 -4.189 1.00 11.08 H new ATOM 0 HG LEU A 15 0.996 -6.929 -2.081 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.360 -4.640 -2.720 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.000 -4.692 -2.030 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.780 -4.550 -3.790 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.591 -6.689 -3.842 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.721 -6.667 -5.043 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.447 -8.119 -4.051 1.00 15.27 H new ATOM 256 N GLU A 16 4.855 -8.625 -4.995 1.00 11.04 N ATOM 257 CA GLU A 16 6.172 -8.535 -5.547 1.00 11.50 C ATOM 258 C GLU A 16 6.179 -7.161 -6.186 1.00 10.13 C ATOM 259 O GLU A 16 5.345 -6.847 -7.034 1.00 9.83 O ATOM 260 CB GLU A 16 6.324 -9.604 -6.566 1.00 17.22 C ATOM 261 CG GLU A 16 7.658 -9.441 -7.441 1.00 23.33 C ATOM 262 CD GLU A 16 8.896 -9.927 -6.622 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.877 -11.056 -6.091 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.844 -9.135 -6.476 1.00 28.86 O ATOM 0 H GLU A 16 4.124 -8.628 -5.707 1.00 11.04 H new ATOM 0 HA GLU A 16 6.982 -8.658 -4.828 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.337 -10.574 -6.069 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.458 -9.596 -7.227 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.572 -10.018 -8.362 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.789 -8.398 -7.729 1.00 23.33 H new ATOM 271 N VAL A 17 6.985 -6.245 -5.656 1.00 8.99 N ATOM 272 CA VAL A 17 7.058 -4.859 -6.081 1.00 8.85 C ATOM 273 C VAL A 17 8.489 -4.491 -6.420 1.00 8.04 C ATOM 274 O VAL A 17 9.402 -5.267 -6.132 1.00 8.99 O ATOM 275 CB VAL A 17 6.577 -3.836 -5.113 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.038 -4.215 -4.920 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.232 -3.946 -3.719 1.00 10.54 C ATOM 0 H VAL A 17 7.626 -6.460 -4.892 1.00 8.99 H new ATOM 0 HA VAL A 17 6.381 -4.830 -6.935 1.00 8.85 H new ATOM 0 HB VAL A 17 6.794 -2.836 -5.488 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.577 -3.519 -4.219 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.525 -4.155 -5.880 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.959 -5.229 -4.529 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.833 -3.169 -3.067 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.015 -4.925 -3.291 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.311 -3.822 -3.813 1.00 10.54 H new ATOM 287 N GLU A 18 8.680 -3.325 -7.025 1.00 7.29 N ATOM 288 CA GLU A 18 10.088 -2.803 -7.212 1.00 7.08 C ATOM 289 C GLU A 18 10.166 -1.653 -6.307 1.00 6.45 C ATOM 290 O GLU A 18 9.129 -1.100 -5.967 1.00 5.28 O ATOM 291 CB GLU A 18 10.316 -2.304 -8.633 1.00 10.28 C ATOM 292 CG GLU A 18 10.429 -3.427 -9.714 1.00 12.65 C ATOM 293 CD GLU A 18 11.015 -2.904 -11.017 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.310 -2.137 -11.797 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.172 -3.251 -11.439 1.00 18.17 O ATOM 0 H GLU A 18 7.939 -2.726 -7.389 1.00 7.29 H new ATOM 0 HA GLU A 18 10.826 -3.581 -7.018 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.496 -1.639 -8.905 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.229 -1.709 -8.652 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.054 -4.235 -9.334 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.442 -3.849 -9.903 1.00 12.65 H new ATOM 302 N PRO A 19 11.301 -1.217 -5.850 1.00 7.24 N ATOM 303 CA PRO A 19 11.443 -0.155 -4.804 1.00 7.07 C ATOM 304 C PRO A 19 11.201 1.184 -5.479 1.00 6.65 C ATOM 305 O PRO A 19 10.898 2.115 -4.722 1.00 6.37 O ATOM 306 CB PRO A 19 12.868 -0.346 -4.227 1.00 7.61 C ATOM 307 CG PRO A 19 13.633 -1.195 -5.302 1.00 8.16 C ATOM 308 CD PRO A 19 12.556 -1.975 -5.966 1.00 7.49 C ATOM 0 HA PRO A 19 10.731 -0.207 -3.980 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.358 0.613 -4.061 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.839 -0.860 -3.266 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.163 -0.559 -6.012 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.375 -1.848 -4.843 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.801 -2.146 -7.014 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.453 -2.955 -5.499 1.00 7.49 H new ATOM 316 N SER A 20 11.308 1.291 -6.840 1.00 6.80 N ATOM 317 CA SER A 20 10.977 2.466 -7.678 1.00 6.28 C ATOM 318 C SER A 20 9.468 2.565 -8.085 1.00 8.45 C ATOM 319 O SER A 20 9.017 3.529 -8.698 1.00 7.26 O ATOM 320 CB SER A 20 11.777 2.537 -9.034 1.00 8.57 C ATOM 321 OG SER A 20 13.184 2.470 -8.881 1.00 11.13 O ATOM 0 H SER A 20 11.647 0.511 -7.403 1.00 6.80 H new ATOM 0 HA SER A 20 11.255 3.285 -7.015 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.453 1.719 -9.677 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.522 3.465 -9.546 1.00 8.57 H new ATOM 0 HG SER A 20 13.611 2.518 -9.762 1.00 11.13 H new ATOM 327 N ASP A 21 8.618 1.666 -7.672 1.00 7.50 N ATOM 328 CA ASP A 21 7.186 1.785 -7.709 1.00 7.70 C ATOM 329 C ASP A 21 6.747 2.782 -6.641 1.00 7.08 C ATOM 330 O ASP A 21 7.271 2.874 -5.527 1.00 8.11 O ATOM 331 CB ASP A 21 6.545 0.398 -7.395 1.00 11.00 C ATOM 332 CG ASP A 21 6.670 -0.679 -8.482 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.077 -0.358 -9.660 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.356 -1.860 -8.228 1.00 14.36 O ATOM 0 H ASP A 21 8.925 0.777 -7.277 1.00 7.50 H new ATOM 0 HA ASP A 21 6.869 2.124 -8.695 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.997 0.013 -6.481 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.486 0.551 -7.187 1.00 11.00 H new ATOM 339 N THR A 22 5.709 3.580 -7.008 1.00 5.37 N ATOM 340 CA THR A 22 5.162 4.662 -6.126 1.00 6.01 C ATOM 341 C THR A 22 3.974 4.093 -5.406 1.00 8.01 C ATOM 342 O THR A 22 3.548 2.940 -5.684 1.00 8.11 O ATOM 343 CB THR A 22 4.639 5.902 -6.853 1.00 8.92 C ATOM 344 OG1 THR A 22 3.745 5.510 -7.858 1.00 10.22 O ATOM 345 CG2 THR A 22 5.869 6.535 -7.463 1.00 9.65 C ATOM 0 H THR A 22 5.231 3.499 -7.905 1.00 5.37 H new ATOM 0 HA THR A 22 5.993 4.976 -5.494 1.00 6.01 H new ATOM 0 HB THR A 22 4.110 6.589 -6.193 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.408 6.304 -8.324 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.583 7.436 -8.006 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.574 6.796 -6.673 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.338 5.831 -8.150 1.00 9.65 H new ATOM 353 N ILE A 23 3.454 4.749 -4.337 1.00 8.32 N ATOM 354 CA ILE A 23 2.334 4.246 -3.569 1.00 9.92 C ATOM 355 C ILE A 23 1.075 4.141 -4.493 1.00 10.01 C ATOM 356 O ILE A 23 0.180 3.247 -4.307 1.00 8.71 O ATOM 357 CB ILE A 23 2.057 5.113 -2.338 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.401 5.292 -1.518 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.941 4.547 -1.471 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.147 4.013 -1.076 1.00 12.30 C ATOM 0 H ILE A 23 3.815 5.641 -4.000 1.00 8.32 H new ATOM 0 HA ILE A 23 2.583 3.252 -3.197 1.00 9.92 H new ATOM 0 HB ILE A 23 1.707 6.089 -2.673 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.085 5.888 -2.121 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.174 5.874 -0.625 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.783 5.198 -0.611 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.022 4.487 -2.054 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.218 3.551 -1.126 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.047 4.288 -0.526 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.498 3.416 -0.435 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.423 3.431 -1.955 1.00 12.30 H new ATOM 372 N GLU A 24 1.016 4.979 -5.541 1.00 9.54 N ATOM 373 CA GLU A 24 0.010 4.910 -6.618 1.00 11.81 C ATOM 374 C GLU A 24 0.104 3.530 -7.365 