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 55 THR OG1 : rot 128:sc= 0.754 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.548 USER MOD Set 2.1: A 22 THR OG1 : rot -119:sc= 0.999 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.14 K(o=2.1,f=0.21) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 176:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 1 USER MOD Single : A 1 MET CE :methyl -174:sc= -0.11 (180deg=-0.119) USER MOD Single : A 1 MET N :NH3+ -150:sc= 2.54 (180deg=2.4) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 120:sc= 1.39 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.32 (180deg=1.23) 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+ -177:sc= 1.71 (180deg=1.58) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.61) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.0655 (180deg=-0.805) USER MOD Single : A 40 GLN : amide:sc= 0.575 K(o=0.57,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= 0.551 K(o=0.55,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.383 K(o=-0.38,f=-2.1!) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.235 USER MOD Single : A 60 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.053) USER MOD Single : A 62 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.013) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -143:sc= 0.0501 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=-0.049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.123 -7.682 -5.284 1.00 9.67 N ATOM 2 CA MET A 1 11.156 -7.579 -3.818 1.00 10.38 C ATOM 3 C MET A 1 9.780 -7.940 -3.238 1.00 9.62 C ATOM 4 O MET A 1 8.704 -7.640 -3.783 1.00 9.62 O ATOM 5 CB MET A 1 11.541 -6.151 -3.315 1.00 13.77 C ATOM 6 CG MET A 1 11.698 -5.912 -1.787 1.00 16.29 C ATOM 7 SD MET A 1 12.410 -4.325 -1.450 1.00 17.17 S ATOM 8 CE MET A 1 10.814 -3.423 -1.178 1.00 16.11 C ATOM 0 H1 MET A 1 12.067 -7.943 -5.635 1.00 9.67 H new ATOM 0 H2 MET A 1 10.436 -8.410 -5.565 1.00 9.67 H new ATOM 0 H3 MET A 1 10.843 -6.766 -5.690 1.00 9.67 H new ATOM 0 HA MET A 1 11.923 -8.275 -3.478 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.483 -5.876 -3.790 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.785 -5.457 -3.682 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.724 -5.985 -1.304 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.326 -6.693 -1.358 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.014 -2.359 -1.051 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.162 -3.569 -2.039 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.326 -3.809 -0.283 1.00 16.11 H new ATOM 20 N GLN A 2 9.745 -8.658 -2.126 1.00 9.27 N ATOM 21 CA GLN A 2 8.485 -8.969 -1.543 1.00 9.07 C ATOM 22 C GLN A 2 8.237 -8.213 -0.281 1.00 8.72 C ATOM 23 O GLN A 2 9.154 -7.863 0.403 1.00 8.22 O ATOM 24 CB GLN A 2 8.279 -10.490 -1.333 1.00 14.46 C ATOM 25 CG GLN A 2 9.214 -11.137 -0.277 1.00 17.01 C ATOM 26 CD GLN A 2 9.599 -12.592 -0.513 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.324 -13.476 0.313 1.00 21.89 O ATOM 28 NE2 GLN A 2 10.238 -12.937 -1.694 1.00 19.49 N ATOM 0 H GLN A 2 10.561 -9.020 -1.633 1.00 9.27 H new ATOM 0 HA GLN A 2 7.740 -8.643 -2.269 1.00 9.07 H new ATOM 0 HB2 GLN A 2 7.245 -10.664 -1.036 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.427 -10.997 -2.287 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.128 -10.546 -0.223 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.730 -11.065 0.697 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.468 -12.217 -2.379 1.00 19.49 H new ATOM 0 HE22 GLN A 2 10.478 -13.911 -1.878 1.00 19.49 H new ATOM 37 N ILE A 3 6.986 -7.825 -0.043 1.00 5.87 N ATOM 38 CA ILE A 3 6.574 -7.043 1.074 1.00 5.07 C ATOM 39 C ILE A 3 5.213 -7.523 1.455 1.00 4.01 C ATOM 40 O ILE A 3 4.544 -8.228 0.691 1.00 4.61 O ATOM 41 CB ILE A 3 6.493 -5.544 0.809 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.774 -5.190 -0.510 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.945 -4.918 0.783 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.419 -3.740 -0.621 1.00 10.83 C ATOM 0 H ILE A 3 6.213 -8.068 -0.663 1.00 5.87 H new ATOM 0 HA ILE A 3 7.324 -7.168 1.855 1.00 5.07 H new ATOM 0 HB ILE A 3 5.902 -5.125 1.624 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.413 -5.466 -1.349 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.865 -5.787 -0.592 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.876 -3.847 0.593 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.431 -5.086 1.744 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.530 -5.390 -0.006 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.917 -3.560 -1.571 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.755 -3.464 0.198 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.327 -3.138 -0.571 1.00 10.83 H new ATOM 56 N PHE A 4 4.778 -7.235 2.713 1.00 4.55 N ATOM 57 CA PHE A 4 3.492 -7.780 3.236 1.00 4.68 C ATOM 58 C PHE A 4 2.542 -6.558 3.342 1.00 5.30 C ATOM 59 O PHE A 4 2.991 -5.441 3.726 1.00 5.58 O ATOM 60 CB PHE A 4 3.653 -8.355 4.628 1.00 4.83 C ATOM 61 CG PHE A 4 4.669 -9.480 4.688 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.291 -10.727 4.099 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.911 -9.331 5.194 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.318 -11.676 3.941 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.842 -10.369 5.258 1.00 10.61 C ATOM 66 CZ PHE A 4 6.589 -11.539 4.591 1.00 8.90 C ATOM 0 H PHE A 4 5.285 -6.643 3.371 1.00 4.55 H new ATOM 0 HA PHE A 4 3.127 -8.573 2.583 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.957 -7.561 5.311 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.689 -8.724 4.977 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.275 -10.929 3.793 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.199 -8.360 5.568 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.143 -12.535 3.310 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.752 -10.251 5.827 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.322 -12.331 4.556 1.00 8.90 H new ATOM 76 N VAL A 5 1.223 -6.704 2.997 1.00 4.44 N ATOM 77 CA VAL A 5 0.290 -5.707 3.300 1.00 3.87 C ATOM 78 C VAL A 5 -0.693 -6.386 4.232 1.00 4.93 C ATOM 79 O VAL A 5 -1.251 -7.434 3.815 1.00 6.84 O ATOM 80 CB VAL A 5 -0.386 -5.139 2.051 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.353 -4.014 2.439 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.683 -4.570 1.097 1.00 9.13 C ATOM 0 H VAL A 5 0.840 -7.517 2.514 1.00 4.44 H new ATOM 0 HA VAL A 5 0.757 -4.837 3.761 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.938 -5.939 1.558 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.828 -3.617 1.542 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.116 -4.406 3.111 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.803 -3.218 2.940 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.199 -4.166 0.208 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.236 -3.777 1.601 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.371 -5.364 0.806 1.00 9.13 H new ATOM 92 N LYS A 6 -0.992 -5.894 5.447 1.00 6.04 N ATOM 93 CA LYS A 6 -1.912 -6.431 6.425 1.00 6.12 C ATOM 94 C LYS A 6 -3.139 -5.605 6.489 1.00 6.57 C ATOM 95 O LYS A 6 -3.177 -4.485 5.986 1.00 5.76 O ATOM 96 CB LYS A 6 -1.274 -6.648 7.778 1.00 7.45 C ATOM 97 CG LYS A 6 -0.373 -7.959 7.723 1.00 11.12 C ATOM 98 CD LYS A 6 0.305 -8.135 9.026 1.00 14.54 C ATOM 99 CE LYS A 6 1.225 -9.361 9.113 1.00 18.84 C ATOM 100 NZ LYS A 6 0.509 -10.686 9.161 1.00 20.55 N ATOM 0 H LYS A 6 -0.551 -5.038 5.784 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.203 -7.427 6.093 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.666 -5.785 8.050 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.042 -6.751 8.544 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.989 -8.830 7.499 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.364 -7.876 6.924 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.893 -7.242 9.237 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.452 -8.210 9.806 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.895 -9.357 8.253 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.848 -9.268 10.003 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.206 -11.458 9.150 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.058 -10.743 10.031 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.116 -10.773 8.334 1.00 20.55 H new ATOM 114 N THR A 7 -4.327 -6.109 7.044 1.00 7.41 N ATOM 115 CA THR A 7 -5.522 -5.254 7.312 1.00 7.48 C ATOM 116 C THR A 7 -6.431 -5.990 8.232 1.00 8.75 C ATOM 117 O THR A 7 -6.217 -7.190 8.595 1.00 8.58 O ATOM 118 CB THR A 7 -6.299 -4.719 6.056 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.303 -3.796 6.393 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.924 -5.831 5.183 1.00 9.17 C ATOM 0 H THR A 7 -4.455 -7.088 7.301 1.00 7.41 H new ATOM 0 HA THR A 7 -5.138 -4.340 7.766 1.00 7.48 H new ATOM 0 HB THR A 7 -5.527 -4.221 5.469 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.122 -2.940 5.952 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.443 -5.381 4.337 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.138 -6.492 4.817 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.633 -6.406 5.779 1.00 9.17 H new ATOM 128 N LEU A 8 -7.434 -5.266 8.780 1.00 9.84 N ATOM 129 CA LEU A 8 -8.254 -5.661 9.921 1.00 14.15 C ATOM 130 C LEU A 8 -8.915 -6.983 9.936 1.00 17.37 C ATOM 131 O LEU A 8 -9.043 -7.539 10.996 1.00 17.01 O ATOM 132 CB LEU A 8 -9.494 -4.629 10.047 1.00 16.63 C ATOM 133 CG LEU A 8 -9.074 -3.156 10.279 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.353 -2.266 10.456 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.247 -3.007 11.538 1.00 18.59 C ATOM 0 H LEU A 8 -7.696 -4.351 8.413 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.508 -5.677 10.715 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.093 -4.685 9.138 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.134 -4.946 10.870 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.486 -2.846 9.415 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.056 -1.230 10.619 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.968 -2.330 9.558 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.926 -2.618 11.314 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.970 -1.961 11.670 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.830 -3.339 12.397 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.345 -3.614 11.455 1.00 18.59 H new ATOM 147 N THR A 9 -9.381 -7.521 8.756 1.00 18.33 N ATOM 148 CA THR A 9 -10.369 -8.629 8.646 1.00 19.24 C ATOM 149 C THR A 9 -9.703 -9.997 8.780 1.00 19.48 C ATOM 150 O THR A 9 -10.136 -11.016 8.302 1.00 23.14 O ATOM 151 CB THR A 9 -11.221 -8.575 7.385 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.354 -8.554 6.204 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.090 -7.296 7.364 1.00 19.70 C ATOM 0 H THR A 9 -9.068 -7.183 7.846 1.00 18.33 H new ATOM 0 HA THR A 9 -11.049 -8.483 9.485 1.00 19.24 H new ATOM 0 HB THR A 9 -11.864 -9.455 7.376 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.905 -8.521 5.394 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.690 -7.279 6.454 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.748 -7.289 8.233 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.445 -6.418 7.390 1.00 19.70 H new ATOM 161 N GLY A 10 -8.512 -10.074 9.419 1.00 19.43 N ATOM 162 CA GLY A 10 -7.742 -11.307 9.507 1.00 18.74 C ATOM 163 C GLY A 10 -6.893 -11.613 8.270 1.00 17.62 C ATOM 164 O GLY A 10 -6.738 -12.749 7.853 1.00 19.74 O ATOM 0 H GLY A 10 -8.072 -9.279 9.882 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.088 -11.251 10.377 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.427 -12.138 9.677 1.00 18.74 H new ATOM 168 N LYS A 11 -6.487 -10.554 7.644 1.00 13.56 N ATOM 169 CA LYS A 11 -5.991 -10.509 6.323 1.00 11.91 C ATOM 170 C LYS A 11 -4.527 -10.131 6.350 1.00 10.18 C ATOM 171 O LYS A 11 -4.109 -9.129 6.926 1.00 9.10 O ATOM 172 CB LYS A 11 -6.815 -9.521 5.557 1.00 13.43 C ATOM 173 CG LYS A 11 -6.584 -9.683 4.084 1.00 16.69 C ATOM 174 CD LYS A 11 -7.727 -9.075 3.249 1.00 17.92 C ATOM 175 CE LYS A 11 -7.482 -9.277 1.691 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.520 -8.579 0.926 1.00 21.93 N ATOM 0 H LYS A 11 -6.498 -9.634 8.085 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.065 -11.480 5.834 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.871 -9.664 5.784 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.557 -8.507 5.863 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.642 -9.207 3.810 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.486 -10.742 3.847 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.672 -9.538 3.533 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.814 -8.011 3.470 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.498 -8.896 1.417 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.492 -10.339 1.448 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.556 -8.962 -0.040 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.442 -8.715 1.387 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.299 -7.563 0.887 1.00 21.93 H new ATOM 190 N THR A 12 -3.716 -10.973 5.709 1.00 9.63 N ATOM 191 CA THR A 12 -2.409 -10.664 5.150 1.00 9.85 C ATOM 192 C THR A 12 -2.221 -10.986 3.646 1.00 11.66 C ATOM 193 O THR A 12 -2.697 -12.057 3.135 1.00 12.33 O ATOM 194 CB THR A 12 -1.256 -11.411 5.911 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.516 -11.322 7.351 1.00 10.91 O ATOM 196 CG2 THR A 12 0.087 -10.681 5.587 1.00 9.63 C ATOM 0 H THR A 12 -3.975 -11.948 5.560 1.00 9.63 H new ATOM 0 HA THR A 12 -2.357 -9.582 5.273 1.00 9.85 H new ATOM 0 HB THR A 12 -1.202 -12.457 5.608 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.297 -12.177 7.776 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.906 -11.180 6.104 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.266 -10.708 4.512 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.027 -9.644 5.919 1.00 9.63 H new ATOM 204 N ILE A 13 -1.609 -10.115 2.803 1.00 10.42 N ATOM 205 CA ILE A 13 -1.298 -10.492 1.417 1.00 11.84 C ATOM 206 C ILE A 13 0.146 -10.188 1.139 1.00 10.55 C ATOM 207 O ILE A 13 0.635 -9.214 1.649 1.00 11.92 O ATOM 208 CB ILE A 13 -2.135 -9.737 0.335 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.999 -8.243 0.275 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.575 -10.123 0.771 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.064 -7.559 -0.536 1.00 16.46 C ATOM 0 H ILE A 13 -1.330 -9.168 3.060 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.539 -11.552 1.343 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.812 -10.020 -0.667 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.020 -7.846 1.290 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.024 -7.995 -0.144 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.296 -9.661 0.096 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.688 -11.207 0.736 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.754 -9.772 1.788 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.892 -6.483 -0.528 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.030 -7.924 -1.562 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.043 -7.774 -0.106 1.00 16.46 H new ATOM 223 N THR A 14 0.815 -10.894 0.165 1.00 9.39 N ATOM 224 CA THR A 14 2.222 -10.664 -0.038 1.00 9.63 C ATOM 225 C THR A 14 2.394 -10.057 -1.411 1.00 11.20 C ATOM 226 O THR A 14 2.032 -10.767 -2.346 1.00 11.63 O ATOM 227 CB THR A 14 3.014 -12.006 -0.032 1.00 10.38 C ATOM 228 OG1 THR A 14 2.578 -12.769 1.060 1.00 16.30 O ATOM 229 CG2 THR A 14 4.560 -11.715 0.151 1.00 11.66 C ATOM 0 H THR A 14 0.392 -11.590 -0.449 1.00 9.39 H new ATOM 0 HA THR A 14 2.592 -10.018 0.758 1.00 9.63 H new ATOM 0 HB THR A 14 2.849 -12.534 -0.971 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.064 -13.620 1.080 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.109 -12.656 0.155 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.913 -11.092 -0.671 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.723 -11.196 1.096 1.00 11.66 H new ATOM 237 N LEU A 15 2.922 -8.842 -1.603 1.00 8.29 N ATOM 238 CA LEU A 15 2.966 -8.253 -2.979 1.00 9.03 C ATOM 239 C LEU A 15 4.428 -8.470 -3.503 1.00 8.59 C ATOM 240 O LEU A 15 5.291 -8.911 -2.687 1.00 7.79 O ATOM 241 CB LEU A 15 2.606 -6.763 -3.112 1.00 11.08 C ATOM 242 CG LEU A 15 1.250 -6.375 -2.529 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.037 -4.915 -2.745 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.072 -7.148 -3.095 1.00 15.27 C ATOM 0 H LEU A 15 3.314 -8.255 -0.867 1.00 8.29 H new ATOM 0 HA LEU A 15 2.192 -8.759 -3.556 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.379 -6.172 -2.620 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.622 -6.493 -4.168 1.00 11.08 H new ATOM 0 HG LEU A 15 1.286 -6.629 -1.470 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.071 -4.623 -2.333 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.828 -4.354 -2.247 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.056 -4.699 -3.813 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.849 -6.805 -2.623 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.011 -6.983 -4.171 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.207 -8.212 -2.898 1.00 15.27 H new ATOM 256 N GLU A 16 4.693 -8.371 -4.799 1.00 11.04 N ATOM 257 CA GLU A 16 5.982 -8.333 -5.419 1.00 11.50 C ATOM 258 C GLU A 16 6.173 -6.970 -6.031 1.00 10.13 C ATOM 259 O GLU A 16 5.442 -6.578 -6.983 1.00 9.83 O ATOM 260 CB GLU A 16 6.243 -9.413 -6.473 1.00 17.22 C ATOM 261 CG GLU A 16 7.691 -9.386 -7.069 1.00 23.33 C ATOM 262 CD GLU A 16 8.613 -10.118 -6.149 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.183 -10.999 -5.371 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.879 -9.925 -6.262 1.00 28.90 O ATOM 0 H GLU A 16 3.942 -8.311 -5.486 1.00 11.04 H new ATOM 0 HA GLU A 16 6.704 -8.540 -4.629 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.063 -10.391 -6.028 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.525 -9.295 -7.285 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.700 -9.848 -8.056 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.026 -8.357 -7.196 1.00 23.33 H new ATOM 271 N VAL A 17 7.255 -6.239 -5.647 1.00 8.99 N ATOM 272 CA VAL A 17 7.474 -4.884 -6.057 1.00 8.85 C ATOM 273 C VAL A 17 8.949 -4.600 -6.302 1.00 8.04 C ATOM 274 O VAL A 17 9.810 -5.465 -6.018 1.00 8.99 O ATOM 275 CB VAL A 17 7.167 -3.857 -4.978 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.663 -4.039 -4.581 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.035 -4.121 -3.740 1.00 10.54 C ATOM 0 H VAL A 17 7.987 -6.606 -5.039 1.00 8.99 H new ATOM 0 HA VAL A 17 6.830 -4.796 -6.932 1.00 8.85 H new ATOM 0 HB VAL A 17 7.369 -2.850 -5.344 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.401 -3.318 -3.806 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.033 -3.876 -5.456 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.506 -5.050 -4.204 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.809 -3.381 -2.972 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.826 -5.119 -3.355 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.088 -4.051 -4.012 1.00 10.54 H new ATOM 287 N GLU A 18 9.284 -3.467 -6.941 1.00 7.29 N ATOM 288 CA GLU A 18 10.550 -2.960 -7.197 1.00 7.08 C ATOM 289 C GLU A 18 10.722 -1.746 -6.282 1.00 6.45 C ATOM 290 O GLU A 18 9.733 -1.056 -5.920 1.00 5.28 O ATOM 291 CB GLU A 18 10.716 -2.415 -8.678 1.00 10.28 C ATOM 292 CG GLU A 18 10.770 -3.603 -9.691 1.00 12.65 C ATOM 293 CD GLU A 18 12.058 -4.370 -9.603 