1.00 11.14 C ATOM 375 O GLU A 24 -0.873 2.785 -7.546 1.00 10.62 O ATOM 376 CB GLU A 24 0.189 6.093 -7.626 1.00 19.24 C ATOM 377 CG GLU A 24 -0.925 6.254 -8.674 1.00 27.76 C ATOM 378 CD GLU A 24 -0.691 7.514 -9.474 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.328 7.581 -10.238 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.586 8.380 -9.416 1.00 36.51 O ATOM 0 H GLU A 24 1.681 5.742 -5.667 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.979 4.997 -6.168 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.265 7.021 -7.059 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.137 5.960 -8.148 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.942 5.389 -9.337 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.897 6.299 -8.182 1.00 27.76 H new ATOM 387 N ASN A 25 1.332 3.101 -7.668 1.00 9.43 N ATOM 388 CA ASN A 25 1.602 1.804 -8.356 1.00 10.96 C ATOM 389 C ASN A 25 1.287 0.615 -7.495 1.00 9.68 C ATOM 390 O ASN A 25 0.702 -0.345 -8.011 1.00 9.33 O ATOM 391 CB ASN A 25 3.140 1.694 -8.784 1.00 16.78 C ATOM 392 CG ASN A 25 3.575 2.806 -9.750 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.762 3.087 -9.724 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.709 3.421 -10.592 1.00 24.70 N ATOM 0 H ASN A 25 2.176 3.631 -7.450 1.00 9.43 H new ATOM 0 HA ASN A 25 0.951 1.795 -9.231 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.764 1.732 -7.891 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.313 0.725 -9.253 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.044 4.143 -11.230 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.723 3.162 -10.588 1.00 24.70 H new ATOM 401 N VAL A 26 1.616 0.689 -6.182 1.00 6.52 N ATOM 402 CA VAL A 26 1.252 -0.263 -5.214 1.00 5.53 C ATOM 403 C VAL A 26 -0.237 -0.476 -5.054 1.00 4.42 C ATOM 404 O VAL A 26 -0.737 -1.596 -4.939 1.00 3.40 O ATOM 405 CB VAL A 26 1.841 -0.072 -3.815 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.632 -1.334 -2.837 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.326 0.128 -3.778 1.00 8.12 C ATOM 0 H VAL A 26 2.163 1.459 -5.798 1.00 6.52 H new ATOM 0 HA VAL A 26 1.708 -1.148 -5.658 1.00 5.53 H new ATOM 0 HB VAL A 26 1.296 0.815 -3.492 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.078 -1.119 -1.866 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.566 -1.526 -2.713 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.111 -2.213 -3.269 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.650 0.254 -2.745 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.821 -0.742 -4.210 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.588 1.017 -4.352 1.00 8.12 H new ATOM 417 N LYS A 27 -1.036 0.566 -5.136 1.00 2.64 N ATOM 418 CA LYS A 27 -2.491 0.346 -5.051 1.00 4.14 C ATOM 419 C LYS A 27 -3.091 -0.442 -6.208 1.00 5.58 C ATOM 420 O LYS A 27 -3.964 -1.275 -6.073 1.00 4.11 O ATOM 421 CB LYS A 27 -3.185 1.653 -4.906 1.00 3.97 C ATOM 422 CG LYS A 27 -2.980 2.457 -3.606 1.00 7.45 C ATOM 423 CD LYS A 27 -3.769 3.747 -3.493 1.00 9.02 C ATOM 424 CE LYS A 27 -3.146 4.957 -4.177 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.147 6.015 -4.196 1.00 15.47 N ATOM 0 H LYS A 27 -0.738 1.534 -5.256 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.646 -0.278 -4.171 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.877 2.286 -5.739 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.254 1.475 -5.020 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.242 1.819 -2.762 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.920 2.693 -3.511 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.761 3.584 -3.914 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.905 3.978 -2.437 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.254 5.283 -3.641 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.835 4.706 -5.191 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.705 6.906 -4.501 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.908 5.761 -4.858 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.544 6.134 -3.242 1.00 15.47 H new ATOM 439 N ALA A 28 -2.541 -0.219 -7.419 1.00 6.61 N ATOM 440 CA ALA A 28 -2.980 -1.093 -8.493 1.00 7.74 C ATOM 441 C ALA A 28 -2.560 -2.518 -8.488 1.00 9.17 C ATOM 442 O ALA A 28 -3.237 -3.403 -9.036 1.00 11.45 O ATOM 443 CB ALA A 28 -2.618 -0.405 -9.788 1.00 7.68 C ATOM 0 H ALA A 28 -1.853 0.496 -7.655 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.052 -1.220 -8.344 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.929 -1.025 -10.629 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.124 0.559 -9.842 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.540 -0.252 -9.829 1.00 7.68 H new ATOM 449 N LYS A 29 -1.456 -2.750 -7.752 1.00 8.96 N ATOM 450 CA LYS A 29 -0.996 -4.096 -7.370 1.00 7.90 C ATOM 451 C LYS A 29 -1.941 -4.797 -6.343 1.00 6.92 C ATOM 452 O LYS A 29 -2.244 -5.984 -6.477 1.00 6.87 O ATOM 453 CB LYS A 29 0.440 -3.901 -6.984 1.00 10.28 C ATOM 454 CG LYS A 29 1.319 -5.124 -7.210 1.00 14.94 C ATOM 455 CD LYS A 29 1.565 -5.427 -8.680 1.00 19.69 C ATOM 456 CE LYS A 29 2.693 -6.379 -9.180 1.00 22.63 C ATOM 457 NZ LYS A 29 4.040 -5.685 -9.247 1.00 24.98 N ATOM 0 H LYS A 29 -0.855 -2.003 -7.404 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.045 -4.828 -8.176 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.847 -3.065 -7.553 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.487 -3.623 -5.931 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.277 -4.971 -6.713 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.852 -5.990 -6.741 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.629 -5.825 -9.073 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.733 -4.467 -9.168 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.762 -7.239 -8.514 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.433 -6.760 -10.167 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.494 -5.896 -10.158 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.906 -4.658 -9.156 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.645 -6.025 -8.472 1.00 24.98 H new ATOM 471 N ILE A 30 -2.380 -4.060 -5.266 1.00 4.57 N ATOM 472 CA ILE A 30 -3.329 -4.569 -4.275 1.00 5.58 C ATOM 473 C ILE A 30 -4.676 -4.891 -4.869 1.00 7.26 C ATOM 474 O ILE A 30 -5.359 -5.842 -4.480 1.00 9.46 O ATOM 475 CB ILE A 30 -3.456 -3.643 -3.056 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.155 -3.421 -2.278 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.680 -3.976 -2.188 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.332 -2.463 -1.150 1.00 2.00 C ATOM 0 H ILE A 30 -2.073 -3.105 -5.084 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.910 -5.511 -3.920 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.655 -2.653 -3.466 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.798 -4.375 -1.890 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.388 -3.045 -2.955 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.722 -3.292 -1.341 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.587 -3.873 -2.783 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.600 -5.000 -1.824 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.384 -2.337 -0.628 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.663 -1.500 -1.539 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.079 -2.851 -0.457 1.00 2.00 H new ATOM 490 N GLN A 31 -5.111 -4.088 -5.868 1.00 7.06 N ATOM 491 CA GLN A 31 -6.326 -4.230 -6.598 1.00 8.67 C ATOM 492 C GLN A 31 -6.270 -5.528 -7.434 1.00 10.90 C ATOM 493 O GLN A 31 -7.249 -6.285 -7.463 1.00 9.63 O ATOM 494 CB GLN A 31 -6.605 -3.151 -7.628 1.00 9.12 C ATOM 495 CG GLN A 31 -7.926 -3.218 -8.375 1.00 10.76 C ATOM 496 CD GLN A 31 -8.108 -2.079 -9.349 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.219 -1.427 -9.949 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.392 -1.748 -9.553 1.00 14.76 N ATOM 0 H GLN A 31 -4.567 -3.284 -6.181 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.095 -4.198 -5.826 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.551 -2.185 -7.126 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.801 -3.173 -8.364 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.985 -4.163 -8.914 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.745 -3.209 -7.656 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.133 -2.263 -9.077 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.627 -0.982 -10.184 1.00 14.76 H new ATOM 507 N ASP A 32 -5.144 -5.763 -8.196 1.00 10.93 N ATOM 508 CA ASP A 32 -4.981 -7.080 -8.876 1.00 14.01 C ATOM 509 C ASP A 32 -5.160 -8.279 -7.922 1.00 14.04 C ATOM 510 O ASP A 32 -5.807 -9.217 -8.438 1.00 13.39 O ATOM 511 CB ASP A 32 -3.519 -7.103 -9.530 1.00 18.01 C ATOM 512 CG ASP A 32 -3.521 -8.156 -10.650 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.999 -7.866 -11.784 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.920 -9.241 -10.442 1.00 26.29 O ATOM 0 H ASP A 32 -4.386 -5.097 -8.343 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.760 -7.184 -9.631 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.264 -6.121 -9.929 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.768 -7.346 -8.778 1.00 18.01 H new ATOM 519 N LYS A 33 -4.659 -8.245 -6.732 1.00 14.22 N ATOM 520 CA LYS A 33 -4.875 -9.361 -5.853 1.00 14.00 C ATOM 521 C LYS A 33 -6.316 -9.550 -5.376 1.00 12.37 C ATOM 522 O LYS A 33 -6.929 -10.600 -5.500 1.00 12.17 O ATOM 523 CB LYS A 33 -3.956 -9.252 -4.598 1.00 18.62 C ATOM 524 CG LYS A 33 -2.474 -9.329 -4.798 1.00 24.00 C ATOM 525 CD LYS A 33 -1.939 -10.750 -5.218 1.00 27.61 C ATOM 526 CE LYS A 33 -0.458 -10.874 -5.008 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.157 -12.311 -4.944 1.00 30.06 N ATOM 0 H LYS A 33 -4.108 -7.478 -6.346 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.631 -10.232 -6.461 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.177 -8.305 -4.105 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.240 -10.045 -3.907 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.186 -8.607 -5.562 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.980 -9.029 -3.874 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.453 -11.517 -4.639 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.174 -10.931 -6.267 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.089 -10.400 -5.823 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.155 -10.374 -4.088 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.864 -12.446 -4.798 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.679 -12.740 -4.153 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.443 -12.766 -5.835 1.00 30.06 H new ATOM 541 N GLU A 34 -6.851 -8.516 -4.732 1.00 10.11 N ATOM 542 CA GLU A 34 -8.088 -8.611 -3.961 1.00 10.07 C ATOM 543 C GLU A 34 -9.294 -7.795 -4.443 1.00 9.32 C ATOM 544 O GLU A 34 -10.394 -7.880 -3.903 1.00 11.61 O ATOM 545 CB GLU A 34 -7.772 -8.035 -2.557 1.00 14.77 C ATOM 546 CG GLU A 34 -6.806 -9.025 -1.745 1.00 18.75 C ATOM 547 CD GLU A 34 -7.264 -10.440 -1.744 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.477 -10.681 -1.531 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.391 -11.363 -1.821 1.00 21.95 O ATOM 0 H GLU A 34 -6.437 -7.584 -4.730 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.374 -9.660 -4.030 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.299 -7.058 -2.657 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.698 -7.886 -2.002 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.806 -8.976 -2.176 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.727 -8.677 -0.715 1.00 18.75 H new ATOM 556 N GLY A 35 -9.174 -7.021 -5.551 1.00 7.22 N ATOM 557 CA GLY A 35 -10.271 -6.227 -6.132 1.00 6.29 C ATOM 558 C GLY A 35 -10.596 -4.887 -5.430 1.00 6.93 C ATOM 559 O GLY A 35 -11.603 -4.230 -5.714 1.00 7.41 O ATOM 0 H GLY A 35 -8.299 -6.934 -6.068 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.027 -6.017 -7.173 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.173 -6.840 -6.134 1.00 6.29 H new ATOM 563 N ILE A 36 -9.807 -4.533 -4.495 1.00 5.86 N ATOM 564 CA ILE A 36 -10.118 -3.338 -3.680 1.00 6.07 C ATOM 565 C ILE A 36 -9.835 -2.044 -4.330 1.00 6.36 C ATOM 566 O ILE A 36 -8.721 -1.920 -4.706 1.00 6.18 O ATOM 567 CB ILE A 36 -9.369 -3.435 -2.311 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.784 -4.759 -1.619 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.706 -2.260 -1.408 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.793 -5.031 -0.509 1.00 9.49 C ATOM 0 H ILE A 36 -8.945 -5.017 -4.246 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.199 -3.347 -3.538 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.295 -3.414 -2.494 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.794 -4.680 -1.218 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.789 -5.580 -2.336 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.168 -2.360 -0.465 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.413 -1.330 -1.896 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.779 -2.246 -1.214 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.060 -5.959 -0.002 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.792 -5.122 -0.930 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.813 -4.209 0.206 1.00 9.49 H new ATOM 582 N PRO A 37 -10.702 -1.098 -4.626 1.00 8.65 N ATOM 583 CA PRO A 37 -10.332 -0.252 -5.707 1.00 9.18 C ATOM 584 C PRO A 37 -9.371 0.850 -5.272 1.00 9.85 C ATOM 585 O PRO A 37 -9.674 1.376 -4.177 1.00 8.51 O ATOM 586 CB PRO A 37 -11.659 0.367 -6.203 1.00 11.42 C ATOM 587 CG PRO A 37 -12.734 -0.529 -5.645 1.00 9.27 C ATOM 588 CD PRO A 37 -12.158 -1.106 -4.388 1.00 8.33 C ATOM 0 HA PRO A 37 -9.810 -0.815 -6.481 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.774 1.391 -5.849 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.697 0.400 -7.292 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.645 0.032 -5.438 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.997 -1.315 -6.353 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.423 -0.508 -3.516 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.527 -2.115 -4.206 1.00 8.33 H new ATOM 596 N PRO A 38 -8.251 1.252 -5.999 1.00 8.71 N ATOM 597 CA PRO A 38 -7.312 2.292 -5.485 1.00 9.08 C ATOM 598 C PRO A 38 -7.925 3.599 -5.095 1.00 9.28 C ATOM 599 O PRO A 38 -7.296 4.331 -4.343 1.00 6.50 O ATOM 600 CB PRO A 38 -6.378 2.539 -6.660 1.00 10.31 C ATOM 601 CG PRO A 38 -6.302 1.157 -7.363 1.00 10.81 C ATOM 602 CD PRO A 38 -7.768 0.753 -7.291 1.00 12.00 C ATOM 0 HA PRO A 38 -6.855 1.927 -4.565 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.768 3.307 -7.327 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.396 2.874 -6.328 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.938 1.229 -8.388 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.649 0.457 -6.841 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.335 1.186 -8.115 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.880 -0.329 -7.360 1.00 12.00 H new ATOM 610 N ASP A 39 -9.124 3.979 -5.560 1.00 11.20 N ATOM 611 CA ASP A 39 -9.870 5.149 -5.090 1.00 14.96 C ATOM 612 C ASP A 39 -10.203 5.021 -3.655 1.00 13.99 C ATOM 613 O ASP A 39 -10.197 5.967 -2.896 1.00 13.75 O ATOM 614 CB ASP A 39 -11.243 5.356 -5.820 1.00 24.16 C ATOM 615 CG ASP A 39 -10.977 5.782 -7.262 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.337 6.823 -7.483 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.403 5.058 -8.204 1.00 34.22 O ATOM 0 H ASP A 39 -9.612 