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.054 -3.838 -10.254 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.132 -5.445 -8.951 1.00 14.33 O ATOM 0 H GLU A 18 8.560 -2.852 -7.312 1.00 7.29 H new ATOM 0 HA GLU A 18 11.272 -3.761 -7.040 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.884 -1.755 -8.925 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.627 -1.822 -8.754 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.935 -4.277 -9.501 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.647 -3.220 -10.704 1.00 12.65 H new ATOM 302 N PRO A 19 11.914 -1.292 -5.839 1.00 7.24 N ATOM 303 CA PRO A 19 11.998 -0.166 -4.890 1.00 7.07 C ATOM 304 C PRO A 19 11.534 1.140 -5.529 1.00 6.65 C ATOM 305 O PRO A 19 11.163 2.123 -4.867 1.00 6.37 O ATOM 306 CB PRO A 19 13.427 -0.167 -4.495 1.00 7.61 C ATOM 307 CG PRO A 19 14.193 -0.876 -5.617 1.00 8.16 C ATOM 308 CD PRO A 19 13.192 -1.840 -6.309 1.00 7.49 C ATOM 0 HA PRO A 19 11.342 -0.266 -4.025 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.792 0.851 -4.360 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.566 -0.683 -3.545 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.589 -0.153 -6.331 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.044 -1.426 -5.215 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.278 -1.815 -7.395 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.336 -2.876 -6.001 1.00 7.49 H new ATOM 316 N SER A 20 11.574 1.127 -6.892 1.00 6.80 N ATOM 317 CA SER A 20 11.233 2.285 -7.726 1.00 6.28 C ATOM 318 C SER A 20 9.726 2.446 -8.047 1.00 8.45 C ATOM 319 O SER A 20 9.298 3.421 -8.677 1.00 7.26 O ATOM 320 CB SER A 20 11.908 2.244 -9.137 1.00 8.57 C ATOM 321 OG SER A 20 11.925 0.958 -9.739 1.00 11.13 O ATOM 0 H SER A 20 11.846 0.305 -7.431 1.00 6.80 H new ATOM 0 HA SER A 20 11.589 3.105 -7.103 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.384 2.935 -9.798 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.933 2.604 -9.047 1.00 8.57 H new ATOM 0 HG SER A 20 12.360 1.013 -10.616 1.00 11.13 H new ATOM 327 N ASP A 21 8.896 1.478 -7.569 1.00 7.50 N ATOM 328 CA ASP A 21 7.427 1.523 -7.775 1.00 7.70 C ATOM 329 C ASP A 21 6.920 2.566 -6.849 1.00 7.08 C ATOM 330 O ASP A 21 7.388 2.866 -5.750 1.00 8.11 O ATOM 331 CB ASP A 21 6.650 0.228 -7.635 1.00 11.00 C ATOM 332 CG ASP A 21 6.994 -0.804 -8.716 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.163 -0.372 -9.865 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.111 -1.991 -8.388 1.00 14.36 O ATOM 0 H ASP A 21 9.219 0.666 -7.044 1.00 7.50 H new ATOM 0 HA ASP A 21 7.260 1.746 -8.829 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.849 -0.203 -6.654 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.583 0.446 -7.677 1.00 11.00 H new ATOM 339 N THR A 22 5.916 3.265 -7.279 1.00 5.37 N ATOM 340 CA THR A 22 5.321 4.369 -6.495 1.00 6.01 C ATOM 341 C THR A 22 4.149 3.791 -5.698 1.00 8.01 C ATOM 342 O THR A 22 3.675 2.682 -5.945 1.00 8.11 O ATOM 343 CB THR A 22 4.784 5.553 -7.339 1.00 8.92 C ATOM 344 OG1 THR A 22 3.856 5.151 -8.333 1.00 10.22 O ATOM 345 CG2 THR A 22 5.891 6.242 -8.104 1.00 9.65 C ATOM 0 H THR A 22 5.466 3.108 -8.181 1.00 5.37 H new ATOM 0 HA THR A 22 6.119 4.774 -5.872 1.00 6.01 H new ATOM 0 HB THR A 22 4.314 6.208 -6.605 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.203 5.386 -9.219 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.475 7.066 -8.683 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.631 6.628 -7.404 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.366 5.529 -8.778 1.00 9.65 H new ATOM 353 N ILE A 23 3.678 4.539 -4.651 1.00 8.32 N ATOM 354 CA ILE A 23 2.640 4.080 -3.801 1.00 9.92 C ATOM 355 C ILE A 23 1.358 3.748 -4.560 1.00 10.01 C ATOM 356 O ILE A 23 0.701 2.720 -4.268 1.00 8.71 O ATOM 357 CB ILE A 23 2.410 5.024 -2.668 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.737 5.117 -1.778 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.110 4.887 -1.838 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.131 3.830 -0.960 1.00 12.30 C ATOM 0 H ILE A 23 4.034 5.464 -4.412 1.00 8.32 H new ATOM 0 HA ILE A 23 2.975 3.137 -3.370 1.00 9.92 H new ATOM 0 HB ILE A 23 2.203 5.980 -3.148 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.570 5.372 -2.434 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.619 5.943 -1.077 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.096 5.645 -1.055 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.247 5.022 -2.489 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.071 3.897 -1.384 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.046 4.021 -0.400 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.327 3.579 -0.268 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.292 2.998 -1.646 1.00 12.30 H new ATOM 372 N GLU A 24 0.908 4.593 -5.557 1.00 9.54 N ATOM 373 CA GLU A 24 -0.237 4.262 -6.479 1.00 11.81 C ATOM 374 C GLU A 24 -0.192 2.927 -7.177 1.00 11.14 C ATOM 375 O GLU A 24 -1.217 2.244 -7.364 1.00 10.62 O ATOM 376 CB GLU A 24 -0.245 5.316 -7.606 1.00 19.24 C ATOM 377 CG GLU A 24 -1.555 5.268 -8.445 1.00 27.76 C ATOM 378 CD GLU A 24 -2.100 6.571 -9.093 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.348 7.516 -8.315 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.279 6.512 -10.337 1.00 34.80 O ATOM 0 H GLU A 24 1.324 5.507 -5.738 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.112 4.243 -5.830 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.129 6.310 -7.173 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.611 5.152 -8.261 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.403 4.544 -9.246 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.340 4.871 -7.801 1.00 27.76 H new ATOM 387 N ASN A 25 0.982 2.513 -7.627 1.00 9.43 N ATOM 388 CA ASN A 25 1.239 1.331 -8.426 1.00 10.96 C ATOM 389 C ASN A 25 1.218 0.052 -7.494 1.00 9.68 C ATOM 390 O ASN A 25 0.876 -1.057 -7.901 1.00 9.33 O ATOM 391 CB ASN A 25 2.573 1.388 -9.106 1.00 16.78 C ATOM 392 CG ASN A 25 2.452 2.235 -10.358 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.029 1.616 -11.363 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.870 3.489 -10.301 1.00 24.70 N ATOM 0 H ASN A 25 1.838 3.032 -7.428 1.00 9.43 H new ATOM 0 HA ASN A 25 0.462 1.281 -9.188 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.320 1.812 -8.435 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.909 0.383 -9.362 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.870 4.065 -11.142 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.193 3.879 -9.416 1.00 24.70 H new ATOM 401 N VAL A 26 1.527 0.238 -6.198 1.00 6.52 N ATOM 402 CA VAL A 26 1.261 -0.684 -5.152 1.00 5.53 C ATOM 403 C VAL A 26 -0.247 -0.844 -4.893 1.00 4.42 C ATOM 404 O VAL A 26 -0.826 -1.947 -4.789 1.00 3.40 O ATOM 405 CB VAL A 26 1.981 -0.300 -3.850 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.789 -1.259 -2.751 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.493 -0.256 -4.118 1.00 8.12 C ATOM 0 H VAL A 26 1.990 1.085 -5.868 1.00 6.52 H new ATOM 0 HA VAL A 26 1.652 -1.644 -5.489 1.00 5.53 H new ATOM 0 HB VAL A 26 1.558 0.658 -3.548 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.329 -0.915 -1.869 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.727 -1.338 -2.518 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.168 -2.236 -3.050 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.017 0.016 -3.202 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.832 -1.236 -4.453 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.704 0.484 -4.890 1.00 8.12 H new ATOM 417 N LYS A 27 -1.049 0.224 -4.787 1.00 2.64 N ATOM 418 CA LYS A 27 -2.455 0.185 -4.869 1.00 4.14 C ATOM 419 C LYS A 27 -3.066 -0.447 -6.094 1.00 5.58 C ATOM 420 O LYS A 27 -4.150 -1.082 -6.012 1.00 4.11 O ATOM 421 CB LYS A 27 -3.008 1.626 -4.650 1.00 3.97 C ATOM 422 CG LYS A 27 -2.710 2.288 -3.333 1.00 7.45 C ATOM 423 CD LYS A 27 -3.129 3.744 -3.434 1.00 9.02 C ATOM 424 CE LYS A 27 -3.365 4.405 -2.056 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.163 5.618 -2.389 1.00 15.47 N ATOM 0 H LYS A 27 -0.686 1.165 -4.635 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.761 -0.501 -4.079 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.615 2.262 -5.443 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.090 1.594 -4.774 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.249 1.791 -2.526 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.648 2.212 -3.100 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.360 4.301 -3.970 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.043 3.813 -4.024 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.904 3.742 -1.379 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.425 4.663 -1.568 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.335 6.169 -1.524 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.639 6.201 -3.072 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.073 5.332 -2.804 1.00 15.47 H new ATOM 439 N ALA A 28 -2.420 -0.325 -7.275 1.00 6.61 N ATOM 440 CA ALA A 28 -2.769 -0.853 -8.546 1.00 7.74 C ATOM 441 C ALA A 28 -2.630 -2.408 -8.513 1.00 9.17 C ATOM 442 O ALA A 28 -3.488 -3.166 -8.986 1.00 11.45 O ATOM 443 CB ALA A 28 -1.919 -0.203 -9.691 1.00 7.68 C ATOM 0 H ALA A 28 -1.553 0.209 -7.330 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.807 -0.605 -8.766 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.213 -0.631 -10.650 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.091 0.873 -9.706 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.861 -0.399 -9.515 1.00 7.68 H new ATOM 449 N LYS A 29 -1.591 -2.898 -7.847 1.00 8.96 N ATOM 450 CA LYS A 29 -1.327 -4.262 -7.597 1.00 7.90 C ATOM 451 C LYS A 29 -2.360 -4.936 -6.646 1.00 6.92 C ATOM 452 O LYS A 29 -2.904 -6.031 -6.926 1.00 6.87 O ATOM 453 CB LYS A 29 0.053 -4.407 -6.969 1.00 10.28 C ATOM 454 CG LYS A 29 1.171 -4.419 -7.965 1.00 14.94 C ATOM 455 CD LYS A 29 2.598 -4.268 -7.318 1.00 19.69 C ATOM 456 CE LYS A 29 3.743 -3.892 -8.328 1.00 22.63 C ATOM 457 NZ LYS A 29 3.914 -4.941 -9.386 1.00 24.98 N ATOM 0 H LYS A 29 -0.876 -2.288 -7.450 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.391 -4.763 -8.563 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.211 -3.587 -6.269 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.084 -5.330 -6.391 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.134 -5.352 -8.528 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.018 -3.610 -8.679 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.551 -3.503 -6.543 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.860 -5.205 -6.826 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.515 -2.935 -8.797 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.680 -3.766 -7.786 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.677 -4.659 -10.034 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.156 -5.848 -8.939 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.027 -5.044 -9.920 1.00 24.98 H new ATOM 471 N ILE A 30 -2.706 -4.243 -5.551 1.00 4.57 N ATOM 472 CA ILE A 30 -3.797 -4.639 -4.644 1.00 5.58 C ATOM 473 C ILE A 30 -5.096 -4.623 -5.335 1.00 7.26 C ATOM 474 O ILE A 30 -5.929 -5.534 -5.187 1.00 9.46 O ATOM 475 CB ILE A 30 -3.866 -3.890 -3.349 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.543 -4.084 -2.507 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.132 -4.258 -2.530 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.473 -3.284 -1.131 1.00 2.00 C ATOM 0 H ILE A 30 -2.234 -3.385 -5.267 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.550 -5.661 -4.355 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.949 -2.830 -3.590 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.423 -5.146 -2.294 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.695 -3.784 -3.123 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.141 -3.691 -1.599 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.023 -4.017 -3.110 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.123 -5.325 -2.305 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.523 -3.491 -0.638 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.555 -2.215 -1.327 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.293 -3.598 -0.485 1.00 2.00 H new ATOM 490 N GLN A 31 -5.344 -3.646 -6.322 1.00 7.06 N ATOM 491 CA GLN A 31 -6.492 -3.674 -7.222 1.00 8.67 C ATOM 492 C GLN A 31 -6.409 -4.820 -8.183 1.00 10.90 C ATOM 493 O GLN A 31 -7.482 -5.376 -8.470 1.00 9.63 O ATOM 494 CB GLN A 31 -6.604 -2.322 -8.022 1.00 9.12 C ATOM 495 CG GLN A 31 -7.933 -2.339 -8.880 1.00 10.76 C ATOM 496 CD GLN A 31 -8.083 -1.071 -9.780 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.072 -0.331 -9.638 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.105 -0.808 -10.630 1.00 14.76 N ATOM 0 H GLN A 31 -4.730 -2.846 -6.474 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.382 -3.804 -6.607 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.611 -1.477 -7.334 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.738 -2.196 -8.672 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.944 -3.229 -9.508 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.791 -2.410 -8.212 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.314 -1.447 -10.710 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.142 0.033 -11.205 1.00 14.76 H new ATOM 507 N ASP A 32 -5.289 -5.291 -8.706 1.00 10.93 N ATOM 508 CA ASP A 32 -5.266 -6.525 -9.482 1.00 14.01 C ATOM 509 C ASP A 32 -5.530 -7.829 -8.637 1.00 14.04 C ATOM 510 O ASP A 32 -6.300 -8.666 -9.085 1.00 13.39 O ATOM 511 CB ASP A 32 -3.924 -6.625 -10.261 1.00 18.01 C ATOM 512 CG ASP A 32 -3.805 -5.548 -11.336 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.872 -5.158 -11.939 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.736 -4.994 -11.643 1.00 25.17 O ATOM 0 H ASP A 32 -4.380 -4.838 -8.608 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.102 -6.469 -10.180 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.092 -6.534 -9.563 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.846 -7.609 -10.723 1.00 18.01 H new ATOM 519 N LYS A 33 -4.909 -8.022 -7.432 1.00 14.22 N ATOM 520 CA LYS A 33 -5.290 -9.045 -6.540 1.00 14.00 C ATOM 521 C LYS A 33 -6.706 -8.997 -5.995 1.00 12.37 C ATOM 522 O LYS A 33 -7.484 -9.955 -6.051 1.00 12.17 O ATOM 523 CB LYS A 33 -4.374 -8.961 -5.307 1.00 18.62 C ATOM 524 CG LYS A 33 -2.873 -9.399 -5.550 1.00 24.00 C ATOM 525 CD LYS A 33 -2.096 -9.718 -4.222 1.00 27.61 C ATOM 526 CE LYS A 33 -0.808 -10.497 -4.393 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.136 -11.750 -5.036 1.00 30.06 N ATOM 0 H LYS A 33 -4.136 -7.446 -7.098 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.215 -9.957 -7.133 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.381 -7.935 -4.939 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.795 -9.586 -4.519 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.858 -10.280 -6.192 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.352 -8.605 -6.086 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.868 -8.778 -3.720 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.756 -10.280 -3.561 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.096 -9.932 -4.995 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.337 -10.675 -3.426 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.373 -12.436 -4.869 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.025 -12.119 -4.643 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.246 -11.597 -6.059 1.00 30.06 H new ATOM 541 N GLU A 34 -7.199 -7.840 -5.485 1.00 10.11 N ATOM 542 CA GLU A 34 -8.346 -7.805 -4.662 1.00 10.07 C ATOM 543 C GLU A 34 -9.423 -6.939 -5.209 1.00 9.32 C ATOM 544 O GLU A 34 -10.522 -6.815 -4.667 1.00 11.61 O ATOM 545 CB GLU A 34 -7.882 -7.219 -3.272 1.00 14.77 C ATOM 546 CG GLU A 34 -6.836 -8.056 -2.545 1.00 18.75 C ATOM 547 CD GLU A 34 -7.313 -9.482 -2.225 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.336 -9.619 -1.568 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.623 -10.444 -2.594 1.00 21.95 O ATOM 0 H GLU A 34 -6.782 -6.925 -5.657 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.759 -8.811 -4.586 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.480 -6.218 -3.431 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.755 -7.114 -2.628 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.935 -8.110 -3.156 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.561 -7.555 -1.617 1.00 18.75 H new ATOM 556 N GLY A 35 -9.198 -6.275 -6.330 1.00 7.22 N ATOM 557 CA GLY A 35 -10.299 -5.680 -7.078 1.00 6.29 C ATOM 558 C GLY A 35 -10.795 -4.385 -6.477 1.00 6.93 C ATOM 559 O GLY A 35 -11.967 -4.051 -6.671 1.00 7.41 O ATOM 0 H GLY A 35 -8.275 -6.134 -6.741 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.977 -5.497 -8.103 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.124 -6.391 -7.125 1.00 6.29 H new ATOM 563 N ILE A 36 -9.992 -3.652 -5.631 1.00 5.86 N ATOM 564 CA ILE A 36 -10.427 -2.406 -4.918 1.00 6.07 C ATOM 565 C ILE A 36 -9.837 -1.193 -5.678 1.00 6.36 C ATOM 566 O ILE A 36 -8.620 -1.221 -5.947 1.00 6.18 O ATOM 567 CB ILE A 36 -9.914 -2.354 -3.438 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.210 -3.654 -2.617 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.546 -1.134 -2.733 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.129 -3.864 -1.554 1.00 9.49 C ATOM 0 H ILE A 36 -9.027 -3.913 -5.428 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.517 -2.391 -4.894 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.828 -2.268 -3.481 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.188 -3.578 -2.142 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.246 -4.515 -3.285 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.196 -1.088 -1.702 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.257 -0.222 -3.255 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.632 -1.230 -2.744 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.345 -4.771 -0.989 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.157 -3.961 -2.038 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.114 -3.010 -0.877 1.00 9.49 H new ATOM 582 N PRO A 37 -10.552 -0.129 -5.950 1.00 8.65 N ATOM 583 CA PRO A 37 -9.940 1.125 -6.476 1.00 9.18 C ATOM 584 C PRO A 37 -8.804 1.711 -5.678 1.00 9.85 C ATOM 585 O PRO A 37 -8.989 1.827 -4.476 1.00 8.51 O ATOM 586 CB PRO A 37 -11.128 2.093 -6.546 1.00 11.42 C ATOM 587 CG PRO A 37 -12.289 1.179 -6.857 1.00 9.27 C ATOM 588 CD PRO A 37 -11.995 -0.096 -6.037 1.00 8.33 C ATOM 0 HA PRO A 37 -9.450 0.921 -7.428 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.273 2.624 -5.605 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.989 2.848 -7.320 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.239 1.629 -6.568 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.351 0.962 -7.923 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.454 -0.050 -5.049 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.386 -0.986 -6.529 1.00 8.33 H new ATOM 596 N PRO A 38 -7.624 2.024 -6.257 1.00 8.71 N ATOM 597 CA PRO A 38 -6.577 2.796 -5.562 1.00 9.08 C ATOM 598 C PRO A 38 -7.053 4.017 -4.788 1.00 9.28 C ATOM 599 O PRO A 38 -6.502 4.246 -3.731 1.00 6.50 O ATOM 600 CB PRO A 38 -5.551 3.053 -6.655 1.00 10.31 C ATOM 601 CG PRO A 38 -5.671 1.816 -7.589 1.00 10.81 C ATOM 602 CD PRO A 38 -7.218 1.517 -7.574 1.00 12.00 C ATOM 0 HA PRO A 38 -6.149 2.245 -4.724 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.763 3.978 -7.191 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.546 3.146 -6.244 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.310 2.032 -8.595 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.092 