3.465 -6.293 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.209 5.991 -5.296 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.823 4.433 -5.800 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.833 6.115 -5.306 1.00 24.16 H new ATOM 622 N GLN A 40 -10.508 3.823 -3.183 1.00 11.60 N ATOM 623 CA GLN A 40 -10.982 3.554 -1.803 1.00 10.76 C ATOM 624 C GLN A 40 -9.891 3.265 -0.779 1.00 8.01 C ATOM 625 O GLN A 40 -10.112 3.424 0.402 1.00 8.96 O ATOM 626 CB GLN A 40 -12.065 2.441 -1.707 1.00 11.14 C ATOM 627 CG GLN A 40 -13.353 2.858 -2.465 1.00 14.85 C ATOM 628 CD GLN A 40 -14.511 1.844 -2.225 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.450 0.726 -2.726 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.572 2.197 -1.454 1.00 18.16 N ATOM 0 H GLN A 40 -10.437 2.978 -3.750 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.431 4.512 -1.543 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.676 1.512 -2.125 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.300 2.246 -0.661 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.664 3.850 -2.138 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.142 2.925 -3.532 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.615 3.129 -1.041 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.326 1.530 -1.288 1.00 18.16 H new ATOM 639 N GLN A 41 -8.694 2.854 -1.235 1.00 6.52 N ATOM 640 CA GLN A 41 -7.540 2.501 -0.451 1.00 3.87 C ATOM 641 C GLN A 41 -6.819 3.631 0.324 1.00 4.79 C ATOM 642 O GLN A 41 -6.396 4.646 -0.198 1.00 6.34 O ATOM 643 CB GLN A 41 -6.547 1.892 -1.450 1.00 4.20 C ATOM 644 CG GLN A 41 -7.061 0.546 -2.048 1.00 3.20 C ATOM 645 CD GLN A 41 -5.965 -0.247 -2.765 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.822 -0.372 -2.376 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.224 -0.775 -3.968 1.00 7.13 N ATOM 0 H GLN A 41 -8.515 2.760 -2.235 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.894 1.842 0.342 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.367 2.601 -2.258 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.591 1.725 -0.953 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.479 -0.065 -1.248 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.870 0.752 -2.748 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.162 -0.710 -4.362 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.483 -1.242 -4.490 1.00 7.13 H new ATOM 656 N ARG A 42 -6.598 3.393 1.641 1.00 5.73 N ATOM 657 CA ARG A 42 -5.727 4.281 2.403 1.00 6.97 C ATOM 658 C ARG A 42 -4.501 3.433 2.856 1.00 7.15 C ATOM 659 O ARG A 42 -4.608 2.606 3.763 1.00 7.33 O ATOM 660 CB ARG A 42 -6.505 4.862 3.593 1.00 13.23 C ATOM 661 CG ARG A 42 -5.632 5.629 4.615 1.00 21.27 C ATOM 662 CD ARG A 42 -6.497 6.341 5.651 1.00 26.14 C ATOM 663 NE ARG A 42 -7.176 7.500 4.961 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.832 8.500 5.575 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.378 8.374 6.812 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.162 9.633 4.935 1.00 36.39 N ATOM 0 H ARG A 42 -7.001 2.619 2.170 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.381 5.127 1.810 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.275 5.534 3.215 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.017 4.049 4.108 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.957 4.934 5.115 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.011 6.357 4.093 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.236 5.657 6.067 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.886 6.695 6.482 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.133 7.526 3.942 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.299 7.491 7.317 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.867 9.162 7.236 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.915 9.755 3.953 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.660 10.372 5.431 1.00 36.39 H new ATOM 680 N LEU A 43 -3.344 3.657 2.171 1.00 4.65 N ATOM 681 CA LEU A 43 -2.099 2.939 2.493 1.00 3.51 C ATOM 682 C LEU A 43 -1.244 3.476 3.594 1.00 5.56 C ATOM 683 O LEU A 43 -1.006 4.660 3.620 1.00 4.19 O ATOM 684 CB LEU A 43 -1.221 2.536 1.236 1.00 3.74 C ATOM 685 CG LEU A 43 -2.019 1.812 0.066 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.991 1.240 -0.903 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.934 0.700 0.589 1.00 6.41 C ATOM 0 H LEU A 43 -3.258 4.323 1.403 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.530 2.030 2.914 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.753 3.435 0.835 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.417 1.879 1.568 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.667 2.535 -0.428 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.504 0.734 -1.721 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.379 2.048 -1.303 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.354 0.528 -0.379 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.457 0.236 -0.247 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.336 -0.051 1.105 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.661 1.123 1.282 1.00 6.41 H new ATOM 699 N ILE A 44 -0.924 2.660 4.575 1.00 4.58 N ATOM 700 CA ILE A 44 -0.312 3.006 5.851 1.00 5.55 C ATOM 701 C ILE A 44 0.976 2.200 5.971 1.00 5.46 C ATOM 702 O ILE A 44 1.045 1.072 5.503 1.00 6.04 O ATOM 703 CB ILE A 44 -1.227 2.577 7.065 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.654 3.196 6.939 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.545 3.031 8.364 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.638 4.768 6.865 1.00 13.90 C ATOM 0 H ILE A 44 -1.096 1.657 4.500 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.152 4.084 5.881 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.349 1.494 7.069 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.138 2.801 6.046 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.256 2.884 7.792 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.160 2.745 9.217 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.433 2.557 8.446 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.423 4.114 8.352 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.659 5.139 6.778 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.182 5.170 7.769 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.062 5.085 5.996 1.00 13.90 H new ATOM 718 N PHE A 45 2.047 2.772 6.629 1.00 6.75 N ATOM 719 CA PHE A 45 3.130 1.946 7.163 1.00 4.70 C ATOM 720 C PHE A 45 3.694 2.502 8.507 1.00 6.34 C ATOM 721 O PHE A 45 4.118 3.641 8.562 1.00 5.45 O ATOM 722 CB PHE A 45 4.253 2.135 6.081 1.00 5.51 C ATOM 723 CG PHE A 45 5.543 1.357 6.426 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.587 0.037 6.864 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.809 2.056 6.294 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.794 -0.649 7.031 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.024 1.440 6.586 1.00 6.64 C ATOM 728 CZ PHE A 45 8.001 0.046 6.868 1.00 6.84 C ATOM 0 H PHE A 45 2.157 3.774 6.785 1.00 6.75 H new ATOM 0 HA PHE A 45 2.800 0.924 7.352 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.880 1.802 5.112 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.486 3.195 5.985 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.660 -0.473 7.082 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.809 3.083 5.960 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.797 -1.699 7.282 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.948 1.999 6.598 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.935 -0.489 6.959 1.00 6.84 H new ATOM 738 N ALA A 46 3.589 1.725 9.603 1.00 6.53 N ATOM 739 CA ALA A 46 4.059 2.167 10.910 1.00 7.15 C ATOM 740 C ALA A 46 3.366 3.394 11.406 