0.971 -7.217 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.738 2.028 -8.384 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.427 0.453 -7.682 1.00 12.00 H new ATOM 610 N ASP A 39 -8.128 4.715 -5.247 1.00 11.20 N ATOM 611 CA ASP A 39 -8.756 5.847 -4.597 1.00 14.96 C ATOM 612 C ASP A 39 -9.409 5.584 -3.241 1.00 13.99 C ATOM 613 O ASP A 39 -9.364 6.432 -2.352 1.00 13.75 O ATOM 614 CB ASP A 39 -9.801 6.373 -5.595 1.00 24.16 C ATOM 615 CG ASP A 39 -9.212 6.639 -6.967 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.511 7.673 -7.206 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.441 5.834 -7.899 1.00 35.55 O ATOM 0 H ASP A 39 -8.586 4.473 -6.126 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.970 6.561 -4.352 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.610 5.648 -5.685 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.239 7.293 -5.207 1.00 24.16 H new ATOM 622 N GLN A 40 -9.996 4.418 -3.014 1.00 11.60 N ATOM 623 CA GLN A 40 -10.593 3.964 -1.748 1.00 10.76 C ATOM 624 C GLN A 40 -9.454 3.608 -0.801 1.00 8.01 C ATOM 625 O GLN A 40 -9.550 3.855 0.391 1.00 8.96 O ATOM 626 CB GLN A 40 -11.411 2.624 -1.933 1.00 11.14 C ATOM 627 CG GLN A 40 -12.884 2.722 -2.338 1.00 14.85 C ATOM 628 CD GLN A 40 -13.543 1.340 -2.305 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.862 0.717 -3.313 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.778 0.875 -1.078 1.00 18.16 N ATOM 0 H GLN A 40 -10.078 3.714 -3.748 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.246 4.757 -1.383 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.899 2.023 -2.685 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.360 2.072 -0.995 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.409 3.398 -1.663 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.965 3.146 -3.339 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.498 1.421 -0.263 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.237 -0.027 -0.954 1.00 18.16 H new ATOM 639 N GLN A 41 -8.370 2.919 -1.263 1.00 6.52 N ATOM 640 CA GLN A 41 -7.291 2.398 -0.470 1.00 3.87 C ATOM 641 C GLN A 41 -6.493 3.512 0.166 1.00 4.79 C ATOM 642 O GLN A 41 -6.236 4.572 -0.397 1.00 6.34 O ATOM 643 CB GLN A 41 -6.316 1.454 -1.259 1.00 4.20 C ATOM 644 CG GLN A 41 -7.011 0.406 -2.166 1.00 3.20 C ATOM 645 CD GLN A 41 -5.892 -0.251 -2.915 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.787 -0.391 -2.348 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.157 -0.857 -4.070 1.00 7.13 N ATOM 0 H GLN A 41 -8.249 2.718 -2.256 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.774 1.794 0.298 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.660 2.068 -1.876 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.683 0.930 -0.543 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.572 -0.319 -1.576 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.719 0.879 -2.847 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.065 -0.729 -4.516 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.452 -1.449 -4.509 1.00 7.13 H new ATOM 656 N ARG A 42 -6.067 3.259 1.390 1.00 5.73 N ATOM 657 CA ARG A 42 -5.160 4.012 2.183 1.00 6.97 C ATOM 658 C ARG A 42 -4.083 3.066 2.609 1.00 7.15 C ATOM 659 O ARG A 42 -4.285 2.022 3.246 1.00 7.33 O ATOM 660 CB ARG A 42 -5.835 4.600 3.411 1.00 13.23 C ATOM 661 CG ARG A 42 -7.146 5.362 3.190 1.00 21.27 C ATOM 662 CD ARG A 42 -7.433 6.305 4.366 1.00 26.14 C ATOM 663 NE ARG A 42 -8.939 6.642 4.399 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.827 6.330 5.360 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.398 5.864 6.538 1.00 35.30 N ATOM 666 NH2 ARG A 42 -11.088 6.585 5.201 1.00 36.39 N ATOM 0 H ARG A 42 -6.392 2.431 1.889 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.769 4.850 1.606 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.030 3.788 4.111 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.129 5.275 3.894 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.087 5.935 2.265 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.968 4.655 3.076 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.134 5.836 5.303 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.847 7.219 4.265 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.303 7.161 3.600 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.399 5.746 6.706 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.070 5.627 7.268 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -11.415 7.026 4.341 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.754 6.345 5.936 1.00 36.39 H new ATOM 680 N LEU A 43 -2.833 3.372 2.404 1.00 4.65 N ATOM 681 CA LEU A 43 -1.731 2.565 2.986 1.00 3.51 C ATOM 682 C LEU A 43 -0.996 3.357 4.056 1.00 5.56 C ATOM 683 O LEU A 43 -0.593 4.479 3.863 1.00 4.19 O ATOM 684 CB LEU A 43 -0.663 2.152 1.906 1.00 3.74 C ATOM 685 CG LEU A 43 -1.204 1.321 0.717 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.193 0.990 -0.388 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.771 0.029 1.320 1.00 6.41 C ATOM 0 H LEU A 43 -2.525 4.167 1.844 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.198 1.673 3.403 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.200 3.057 1.513 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.123 1.580 2.398 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.949 1.929 0.203 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.683 0.406 -1.167 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.193 1.915 -0.817 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.631 0.414 0.033 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.169 -0.600 0.524 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.979 -0.506 1.844 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.568 0.274 2.021 1.00 6.41 H new ATOM 699 N ILE A 44 -0.946 2.761 5.313 1.00 4.58 N ATOM 700 CA ILE A 44 -0.204 3.216 6.502 1.00 5.55 C ATOM 701 C ILE A 44 1.091 2.437 6.758 1.00 5.46 C ATOM 702 O ILE A 44 1.181 1.185 6.666 1.00 6.04 O ATOM 703 CB ILE A 44 -1.107 3.357 7.764 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.059 4.495 7.540 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.367 3.556 9.082 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.454 4.256 8.154 1.00 13.90 C ATOM 0 H ILE A 44 -1.463 1.902 5.503 1.00 4.58 H new ATOM 0 HA ILE A 44 0.127 4.227 6.265 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.621 2.403 7.877 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.634 5.404 7.965 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.166 4.664 6.469 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.088 3.643 9.895 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.286 2.702 9.265 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.231 4.466 9.030 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.092 5.117 7.955 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.899 3.365 7.711 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.359 4.116 9.231 1.00 13.90 H new ATOM 718 N PHE A 45 2.241 3.116 7.070 1.00 6.75 N ATOM 719 CA PHE A 45 3.519 2.411 7.464 1.00 4.70 C ATOM 720 C PHE A 45 4.279 3.294 8.388 1.00 6.34 C ATOM 721 O PHE A 45 4.260 4.509 8.313 1.00 5.45 O ATOM 722 CB PHE A 45 4.362 2.151 6.125 1.00 5.51 C ATOM 723 CG PHE A 45 5.854 1.901 6.381 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.335 0.631 6.725 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.745 2.956 6.005 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.735 0.481 6.834 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.108 2.727 6.030 1.00 6.64 C ATOM 728 CZ PHE A 45 8.644 1.467 6.406 1.00 6.84 C ATOM 0 H PHE A 45 2.315 4.133 7.059 1.00 6.75 H new ATOM 0 HA PHE A 45 3.317 1.464 7.964 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.942 1.292 5.602 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.254 3.011 5.464 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.664 -0.197 6.899 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.357 3.919 5.706 1.00 5.87 H new ATOM 0 HE1 PHE A 45 8.125 -0.430 7.264 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.782 3.526 5.757 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.706 1.273 6.365 1.00 6.84 H new ATOM 738 N ALA A 46 4.811 2.821 9.566 1.00 6.53 N ATOM 739 CA ALA A 46 5.346 3.565 10.684 1.00 7.15 C ATOM 740 C ALA A 46 4.448 4.649 11.284 1.00 9.00 C ATOM 741 O ALA A 46 4.804 5.742 11.701 1.00 11.15 O ATOM 742 CB ALA A 46 6.804 4.041 10.414 1.00 8.99 C ATOM 0 H ALA A 46 4.865 1.817 9.737 1.00 6.53 H new ATOM 0 HA ALA A 46 5.376 2.836 11.494 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.171 4.596 11.277 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.443 3.175 10.241 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.820 4.685 9.535 1.00 8.99 H new ATOM 748 N GLY A 47 3.182 4.345 11.381 1.00 9.35 N ATOM 749 CA GLY A 47 2.078 5.242 11.869 1.00 11.68 C ATOM 750 C GLY A 47 1.673 6.264 10.884 1.00 11.14 C ATOM 751 O GLY A 47 0.840 7.129 11.223 1.00 13.93 O ATOM 0 H GLY A 47 2.836 3.423 11.116 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.212 4.632 12.126 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.401 5.738 12.784 1.00 11.68 H new ATOM 755 N LYS A 48 2.319 6.323 9.712 1.00 10.47 N ATOM 756 CA LYS A 48 2.185 7.491 8.825 1.00 8.82 C ATOM 757 C LYS A 48 1.493 7.101 7.516 1.00 7.68 C ATOM 758 O LYS A 48 1.938 6.126 6.904 1.00 6.47 O ATOM 759 CB LYS A 48 3.520 8.156 8.478 1.00 9.74 C ATOM 760 CG LYS A 48 3.416 9.221 7.359 1.00 14.14 C ATOM 761 CD LYS A 48 4.824 9.640 6.858 1.00 16.32 C ATOM 762 CE LYS A 48 5.671 10.423 7.933 1.00 20.04 C ATOM 763 NZ LYS A 48 6.966 10.828 7.360 1.00 23.92 N ATOM 0 H LYS A 48 2.932 5.588 9.358 1.00 10.47 H new ATOM 0 HA LYS A 48 1.587 8.209 9.386 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.926 8.624 9.375 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.229 7.387 8.170 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.833 8.824 6.528 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.884 10.096 7.733 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.373 8.748 6.555 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.714 10.263 5.971 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.122 11.303 8.269 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.833 9.794 8.808 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.517 11.343 8.076 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.493 9.983 7.060 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.804 11.444 6.538 1.00 23.92 H new ATOM 777 N GLN A 49 0.338 7.766 7.171 1.00 8.89 N ATOM 778 CA GLN A 49 -0.317 7.511 5.973 1.00 7.18 C ATOM 779 C GLN A 49 0.482 7.908 4.683 1.00 8.23 C ATOM 780 O GLN A 49 1.059 8.984 4.523 1.00 9.70 O ATOM 781 CB GLN A 49 -1.673 8.154 5.917 1.00 11.67 C ATOM 782 CG GLN A 49 -2.509 7.676 4.765 1.00 15.82 C ATOM 783 CD GLN A 49 -3.968 8.206 4.679 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.867 7.790 5.420 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.234 9.091 3.685 1.00 20.67 N ATOM 0 H GLN A 49 -0.108 8.474 7.754 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.415 6.425 5.970 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.202 7.953 6.849 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.552 9.235 5.846 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.997 7.945 3.841 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.547 6.587 4.803 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.481 9.424 3.083 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.187 9.423 3.540 1.00 20.67 H new ATOM 794 N LEU A 50 0.666 6.962 3.733 1.00 6.51 N ATOM 795 CA LEU A 50 1.538 7.082 2.510 1.00 7.41 C ATOM 796 C LEU A 50 0.864 7.764 1.371 1.00 8.27 C ATOM 797 O LEU A 50 -0.312 7.516 1.108 1.00 8.34 O ATOM 798 CB LEU A 50 2.023 5.703 2.055 1.00 7.13 C ATOM 799 CG LEU A 50 2.765 4.817 3.126 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.196 3.415 2.642 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.986 5.492 3.809 1.00 9.11 C ATOM 0 H LEU A 50 0.201 6.056 3.786 1.00 6.51 H new ATOM 0 HA LEU A 50 2.385 7.701 2.807 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.161 5.144 1.691 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.694 5.842 1.207 1.00 7.13 H new ATOM 0 HG LEU A 50 1.972 4.698 3.864 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.697 2.888 3.454 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.316 2.851 2.331 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.879 3.515 1.799 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.428 4.802 4.529 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.727 5.752 3.054 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.661 6.396 4.325 1.00 9.11 H new ATOM 813 N GLU A 51 1.551 8.544 0.545 1.00 9.43 N ATOM 814 CA GLU A 51 1.055 9.482 -0.511 1.00 11.90 C ATOM 815 C GLU A 51 1.453 8.976 -1.887 1.00 11.49 C ATOM 816 O GLU A 51 2.607 8.697 -2.181 1.00 9.88 O ATOM 817 CB GLU A 51 1.590 10.927 -0.315 1.00 16.56 C ATOM 818 CG GLU A 51 1.422 11.459 1.114 1.00 26.06 C ATOM 819 CD GLU A 51 2.052 12.764 1.264 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.321 12.873 1.436 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.284 13.749 1.053 1.00 33.44 O ATOM 0 H GLU A 51 2.570 8.553 0.584 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.031 9.516 -0.425 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.647 10.953 -0.581 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.072 11.593 -1.004 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.362 11.533 1.356 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.862 10.756 1.821 1.00 26.06 H new ATOM 828 N ASP A 52 0.401 8.928 -2.745 1.00 12.71 N ATOM 829 CA ASP A 52 0.336 8.184 -3.982 1.00 16.56 C ATOM 830 C ASP A 52 1.583 8.352 -4.922 1.00 15.83 C ATOM 831 O ASP A 52 2.155 7.369 -5.393 1.00 17.21 O ATOM 832 CB ASP A 52 -0.912 8.338 -4.895 1.00 21.05 C ATOM 833 CG ASP A 52 -2.035 8.033 -3.930 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.394 8.999 -3.197 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.507 6.888 -3.989 1.00 28.37 O ATOM 0 H ASP A 52 -0.460 9.443 -2.561 1.00 12.71 H new ATOM 0 HA ASP A 52 0.287 7.194 -3.529 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.992 9.341 -5.313 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.893 7.643 -5.735 1.00 21.05 H new ATOM 840 N GLY A 53 2.035 9.600 -5.151 1.00 15.00 N ATOM 841 CA GLY A 53 3.082 9.966 -6.089 1.00 11.77 C ATOM 842 C GLY A 53 4.456 9.749 -5.602 1.00 11.10 C ATOM 843 O GLY A 53 5.425 9.898 -6.439 1.00 11.25 O ATOM 0 H GLY A 53 1.655 10.408 -4.658 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.943 9.395 -7.007 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.966 11.018 -6.348 1.00 11.77 H new ATOM 847 N ARG A 54 4.710 9.289 -4.357 1.00 8.53 N ATOM 848 CA ARG A 54 6.028 9.130 -3.786 1.00 9.05 C ATOM 849 C ARG A 54 6.495 7.673 -4.005 1.00 8.96 C ATOM 850 O ARG A 54 5.686 6.809 -4.282 1.00 11.60 O ATOM 851 CB ARG A 54 6.057 9.347 -2.260 1.00 7.97 C ATOM 852 CG ARG A 54 5.490 10.697 -1.957 1.00 9.62 C ATOM 853 CD ARG A 54 6.100 11.209 -0.681 1.00 12.20 C ATOM 854 NE ARG A 54 5.437 12.496 -0.311 1.00 18.23 N ATOM 855 CZ ARG A 54 5.728 13.682 -0.820 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.757 13.921 -1.594 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.866 14.664 -0.568 1.00 23.38 N ATOM 0 H ARG A 54 3.965 9.014 -3.716 1.00 8.53 H new ATOM 0 HA ARG A 54 6.662 9.872 -4.272 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.478 8.572 -1.757 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.079 9.274 -1.887 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.698 11.385 -2.776 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.406 10.637 -1.859 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.975 10.477 0.117 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.172 11.360 -0.809 1.00 12.20 H new ATOM 0 HE ARG A 54 4.699 12.457 0.392 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.396 13.165 -1.840 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.919 14.863 -1.951 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.033 14.481 -0.008 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.038 15.600 -0.935 1.00 23.38 H new ATOM 871 N THR A 55 7.760 7.350 -3.915 1.00 9.05 N ATOM 872 CA THR A 55 8.265 5.974 -4.201 1.00 9.03 C ATOM 873 C THR A 55 8.389 5.187 -2.882 1.00 8.15 C ATOM 874 O THR A 55 8.477 5.702 -1.793 1.00 5.91 O ATOM 875 CB THR A 55 9.596 5.841 -4.992 1.00 11.15 C ATOM 876 OG1 THR A 55 10.683 6.509 -4.435 1.00 11.95 O ATOM 877 CG2 THR A 55 9.304 6.411 -6.401 1.00 11.71 C ATOM 0 H THR A 55 8.490 8.010 -3.645 1.00 9.05 H new ATOM 0 HA THR A 55 7.513 5.566 -4.877 1.00 9.03 H new ATOM 0 HB THR A 55 9.893 4.792 -4.991 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.438 5.890 -4.348 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.204 6.347 -7.013 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.506 5.834 -6.869 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.996 7.453 -6.315 1.00 11.71 H new ATOM 885 N LEU A 56 8.439 3.891 -3.085 1.00 6.91 N ATOM 886 CA LEU A 56 8.796 2.935 -2.049 1.00 8.29 C ATOM 887 C LEU A 56 10.199 3.126 -1.493 1.00 8.05 C ATOM 888 O LEU A 56 10.358 3.134 -0.266 1.00 10.17 O ATOM 889 CB LEU A 56 8.712 1.498 -2.594 1.00 6.60 C ATOM 890 CG LEU A 56 7.264 0.973 -2.746 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.336 -0.388 -3.521 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.535 0.658 -1.449 1.00 8.64 C ATOM 0 H LEU A 56 8.231 3.460 -3.986 1.00 6.91 H new ATOM 0 HA LEU A 56 8.082 3.108 -1.244 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.207 1.457 -3.564 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.262 0.833 -1.927 1.00 6.60 H new ATOM 0 HG LEU A 56 6.717 1.774 -3.243 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.330 -0.789 -3.647 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.787 -0.226 -4.500 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.941 -1.097 -2.956 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.531 0.298 -1.674 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.081 -0.110 -0.902 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.469 1.560 -0.840 1.00 8.64 H new ATOM 904 N SER A 57 11.175 3.490 -2.306 1.00 8.92 N ATOM 905 CA SER A 57 12.503 3.894 -1.841 1.00 9.00 C ATOM 906 C SER A 57 12.515 5.164 -1.106 1.00 9.44 C ATOM 907 O SER A 57 13.174 5.286 -0.052 1.00 10.91 O ATOM 908 CB SER A 57 13.479 3.964 -3.007 1.00 10.32 C ATOM 909 OG SER A 57 13.132 4.932 -4.039 1.00 13.59 O ATOM 0 H SER A 57 11.073 3.516 -3.321 1.00 8.92 H new ATOM 0 HA SER A 57 12.815 3.124 -1.135 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.469 4.206 -2.620 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.549 2.977 -3.464 1.00 10.32 H new ATOM 0 HG SER A 57 13.810 4.913 -4.747 1.00 13.59 H new ATOM 915 N ASP A 58 11.757 6.200 -1.502 1.00 9.11 N ATOM 916 CA ASP A 58 11.672 7.433 -0.797 1.00 7.91 C ATOM 917 C ASP A 58 11.097 7.447 0.666 1.00 9.12 C ATOM 918 O ASP A 58 11.474 8.255 1.532 1.00 8.61 O ATOM 919 CB ASP A 58 10.779 8.375 -1.640 1.00 8.41 C ATOM 920 CG ASP A 58 10.850 9.851 -1.232 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.924 10.452 -1.414 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.818 10.415 -0.851 1.00 11.70 O ATOM 0 H ASP A 58 11.183 6.175 -2.345 1.00 9.11 H new ATOM 0 HA ASP A 58 12.714 7.727 -0.668 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.066 8.286 -2.688 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.745 8.039 -1.564 1.00 8.41 H new ATOM 927 N TYR A 59 