1.00 9.00 C ATOM 741 O ALA A 46 3.963 4.264 12.008 1.00 11.15 O ATOM 742 CB ALA A 46 5.584 2.235 11.115 1.00 8.99 C ATOM 0 H ALA A 46 3.181 0.790 9.598 1.00 6.53 H new ATOM 0 HA ALA A 46 3.758 1.336 11.548 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.800 2.577 12.127 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.016 1.245 10.967 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.017 2.931 10.396 1.00 8.99 H new ATOM 748 N GLY A 47 2.085 3.449 11.010 1.00 9.35 N ATOM 749 CA GLY A 47 1.102 4.492 11.357 1.00 11.68 C ATOM 750 C GLY A 47 1.250 5.671 10.504 1.00 11.14 C ATOM 751 O GLY A 47 0.519 6.602 10.694 1.00 13.93 O ATOM 0 H GLY A 47 1.684 2.730 10.407 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.093 4.092 11.255 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.227 4.779 12.401 1.00 11.68 H new ATOM 755 N LYS A 48 2.198 5.775 9.538 1.00 10.47 N ATOM 756 CA LYS A 48 2.292 6.922 8.630 1.00 8.82 C ATOM 757 C LYS A 48 1.443 6.682 7.374 1.00 7.68 C ATOM 758 O LYS A 48 1.739 5.698 6.681 1.00 6.47 O ATOM 759 CB LYS A 48 3.778 7.278 8.166 1.00 9.74 C ATOM 760 CG LYS A 48 4.018 8.424 7.123 1.00 14.14 C ATOM 761 CD LYS A 48 3.321 9.744 7.438 1.00 16.32 C ATOM 762 CE LYS A 48 3.628 10.823 6.483 1.00 20.04 C ATOM 763 NZ LYS A 48 2.981 12.074 6.871 1.00 23.92 N ATOM 0 H LYS A 48 2.911 5.064 9.376 1.00 10.47 H new ATOM 0 HA LYS A 48 1.922 7.768 9.209 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.346 7.530 9.061 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.217 6.368 7.756 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.090 8.606 7.047 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.684 8.079 6.145 1.00 14.14 H new ATOM 0 HD2 LYS A 48 2.243 9.580 7.452 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.608 10.065 8.439 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.707 10.970 6.431 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.297 10.534 5.485 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 3.215 12.815 6.180 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 1.950 11.938 6.897 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.316 12.361 7.813 1.00 23.92 H new ATOM 777 N GLN A 49 0.443 7.450 7.053 1.00 8.89 N ATOM 778 CA GLN A 49 -0.236 7.415 5.744 1.00 7.18 C ATOM 779 C GLN A 49 0.597 7.785 4.491 1.00 8.23 C ATOM 780 O GLN A 49 1.251 8.850 4.499 1.00 9.70 O ATOM 781 CB GLN A 49 -1.433 8.396 5.932 1.00 11.67 C ATOM 782 CG GLN A 49 -2.439 8.282 4.762 1.00 15.82 C ATOM 783 CD GLN A 49 -3.726 9.001 5.097 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.378 8.712 6.111 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.095 9.985 4.221 1.00 20.67 N ATOM 0 H GLN A 49 0.051 8.141 7.692 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.502 6.383 5.513 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.939 8.180 6.873 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.062 9.419 5.997 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.003 8.707 3.858 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.646 7.232 4.554 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.520 10.180 3.402 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.945 10.523 4.387 1.00 20.67 H new ATOM 794 N LEU A 50 0.588 6.975 3.455 1.00 6.51 N ATOM 795 CA LEU A 50 1.499 7.085 2.384 1.00 7.41 C ATOM 796 C LEU A 50 1.014 7.928 1.136 1.00 8.27 C ATOM 797 O LEU A 50 0.032 7.556 0.509 1.00 8.34 O ATOM 798 CB LEU A 50 2.054 5.717 1.964 1.00 7.13 C ATOM 799 CG LEU A 50 2.568 4.905 3.168 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.207 3.558 2.654 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.604 5.659 3.951 1.00 9.11 C ATOM 0 H LEU A 50 -0.078 6.209 3.351 1.00 6.51 H new ATOM 0 HA LEU A 50 2.309 7.684 2.800 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.275 5.152 1.452 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.866 5.859 1.250 1.00 7.13 H new ATOM 0 HG LEU A 50 1.718 4.710 3.822 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.572 2.981 3.504 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.454 2.979 2.119 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.037 3.782 1.984 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.939 5.051 4.791 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.453 5.887 3.306 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.173 6.588 4.325 1.00 9.11 H new ATOM 813 N GLU A 51 1.683 9.026 0.754 1.00 9.43 N ATOM 814 CA GLU A 51 1.320 9.885 -0.305 1.00 11.90 C ATOM 815 C GLU A 51 1.542 9.186 -1.659 1.00 11.49 C ATOM 816 O GLU A 51 2.523 8.516 -1.852 1.00 9.88 O ATOM 817 CB GLU A 51 2.013 11.279 -0.163 1.00 16.56 C ATOM 818 CG GLU A 51 1.711 12.174 -1.387 1.00 26.06 C ATOM 819 CD GLU A 51 0.286 12.655 -1.460 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.082 13.425 -0.545 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.491 12.289 -2.390 1.00 33.44 O ATOM 0 H GLU A 51 2.537 9.327 1.224 1.00 9.43 H new ATOM 0 HA GLU A 51 0.253 10.101 -0.257 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.667 11.771 0.746 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.090 11.145 -0.062 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.374 13.039 -1.364 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.943 11.619 -2.296 1.00 26.06 H new ATOM 828 N ASP A 52 0.608 9.393 -2.617 1.00 12.71 N ATOM 829 CA ASP A 52 0.515 8.660 -3.823 1.00 16.56 C ATOM 830 C ASP A 52 1.730 8.713 -4.780 1.00 15.83 C ATOM 831 O ASP A 52 2.289 7.656 -5.190 1.00 17.21 O ATOM 832 CB ASP A 52 -0.764 9.145 -4.590 1.00 21.05 C ATOM 833 CG ASP A 52 -2.012 8.977 -3.678 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.062 9.519 -2.573 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.998 8.344 -4.167 1.00 28.37 O ATOM 0 H ASP A 52 -0.111 10.111 -2.532 1.00 12.71 H new ATOM 0 HA ASP A 52 0.472 7.616 -3.514 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.652 10.189 -4.882 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.891 8.570 -5.507 1.00 21.05 H new ATOM 840 N GLY A 53 2.296 9.897 -5.012 1.00 15.00 N ATOM 841 CA GLY A 53 3.465 10.200 -5.841 1.00 11.77 C ATOM 842 C GLY A 53 4.825 10.129 -5.130 1.00 11.10 C ATOM 843 O GLY A 53 5.783 10.819 -5.471 1.00 11.25 O ATOM 0 H GLY A 53 1.916 10.743 -4.588 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.480 9.507 -6.683 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.344 11.201 -6.254 1.00 11.77 H new ATOM 847 N ARG A 54 5.026 9.144 -4.242 1.00 8.53 N ATOM 848 CA ARG A 54 6.321 8.948 -3.531 1.00 9.05 C ATOM 849 C ARG A 54 6.685 7.512 -3.838 1.00 8.96 C ATOM 850 O ARG A 54 5.845 6.640 -3.768 1.00 11.60 O ATOM 851 CB ARG A 54 6.104 9.086 -2.022 1.00 7.97 C ATOM 852 CG ARG A 54 5.618 10.437 -1.521 1.00 9.62 C ATOM 853 CD ARG A 54 6.578 11.581 -1.839 1.00 12.20 C ATOM 854 NE ARG A 54 5.784 12.799 -1.384 1.00 18.23 N ATOM 855 CZ ARG A 54 5.047 13.446 -2.270 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.873 13.158 -3.562 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.470 14.626 -1.893 1.00 23.38 N ATOM 0 H ARG A 54 4.311 8.462 -3.991 1.00 8.53 H new ATOM 0 HA ARG A 54 7.082 9.667 -3.833 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.384 8.329 -1.712 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.044 8.856 -1.521 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.646 10.653 -1.965 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.471 10.385 -0.442 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.520 11.484 -1.300 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.821 11.626 -2.901 1.00 12.20 H new ATOM 0 HE ARG A 54 5.821 13.110 -0.413 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.342 12.350 -3.972 1.00 25.50 H new ATOM 