10.218 6.519 0.830 1.00 7.97 N ATOM 928 CA TYR A 59 9.684 6.097 2.178 1.00 8.45 C ATOM 929 C TYR A 59 10.454 4.988 2.770 1.00 10.98 C ATOM 930 O TYR A 59 10.150 4.540 3.854 1.00 12.95 O ATOM 931 CB TYR A 59 8.228 5.529 1.976 1.00 7.94 C ATOM 932 CG TYR A 59 7.142 6.552 1.903 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.963 7.468 2.960 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.354 6.615 0.785 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.905 8.382 2.942 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.306 7.567 0.755 1.00 6.52 C ATOM 937 CZ TYR A 59 5.125 8.439 1.817 1.00 6.76 C ATOM 938 OH TYR A 59 4.118 9.382 1.789 1.00 7.63 O ATOM 0 H TYR A 59 9.814 5.996 0.053 1.00 7.97 H new ATOM 0 HA TYR A 59 9.734 6.971 2.827 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.211 4.940 1.059 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.006 4.847 2.797 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.651 7.464 3.793 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.527 5.956 -0.053 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.709 9.023 3.789 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.646 7.614 -0.098 1.00 6.52 H new ATOM 0 HH TYR A 59 4.510 10.278 1.721 1.00 7.63 H new ATOM 948 N ASN A 60 11.562 4.545 2.167 1.00 12.38 N ATOM 949 CA ASN A 60 12.564 3.619 2.650 1.00 13.94 C ATOM 950 C ASN A 60 12.052 2.251 2.844 1.00 14.16 C ATOM 951 O ASN A 60 12.491 1.586 3.804 1.00 14.26 O ATOM 952 CB ASN A 60 13.464 4.179 3.835 1.00 19.23 C ATOM 953 CG ASN A 60 14.294 5.340 3.334 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.166 5.177 2.490 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.989 6.478 3.898 1.00 24.09 N ATOM 0 H ASN A 60 11.793 4.868 1.228 1.00 12.38 H new ATOM 0 HA ASN A 60 13.278 3.523 1.832 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.833 4.500 4.664 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.114 3.391 4.216 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.495 7.326 3.642 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.245 6.519 4.594 1.00 24.09 H new ATOM 962 N ILE A 61 11.136 1.757 2.038 1.00 11.08 N ATOM 963 CA ILE A 61 10.433 0.507 2.198 1.00 11.78 C ATOM 964 C ILE A 61 11.277 -0.651 1.771 1.00 13.74 C ATOM 965 O ILE A 61 11.902 -0.610 0.677 1.00 14.60 O ATOM 966 CB ILE A 61 9.065 0.571 1.664 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.230 1.532 2.534 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.456 -0.853 1.619 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.755 1.793 2.153 1.00 11.42 C ATOM 0 H ILE A 61 10.845 2.255 1.197 1.00 11.08 H new ATOM 0 HA ILE A 61 10.264 0.318 3.258 1.00 11.78 H new ATOM 0 HB ILE A 61 9.069 0.956 0.644 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.244 1.149 3.555 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.742 2.494 2.547 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.442 -0.803 1.223 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.065 -1.489 0.977 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.432 -1.270 2.626 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.313 2.490 2.865 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.708 2.219 1.151 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.202 0.854 2.174 1.00 11.42 H new ATOM 981 N GLN A 62 11.400 -1.615 2.722 1.00 13.97 N ATOM 982 CA GLN A 62 12.366 -2.643 2.650 1.00 15.52 C ATOM 983 C GLN A 62 11.811 -4.007 2.298 1.00 13.94 C ATOM 984 O GLN A 62 10.603 -4.143 2.238 1.00 12.15 O ATOM 985 CB GLN A 62 13.022 -2.786 4.081 1.00 19.53 C ATOM 986 CG GLN A 62 13.931 -1.546 4.374 1.00 26.38 C ATOM 987 CD GLN A 62 15.194 -1.585 3.538 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.006 -2.545 3.563 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.474 -0.500 2.769 1.00 32.71 N ATOM 0 H GLN A 62 10.807 -1.664 3.550 1.00 13.97 H new ATOM 0 HA GLN A 62 13.060 -2.355 1.860 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.245 -2.866 4.841 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.612 -3.701 4.131 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.380 -0.629 4.163 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.192 -1.525 5.432 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.824 0.286 2.739 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.334 -0.471 2.221 1.00 32.71 H new ATOM 998 N LYS A 63 12.596 -4.940 1.884 1.00 11.73 N ATOM 999 CA LYS A 63 12.150 -6.327 1.825 1.00 11.97 C ATOM 1000 C LYS A 63 11.593 -6.954 3.190 1.00 10.41 C ATOM 1001 O LYS A 63 12.206 -6.728 4.275 1.00 9.59 O ATOM 1002 CB LYS A 63 13.253 -7.345 1.299 1.00 13.73 C ATOM 1003 CG LYS A 63 14.583 -7.411 2.103 1.00 16.98 C ATOM 1004 CD LYS A 63 15.608 -8.513 1.610 1.00 20.19 C ATOM 1005 CE LYS A 63 16.138 -8.334 0.185 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.995 -7.185 -0.007 1.00 25.97 N ATOM 0 H LYS A 63 13.556 -4.788 1.576 1.00 11.73 H new ATOM 0 HA LYS A 63 11.328 -6.226 1.116 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.815 -8.343 1.283 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.491 -7.085 0.268 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.069 -6.436 2.054 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.348 -7.598 3.151 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.456 -8.527 2.295 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.126 -9.488 1.679 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.689 -9.231 -0.097 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.290 -8.254 -0.495 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.305 -7.145 -0.999 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.471 -6.318 0.227 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.827 -7.265 0.612 1.00 25.97 H new ATOM 1020 N GLU A 64 10.531 -7.707 3.063 1.00 10.04 N ATOM 1021 CA GLU A 64 9.871 -8.354 4.180 1.00 10.94 C ATOM 1022 C GLU A 64 9.340 -7.238 5.179 1.00 9.74 C ATOM 1023 O GLU A 64 9.219 -7.413 6.387 1.00 9.42 O ATOM 1024 CB GLU A 64 10.665 -9.456 4.928 1.00 18.31 C ATOM 1025 CG GLU A 64 10.985 -10.668 3.956 1.00 24.16 C ATOM 1026 CD GLU A 64 11.464 -11.912 4.768 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.559 -12.516 5.383 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.661 -12.275 4.819 1.00 31.72 O ATOM 0 H GLU A 64 10.088 -7.895 2.164 1.00 10.04 H new ATOM 0 HA GLU A 64 9.051 -8.921 3.739 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.594 -9.041 5.319 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.089 -9.810 5.783 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.096 -10.924 3.380 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.754 -10.375 3.242 1.00 24.16 H new ATOM 1035 N SER A 65 8.899 -6.108 4.633 1.00 6.85 N ATOM 1036 CA SER A 65 8.347 -5.035 5.418 1.00 6.90 C ATOM 1037 C SER A 65 6.889 -5.085 5.398 1.00 4.72 C ATOM 1038 O SER A 65 6.303 -5.496 4.374 1.00 3.91 O ATOM 1039 CB SER A 65 8.790 -3.633 5.009 1.00 7.28 C ATOM 1040 OG SER A 65 8.596 -2.674 6.065 1.00 10.56 O ATOM 0 H SER A 65 8.919 -5.921 3.630 1.00 6.85 H new ATOM 0 HA SER A 65 8.741 -5.203 6.420 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.843 -3.654 4.728 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.231 -3.319 4.128 1.00 7.28 H new ATOM 0 HG SER A 65 8.315 -1.817 5.681 1.00 10.56 H new ATOM 1046 N THR A 66 6.203 -4.596 6.447 1.00 4.48 N ATOM 1047 CA THR A 66 4.771 -4.697 6.579 1.00 3.80 C ATOM 1048 C THR A 66 4.014 -3.385 6.434 1.00 4.60 C ATOM 1049 O THR A 66 4.297 -2.430 7.172 1.00 5.33 O ATOM 1050 CB THR A 66 4.457 -5.385 7.945 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.092 -6.607 8.029 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.941 -5.742 8.188 1.00 3.40 C ATOM 0 H THR A 66 6.651 -4.116 7.228 1.00 4.48 H new ATOM 0 HA THR A 66 4.412 -5.295 5.742 1.00 3.80 H new ATOM 0 HB THR A 66 4.788 -4.644 8.673 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.886 -7.024 8.892 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.831 -6.215 9.164 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.343 -4.831 8.157 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.600 -6.427 7.412 1.00 3.40 H new ATOM 1060 N LEU A 67 3.124 -3.265 5.494 1.00 4.17 N ATOM 1061 CA LEU A 67 2.260 -2.084 5.269 1.00 3.85 C ATOM 1062 C LEU A 67 0.900 -2.333 5.768 1.00 3.80 C ATOM 1063 O LEU A 67 0.423 -3.469 5.781 1.00 5.54 O ATOM 1064 CB LEU A 67 2.369 -1.576 3.794 1.00 7.18 C ATOM 1065 CG LEU A 67 3.723 -1.683 3.096 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.569 -1.259 1.637 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.921 -0.965 3.753 1.00 11.66 C ATOM 0 H LEU A 67 2.952 -4.009 4.817 1.00 4.17 H new ATOM 0 HA LEU A 67 2.617 -1.242 5.862 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.641 -2.126 3.197 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.067 -0.529 3.779 1.00 7.18 H new ATOM 0 HG LEU A 67 3.996 -2.734 3.190 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.533 -1.333 1.133 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.850 -1.912 1.142 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.215 -0.229 1.593 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.816 -1.125 3.151 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.714 0.103 3.818 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.081 -1.365 4.754 1.00 11.66 H new ATOM 1079 N HIS A 68 0.212 -1.344 6.263 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.128 -1.467 6.829 1.00 4.17 C ATOM 1081 C HIS A 68 -2.116 -0.892 5.785 1.00 5.32 C ATOM 1082 O HIS A 68 -1.834 0.138 5.242 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.216 -0.798 8.196 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.300 -1.393 9.182 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.984 -0.927 9.315 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.388 -2.584 9.830 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.599 -1.832 10.090 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.818 -2.811 10.432 1.00 16.30 N ATOM 0 H HIS A 68 0.570 -0.389 6.291 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.386 -2.508 7.022 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.990 0.263 8.091 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.239 -0.871 8.566 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.252 -3.232 9.863 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.632 -1.755 10.396 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.058 -3.598 11.034 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.267 -1.589 5.456 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.223 -1.146 4.471 1.00 3.97 C ATOM 1098 C LEU A 69 -5.549 -0.878 5.131 1.00 5.07 C ATOM 1099 O LEU A 69 -6.028 -1.619 6.007 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.385 -2.247 3.403 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.449 -2.156 2.358 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.145 -0.964 1.462 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.614 -3.461 1.666 1.00 9.96 C ATOM 0 H LEU A 69 -3.520 -2.475 5.894 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.871 -0.227 4.003 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.431 -2.328 2.881 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.539 -3.186 3.934 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.430 -1.965 2.793 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.913 -0.882 0.692 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.133 -0.053 2.060 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.172 -1.102 0.991 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.393 -3.375 0.909 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.674 -3.742 1.190 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.896 -4.224 2.391 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.086 0.317 4.768 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.309 0.800 5.306 1.00 6.26 C ATOM 1117 C VAL A 70 -8.168 1.180 4.090 1.00 9.22 C ATOM 1118 O VAL A 70 -7.587 1.583 3.049 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.214 2.032 6.175 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.534 2.602 6.740 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.201 1.733 7.340 1.00 8.54 C ATOM 0 H VAL A 70 -5.654 0.946 4.091 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.705 0.016 5.951 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.873 2.827 5.512 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.320 3.484 7.344 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.193 2.877 5.917 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.021 1.848 7.358 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.116 2.610 7.982 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.560 0.887 7.927 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.224 1.494 6.920 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.518 0.918 4.106 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.373 1.085 2.937 1.00 16.06 C ATOM 1133 C LEU A 71 -11.465 2.035 3.335 1.00 18.09 C ATOM 1134 O LEU A 71 -12.279 1.795 4.238 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.062 -0.262 2.460 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.071 -1.400 2.161 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.868 -2.663 1.717 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.950 -0.966 1.182 1.00 19.57 C ATOM 0 H LEU A 71 -10.014 0.589 4.934 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.754 1.441 2.113 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.759 -0.594 3.230 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.649 -0.060 1.564 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.527 -1.663 3.068 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.173 -3.475 1.503 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.545 -2.966 2.516 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.444 -2.433 0.821 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.277 -1.805 1.004 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.394 -0.650 0.238 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.390 -0.137 1.615 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.522 3.163 2.627 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.653 4.043 2.628 1.00 25.83 C ATOM 1152 C ARG A 72 -13.898 3.374 2.086 1.00 27.74 C ATOM 1153 O ARG A 72 -13.807 2.508 1.217 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.211 5.268 1.715 1.00 28.49 C ATOM 1155 CG ARG A 72 -13.233 6.395 1.571 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.629 7.453 0.664 1.00 34.05 C ATOM 1157 NE ARG A 72 -13.692 8.538 0.464 1.00 35.08 N ATOM 1158 CZ ARG A 72 -13.460 9.711 -0.068 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -12.232 10.104 -0.234 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -14.415 10.563 -0.375 1.00 35.02 N ATOM 0 H ARG A 72 -10.759 3.482 2.030 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.918 4.353 3.639 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.291 5.687 2.123 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.975 4.889 0.721 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -14.164 6.016 1.149 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -13.474 6.819 2.546 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.728 7.874 1.111 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.337 7.019 -0.292 1.00 34.05 H new ATOM 0 HE ARG A 72 -14.644 8.332 0.766 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.460 9.500 0.049 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -12.040 11.016 -0.648 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -15.390 10.321 -0.200 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -14.180 11.465 -0.788 1.00 35.02 H new ATOM 1174 N LEU A 73 -15.151 3.758 2.454 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.328 3.297 1.683 1.00 30.76 C ATOM 1176 C LEU A 73 -16.436 3.778 0.252 1.00 32.18 C ATOM 1177 O LEU A 73 -15.937 4.820 -0.222 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.657 3.636 2.399 1.00 30.53 C ATOM 1179 CG LEU A 73 -17.888 2.901 3.700 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -19.216 3.425 4.299 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -18.131 1.395 3.512 1.00 29.11 C ATOM 0 H LEU A 73 -15.363 4.362 3.248 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.156 2.222 1.635 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -17.683 4.708 2.595 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -18.483 3.415 1.723 1.00 30.53 H new ATOM 0 HG LEU A 73 -17.001 3.061 4.313 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -19.416 2.916 5.242 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -19.137 4.498 4.476 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -20.031 3.231 3.602 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -18.289 0.928 4.484 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -19.012 1.244 2.889 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -17.264 0.944 3.030 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.084 2.937 -0.642 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.047 3.242 -2.071 1.00 35.33 C ATOM 1195 C ARG A 74 -17.968 4.381 -2.497 1.00 36.22 C ATOM 1196 O ARG A 74 -17.615 5.170 -3.386 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.325 1.944 -2.842 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.091 1.998 -4.359 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.104 0.601 -5.048 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.887 0.686 -6.479 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.367 -0.328 -7.163 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.836 -1.395 -6.595 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.469 -0.230 -8.515 1.00 41.93 N ATOM 0 H ARG A 74 -17.602 2.096 -0.386 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.053 3.619 -2.312 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.697 1.156 -2.426 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.361 1.654 -2.664 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.859 2.624 -4.813 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.132 2.479 -4.552 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.332 -0.027 -4.603 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.060 0.114 -4.857 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.139 1.543 -6.972 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.810 -1.472 -5.578 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.452 -2.142 -7.173 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.921 0.582 -8.935 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.094 -0.969 -9.110 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.088 4.584 -1.876 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.875 5.764 -2.161 1.00 36.07 C ATOM 1219 C GLY A 75 -19.482 6.964 -1.391 1.00 36.16 C ATOM 1220 O GLY A 75 -19.885 8.038 -1.834 1.00 36.26 O ATOM 0 H GLY A 75 -19.483 3.960 -1.173 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.797 5.989 -3.225 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.923 5.544 -1.957 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.690 6.856 -0.243 1.00 36.05 N ATOM 1225 CA GLY A 76 -18.378 7.901 0.744 1.00 36.19 C ATOM 1226 C GLY A 76 -16.944 8.364 0.724 1.00 36.20 C ATOM 1227 O GLY A 76 -16.178 8.146 1.710 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.570 8.911 -0.365 1.00 0.00 O ATOM 0 H GLY A 76 -18.244 5.971 -0.001 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -19.027 8.758 0.566 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -18.613 7.525 1.740 1.00 36.19 H new TER 1232 GLY A 76