0 HH12 ARG A 54 4.271 13.746 -4.139 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.613 14.985 -0.949 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.896 15.148 -2.555 1.00 23.38 H new ATOM 871 N THR A 55 7.968 7.227 -4.161 1.00 9.05 N ATOM 872 CA THR A 55 8.481 5.876 -4.198 1.00 9.03 C ATOM 873 C THR A 55 8.530 5.137 -2.927 1.00 8.15 C ATOM 874 O THR A 55 8.801 5.705 -1.863 1.00 5.91 O ATOM 875 CB THR A 55 9.738 5.647 -4.937 1.00 11.15 C ATOM 876 OG1 THR A 55 10.899 6.347 -4.485 1.00 11.95 O ATOM 877 CG2 THR A 55 9.531 6.050 -6.404 1.00 11.71 C ATOM 0 H THR A 55 8.659 7.939 -4.399 1.00 9.05 H new ATOM 0 HA THR A 55 7.671 5.453 -4.792 1.00 9.03 H new ATOM 0 HB THR A 55 9.941 4.588 -4.775 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.622 5.707 -4.316 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.454 5.885 -6.960 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.733 5.447 -6.838 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.259 7.104 -6.457 1.00 11.71 H new ATOM 885 N LEU A 56 8.424 3.755 -2.963 1.00 6.91 N ATOM 886 CA LEU A 56 8.691 2.879 -1.769 1.00 8.29 C ATOM 887 C LEU A 56 10.108 3.121 -1.182 1.00 8.05 C ATOM 888 O LEU A 56 10.294 3.182 0.058 1.00 10.17 O ATOM 889 CB LEU A 56 8.624 1.386 -2.105 1.00 6.60 C ATOM 890 CG LEU A 56 7.227 0.780 -2.419 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.289 -0.670 -2.990 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.430 0.715 -1.110 1.00 8.64 C ATOM 0 H LEU A 56 8.158 3.237 -3.800 1.00 6.91 H new ATOM 0 HA LEU A 56 7.912 3.145 -1.054 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.269 1.206 -2.965 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.049 0.834 -1.267 1.00 6.60 H new ATOM 0 HG LEU A 56 6.768 1.418 -3.174 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.278 -1.028 -3.185 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.860 -0.671 -3.918 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.772 -1.326 -2.266 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.444 0.292 -1.305 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.959 0.087 -0.393 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.320 1.719 -0.701 1.00 8.64 H new ATOM 904 N SER A 57 11.094 3.388 -2.074 1.00 8.92 N ATOM 905 CA SER A 57 12.480 3.805 -1.758 1.00 9.00 C ATOM 906 C SER A 57 12.644 5.165 -1.146 1.00 9.44 C ATOM 907 O SER A 57 13.565 5.435 -0.393 1.00 10.91 O ATOM 908 CB SER A 57 13.388 3.682 -2.997 1.00 10.32 C ATOM 909 OG SER A 57 12.908 4.517 -4.025 1.00 13.59 O ATOM 0 H SER A 57 10.936 3.315 -3.079 1.00 8.92 H new ATOM 0 HA SER A 57 12.783 3.107 -0.978 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.410 3.958 -2.739 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.414 2.647 -3.339 1.00 10.32 H new ATOM 0 HG SER A 57 13.489 4.437 -4.810 1.00 13.59 H new ATOM 915 N ASP A 58 11.746 6.117 -1.508 1.00 9.11 N ATOM 916 CA ASP A 58 11.743 7.403 -0.854 1.00 7.91 C ATOM 917 C ASP A 58 11.251 7.321 0.596 1.00 9.12 C ATOM 918 O ASP A 58 11.690 8.112 1.458 1.00 8.61 O ATOM 919 CB ASP A 58 10.801 8.393 -1.713 1.00 8.41 C ATOM 920 CG ASP A 58 11.067 9.837 -1.448 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.196 10.368 -1.703 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.129 10.551 -1.017 1.00 10.05 O ATOM 0 H ASP A 58 11.040 6.001 -2.235 1.00 9.11 H new ATOM 0 HA ASP A 58 12.765 7.779 -0.809 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.947 8.192 -2.774 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.757 8.176 -1.488 1.00 8.41 H new ATOM 927 N TYR A 59 10.319 6.441 0.929 1.00 7.97 N ATOM 928 CA TYR A 59 9.752 6.312 2.295 1.00 8.45 C ATOM 929 C TYR A 59 10.576 5.359 3.206 1.00 10.98 C ATOM 930 O TYR A 59 10.368 5.279 4.402 1.00 12.95 O ATOM 931 CB TYR A 59 8.313 5.661 2.268 1.00 7.94 C ATOM 932 CG TYR A 59 7.243 6.716 2.241 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.920 7.546 3.351 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.387 6.797 1.107 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.899 8.485 3.410 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.296 7.742 1.120 1.00 6.52 C ATOM 937 CZ TYR A 59 5.058 8.523 2.230 1.00 6.76 C ATOM 938 OH TYR A 59 4.177 9.544 2.180 1.00 7.63 O ATOM 0 H TYR A 59 9.919 5.781 0.262 1.00 7.97 H new ATOM 0 HA TYR A 59 9.751 7.333 2.677 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.217 5.019 1.392 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.181 5.027 3.145 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.530 7.434 4.235 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.551 6.161 0.250 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.745 9.131 4.261 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.661 7.838 0.252 1.00 6.52 H new ATOM 0 HH TYR A 59 4.355 10.091 1.387 1.00 7.63 H new ATOM 948 N ASN A 60 11.574 4.716 2.576 1.00 12.38 N ATOM 949 CA ASN A 60 12.483 3.687 3.169 1.00 13.94 C ATOM 950 C ASN A 60 11.773 2.452 3.579 1.00 14.16 C ATOM 951 O ASN A 60 12.041 1.854 4.625 1.00 14.26 O ATOM 952 CB ASN A 60 13.377 4.268 4.264 1.00 19.23 C ATOM 953 CG ASN A 60 14.116 5.449 3.611 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.724 6.618 3.769 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.273 5.221 2.915 1.00 24.09 N ATOM 0 H ASN A 60 11.789 4.898 1.596 1.00 12.38 H new ATOM 0 HA ASN A 60 13.155 3.372 2.370 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.786 4.599 5.118 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.080 3.521 4.633 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.802 6.005 2.534 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.606 4.267 2.778 1.00 24.09 H new ATOM 962 N ILE A 61 10.823 1.987 2.711 1.00 11.08 N ATOM 963 CA ILE A 61 10.043 0.744 2.917 1.00 11.78 C ATOM 964 C ILE A 61 10.782 -0.435 2.300 1.00 13.74 C ATOM 965 O ILE A 61 11.053 -0.458 1.099 1.00 14.60 O ATOM 966 CB ILE A 61 8.677 0.834 2.194 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.878 1.941 2.908 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.943 -0.567 2.207 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.612 2.372 2.151 1.00 11.42 C ATOM 0 H ILE A 61 10.583 2.473 1.847 1.00 11.08 H new ATOM 0 HA ILE A 61 9.906 0.614 3.990 1.00 11.78 H new ATOM 0 HB ILE A 61 8.790 1.087 1.140 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.596 1.591 3.901 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.521 2.810 3.047 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.985 -0.481 1.694 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.562 -1.307 1.699 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.775 -0.880 3.237 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.101 3.154 2.713 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.888 2.753 1.168 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.948 1.515 2.035 1.00 11.42 H new ATOM 981 N GLN A 62 11.159 -1.404 3.131 1.00 13.97 N ATOM 982 CA GLN A 62 12.163 -2.328 2.844 1.00 15.52 C ATOM 983 C GLN A 62 11.622 -3.689 2.492 1.00 13.94 C ATOM 984 O GLN A 62 10.450 -3.979 2.730 1.00 12.15 O ATOM 985 CB GLN A 62 13.048 -2.482 4.072 1.00 19.53 C ATOM 986 CG GLN A 62 13.993 -1.327 4.392 1.00 26.38 C ATOM 987 CD GLN A 62 14.752 -1.667 5.741 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.541 -1.000 6.735 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.715 -2.639 5.704 1.00 32.71 N ATOM 0 H GLN A 62 10.735 -1.541 4.048 1.00 13.97 H new ATOM 0 HA GLN A 62 12.713 -1.950 1.982 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.404 -2.642 4.936 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.646 -3.385 3.948 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.706 -1.184 3.580 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.435 -0.396 4.494 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.863 -3.178 4.851 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.285 -2.824 6.529 1.00 32.71 H new ATOM 998 N LYS A 63 12.491 -4.442 1.908 1.00 11.73 N ATOM 999 CA LYS A 63 12.433 -5.901 1.788 1.00 11.97 C ATOM 1000 C LYS A 63 11.785 -6.534 3.015 1.00 10.41 C ATOM 1001 O LYS A 63 12.334 -6.578 4.102 1.00 9.59 O ATOM 1002 CB LYS A 63 13.842 -6.505 1.509 1.00 13.73 C ATOM 1003 CG LYS A 63 13.917 -8.054 1.657 1.00 16.98 C ATOM 1004 CD LYS A 63 15.155 -8.589 1.062 1.00 20.19 C ATOM 1005 CE LYS A 63 15.225 -10.126 1.114 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.248 -10.717 2.462 1.00 25.97 N ATOM 0 H LYS A 63 13.323 -4.052 1.466 1.00 11.73 H new ATOM 0 HA LYS A 63 11.803 -6.135 0.930 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.147 -6.233 0.498 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.560 -6.051 2.192 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.872 -8.323 2.712 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.052 -8.510 1.175 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.225 -8.261 0.025 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.015 -8.173 1.587 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.368 -10.529 0.575 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.118 -10.449 0.580 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.123 -11.266 2.585 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.211 -9.960 3.174 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.426 -11.344 2.580 1.00 25.97 H new ATOM 1020 N GLU A 64 10.584 -7.175 2.850 1.00 10.04 N ATOM 1021 CA GLU A 64 10.032 -7.988 3.879 1.00 10.94 C ATOM 1022 C GLU A 64 9.328 -7.131 4.931 1.00 9.74 C ATOM 1023 O GLU A 64 9.016 -7.564 6.029 1.00 9.42 O ATOM 1024 CB GLU A 64 10.885 -9.116 4.342 1.00 18.31 C ATOM 1025 CG GLU A 64 10.918 -10.274 3.310 1.00 24.16 C ATOM 1026 CD GLU A 64 11.835 -11.375 3.681 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.560 -12.091 4.712 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.836 -11.577 2.950 1.00 31.72 O ATOM 0 H GLU A 64 10.016 -7.118 2.004 1.00 10.04 H new ATOM 0 HA GLU A 64 9.233 -8.585 3.438 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.899 -8.757 4.518 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.509 -9.489 5.295 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.911 -10.675 3.195 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.216 -9.876 2.340 1.00 24.16 H new ATOM 1035 N SER A 65 8.900 -5.976 4.508 1.00 6.85 N ATOM 1036 CA SER A 65 8.169 -5.116 5.409 1.00 6.90 C ATOM 1037 C SER A 65 6.727 -5.509 5.468 1.00 4.72 C ATOM 1038 O SER A 65 6.116 -5.998 4.529 1.00 3.91 O ATOM 1039 CB SER A 65 8.138 -3.624 4.916 1.00 7.28 C ATOM 1040 OG SER A 65 9.385 -2.975 4.984 1.00 10.56 O ATOM 0 H SER A 65 9.038 -5.609 3.566 1.00 6.85 H new ATOM 0 HA SER A 65 8.679 -5.213 6.368 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.782 -3.599 3.886 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.417 -3.068 5.516 1.00 7.28 H new ATOM 0 HG SER A 65 9.971 -3.317 4.277 1.00 10.56 H new ATOM 1046 N THR A 66 6.102 -5.296 6.627 1.00 4.48 N ATOM 1047 CA THR A 66 4.636 -5.243 6.737 1.00 3.80 C ATOM 1048 C THR A 66 4.060 -3.879 6.688 1.00 4.60 C ATOM 1049 O THR A 66 4.519 -2.973 7.364 1.00 5.33 O ATOM 1050 CB THR A 66 3.991 -5.897 7.994 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.420 -7.279 8.007 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.454 -5.879 7.905 1.00 3.40 C ATOM 0 H THR A 66 6.590 -5.156 7.512 1.00 4.48 H new ATOM 0 HA THR A 66 4.391 -5.831 5.852 1.00 3.80 H new ATOM 0 HB THR A 66 4.291 -5.351 8.888 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.037 -7.733 8.787 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.032 -6.342 8.797 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.106 -4.849 7.832 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.134 -6.433 7.023 1.00 3.40 H new ATOM 1060 N LEU A 67 3.121 -3.606 5.762 1.00 4.17 N ATOM 1061 CA LEU A 67 2.372 -2.359 5.661 1.00 3.85 C ATOM 1062 C LEU A 67 0.949 -2.668 6.050 1.00 3.80 C ATOM 1063 O LEU A 67 0.576 -3.809 6.266 1.00 5.54 O ATOM 1064 CB LEU A 67 2.347 -1.827 4.233 1.00 7.18 C ATOM 1065 CG LEU A 67 3.753 -1.410 3.718 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.576 -2.582 3.156 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.738 -0.278 2.634 1.00 11.66 C ATOM 0 H LEU A 67 2.861 -4.279 5.041 1.00 4.17 H new ATOM 0 HA LEU A 67 2.841 -1.612 6.301 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.936 -2.591 3.573 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.678 -0.968 4.182 1.00 7.18 H new ATOM 0 HG LEU A 67 4.226 -1.026 4.622 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.545 -2.216 2.816 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.724 -3.329 3.935 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.043 -3.032 2.318 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.760 -0.050 2.332 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.169 -0.612 1.766 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.274 0.617 3.049 1.00 11.66 H new ATOM 1079 N HIS A 68 0.052 -1.683 6.234 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.336 -1.833 6.527 1.00 4.17 C ATOM 1081 C HIS A 68 -2.108 -1.234 5.421 1.00 5.32 C ATOM 1082 O HIS A 68 -1.629 -0.310 4.730 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.694 -1.176 7.860 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.522 -2.165 8.957 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.534 -3.063 9.240 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.563 -2.498 9.818 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -2.169 -3.794 10.279 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.968 -3.465 10.702 1.00 16.30 N ATOM 0 H HIS A 68 0.324 -0.702 6.172 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.579 -2.892 6.620 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.057 -0.309 8.034 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.723 -0.817 7.837 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.423 -2.057 9.820 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.780 -4.565 10.725 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.457 -3.841 11.501 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.316 -1.702 5.165 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.204 -1.074 4.224 1.00 3.97 C ATOM 1098 C LEU A 69 -5.429 -0.900 5.105 1.00 5.07 C ATOM 1099 O LEU A 69 -5.914 -1.912 5.695 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.462 -2.034 3.016 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.853 -1.927 2.315 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.100 -0.716 1.447 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.001 -3.168 1.441 1.00 9.96 C ATOM 0 H LEU A 69 -3.704 -2.534 5.610 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.854 -0.148 3.767 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.690 -1.853 2.268 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.335 -3.059 3.364 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.580 -1.834 3.121 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.103 -0.770 1.024 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.009 0.188 2.049 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.367 -0.690 0.641 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.962 -3.139 0.928 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.197 -3.193 0.705 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.949 -4.060 2.065 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.997 0.336 5.222 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.374 0.667 5.633 1.00 6.26 C ATOM 1117 C VAL A 70 -8.122 1.323 4.504 1.00 9.22 C ATOM 1118 O VAL A 70 -7.657 1.429 3.398 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.380 1.346 7.029 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.720 0.517 8.144 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.740 2.709 6.923 1.00 8.54 C ATOM 0 H VAL A 70 -5.459 1.177 5.015 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.971 -0.227 5.812 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.425 1.435 7.327 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.769 1.067 9.084 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.245 -0.432 8.251 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.677 0.328 7.888 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.742 3.189 7.902 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.713 2.603 6.573 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.302 3.321 6.217 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.326 1.802 4.822 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.150 2.356 3.767 1.00 16.06 C ATOM 1133 C LEU A 71 -10.502 3.818 3.975 1.00 18.09 C ATOM 1134 O LEU A 71 -10.747 4.362 5.076 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.431 1.531 3.633 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.002 0.060 3.363 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.154 -0.939 3.384 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.252 -0.071 2.014 1.00 19.57 C ATOM 0 H LEU A 71 -9.731 1.816 5.758 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.561 2.307 2.851 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.029 1.597 4.542 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.048 1.908 2.818 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.339 -0.189 4.191 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.771 -1.940 3.187 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.634 -0.920 4.362 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.881 -0.672 2.617 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.966 -1.111 1.856 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.903 0.254 1.203 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.358 0.552 2.033 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.379 4.658 2.906 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.355 6.116 2.759 1.00 25.83 C ATOM 1152 C ARG A 72 -11.509 6.832 3.445 1.00 27.74 C ATOM 1153 O ARG A 72 -12.668 6.419 3.270 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.248 6.574 1.247 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.233 8.102 1.012 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.394 8.500 -0.215 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.344 9.936 -0.275 1.00 35.08 N ATOM 1158 CZ ARG A 72 -8.705 10.667 -1.127 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.033 10.101 -2.141 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.753 11.995 -1.028 1.00 35.02 N ATOM 0 H ARG A 72 -10.279 4.237 1.983 1.00 21.47 H new ATOM 0 HA ARG A 72 -9.445 6.418 3.278 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.339 6.150 0.821 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.087 6.148 0.697 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.255 8.456 0.880 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.835 8.599 1.897 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.388 8.087 -0.139 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.836 8.096 -1.126 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.875 10.436 0.438 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.024 9.086 -2.243 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.531 10.686 -2.809 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.293 12.432 -0.281 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.249 12.575 -1.699 1.00 35.02 H new ATOM 1174 N LEU A 73 -11.254 7.915 4.194 1.00 28.93 N ATOM 1175 CA LEU A 73 -12.262 8.635 4.990 1.00 30.76 C ATOM 1176 C LEU A 73 -12.332 10.087 4.532 1.00 32.18 C ATOM 1177 O LEU A 73 -11.324 10.782 4.419 1.00 32.31 O ATOM 1178 CB LEU A 73 -11.987 8.598 6.530 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.064 9.077 7.523 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.276 8.113 7.734 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -12.361 9.336 8.872 1.00 29.11 C ATOM 0 H LEU A 73 -10.322 8.324 4.266 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.210 8.123 4.824 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -11.744 7.568 6.790 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -11.092 9.193 6.713 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.511 9.973 7.093 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.969 8.552 8.452 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.787 7.958 6.784 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -13.918 7.156 8.114 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -13.093 9.678 9.604 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -11.899 8.414 9.224 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -11.594 10.100 8.742 1.00 29.11 H new ATOM 1193 N ARG A 74 -13.527 10.611 4.289 1.00 33.82 N ATOM 1194 CA ARG A 74 -13.712 11.913 3.752 1.00 35.33 C ATOM 1195 C ARG A 74 -13.841 12.978 4.794 1.00 36.22 C ATOM 1196 O ARG A 74 -14.112 14.065 4.402 1.00 36.70 O ATOM 1197 CB ARG A 74 -14.967 11.912 2.752 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.817 10.947 1.639 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.704 11.250 0.612 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.526 10.063 -0.268 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.814 9.962 -1.413 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.412 11.029 -2.086 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.511 8.725 -1.993 1.00 41.93 N ATOM 0 H ARG A 74 -14.400 10.116 4.471 1.00 33.82 H new ATOM 0 HA ARG A 74 -12.807 12.164 3.198 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.871 11.675 3.312 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.099 12.913 2.342 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.630 9.961 2.065 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.766 10.889 1.107 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -13.968 12.124 0.017 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -12.771 11.483 1.125 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.004 9.214 0.032 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.638 11.963 -1.744 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -11.876 10.917 -2.947 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -12.830 7.863 -1.551 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.972 8.686 -2.858 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.660 12.615 6.053 1.00 36.31 N ATOM 1218 CA GLY A 75 -13.664 13.596 7.120 1.00 36.07 C ATOM 1219 C GLY A 75 -12.290 13.643 7.795 1.00 36.16 C ATOM 1220 O GLY A 75 -12.008 14.592 8.510 1.00 36.26 O ATOM 0 H GLY A 75 -13.509 11.653 6.358 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.916 14.578 6.721 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -14.430 13.344 7.853 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.423 12.590 7.603 1.00 36.05 N ATOM 1225 CA GLY A 76 -10.124 12.668 8.192 1.00 36.19 C ATOM 1226 C GLY A 76 -9.204 11.724 7.504 1.00 36.20 C ATOM 1227 O GLY A 76 -8.712 10.757 8.144 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.080 11.859 6.240 1.00 0.00 O ATOM 0 H GLY A 76 -11.623 11.743 7.070 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -9.740 13.685 8.116 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -10.180 12.427 9.254 1.00 36.19 H new TER 1232 GLY A 76