USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 126:sc= 0.615 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 1 MET CE :methyl -152:sc= 0 (180deg=-1.12) USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.3 (180deg=2.26) USER MOD Single : A 2 GLN : amide:sc= 1.2 K(o=1.2,f=-0.066) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= 1.18 (180deg=-0.759!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.172 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0728 USER MOD Single : A 25 ASN : amide:sc= 0.0807 K(o=0.081,f=-0.49) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 1.49 (180deg=1.43) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0.33 (180deg=0.298) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00448 X(o=-0.0045,f=-0.26) USER MOD Single : A 41 GLN : amide:sc= -0.0724 K(o=-0.072,f=-5.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 55 THR OG1 : rot -47:sc= 1.05 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.266 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00342 K(o=-0.0034,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 97:sc= 1.09 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0499 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.571 -6.536 -4.805 1.00 9.67 N ATOM 2 CA MET A 1 11.560 -7.108 -3.421 1.00 10.38 C ATOM 3 C MET A 1 10.211 -7.508 -2.956 1.00 9.62 C ATOM 4 O MET A 1 9.235 -6.835 -3.300 1.00 9.62 O ATOM 5 CB MET A 1 12.150 -6.156 -2.300 1.00 13.77 C ATOM 6 CG MET A 1 11.249 -4.923 -1.885 1.00 16.29 C ATOM 7 SD MET A 1 12.241 -3.638 -1.094 1.00 17.17 S ATOM 8 CE MET A 1 10.807 -2.542 -0.751 1.00 16.11 C ATOM 0 H1 MET A 1 12.553 -6.452 -5.138 1.00 9.67 H new ATOM 0 H2 MET A 1 11.041 -7.163 -5.444 1.00 9.67 H new ATOM 0 H3 MET A 1 11.127 -5.596 -4.796 1.00 9.67 H new ATOM 0 HA MET A 1 12.207 -7.977 -3.539 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.343 -6.754 -1.410 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.112 -5.777 -2.644 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.755 -4.515 -2.767 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.465 -5.253 -1.204 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.140 -1.504 -0.725 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.060 -2.664 -1.535 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.369 -2.807 0.211 1.00 16.11 H new ATOM 20 N GLN A 2 10.114 -8.519 -2.056 1.00 9.27 N ATOM 21 CA GLN A 2 8.885 -8.841 -1.290 1.00 9.07 C ATOM 22 C GLN A 2 8.414 -7.870 -0.251 1.00 8.72 C ATOM 23 O GLN A 2 9.228 -7.235 0.477 1.00 8.22 O ATOM 24 CB GLN A 2 9.061 -10.209 -0.592 1.00 14.46 C ATOM 25 CG GLN A 2 9.240 -11.412 -1.499 1.00 17.01 C ATOM 26 CD GLN A 2 7.962 -11.628 -2.216 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.133 -12.406 -1.698 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.672 -11.124 -3.447 1.00 19.49 N ATOM 0 H GLN A 2 10.895 -9.139 -1.840 1.00 9.27 H new ATOM 0 HA GLN A 2 8.115 -8.817 -2.061 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.927 -10.147 0.068 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.190 -10.384 0.040 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.051 -11.241 -2.206 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.506 -12.294 -0.917 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.324 -10.486 -3.903 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.803 -11.385 -3.913 1.00 19.49 H new ATOM 37 N ILE A 3 7.117 -7.625 -0.173 1.00 5.87 N ATOM 38 CA ILE A 3 6.560 -6.847 0.982 1.00 5.07 C ATOM 39 C ILE A 3 5.359 -7.604 1.467 1.00 4.01 C ATOM 40 O ILE A 3 4.892 -8.565 0.822 1.00 4.61 O ATOM 41 CB ILE A 3 6.148 -5.400 0.829 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.096 -5.255 -0.317 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.400 -4.469 0.734 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.381 -3.948 -0.396 1.00 10.83 C ATOM 0 H ILE A 3 6.427 -7.931 -0.859 1.00 5.87 H new ATOM 0 HA ILE A 3 7.417 -6.766 1.651 1.00 5.07 H new ATOM 0 HB ILE A 3 5.631 -5.053 1.724 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.600 -5.427 -1.268 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.354 -6.045 -0.202 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.076 -3.434 0.624 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.997 -4.568 1.641 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.001 -4.754 -0.129 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.678 -3.967 -1.229 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.838 -3.774 0.533 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.104 -3.147 -0.550 1.00 10.83 H new ATOM 56 N PHE A 4 4.806 -7.201 2.634 1.00 4.55 N ATOM 57 CA PHE A 4 3.480 -7.732 3.034 1.00 4.68 C ATOM 58 C PHE A 4 2.542 -6.553 3.094 1.00 5.30 C ATOM 59 O PHE A 4 2.929 -5.438 3.290 1.00 5.58 O ATOM 60 CB PHE A 4 3.487 -8.384 4.480 1.00 4.83 C ATOM 61 CG PHE A 4 4.438 -9.581 4.447 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.499 -10.510 3.380 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.375 -9.755 5.470 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.531 -11.435 3.254 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.308 -10.831 5.485 1.00 10.61 C ATOM 66 CZ PHE A 4 6.359 -11.655 4.329 1.00 8.90 C ATOM 0 H PHE A 4 5.230 -6.543 3.288 1.00 4.55 H new ATOM 0 HA PHE A 4 3.189 -8.499 2.316 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.812 -7.658 5.225 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.483 -8.701 4.761 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.716 -10.500 2.637 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.392 -9.044 6.283 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.679 -11.971 2.328 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.947 -11.012 6.336 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.064 -12.472 4.294 1.00 8.90 H new ATOM 76 N VAL A 5 1.215 -6.791 2.878 1.00 4.44 N ATOM 77 CA VAL A 5 0.127 -5.823 3.122 1.00 3.87 C ATOM 78 C VAL A 5 -0.783 -6.558 4.100 1.00 4.93 C ATOM 79 O VAL A 5 -1.281 -7.634 3.729 1.00 6.84 O ATOM 80 CB VAL A 5 -0.546 -5.463 1.863 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.568 -4.452 2.140 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.463 -4.950 0.833 1.00 9.13 C ATOM 0 H VAL A 5 0.875 -7.684 2.521 1.00 4.44 H new ATOM 0 HA VAL A 5 0.466 -4.869 3.527 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.021 -6.349 1.442 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.071 -4.180 1.212 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.297 -4.855 2.844 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.098 -3.568 2.571 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.058 -4.690 -0.089 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.967 -4.067 1.226 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.200 -5.727 0.627 1.00 9.13 H new ATOM 92 N LYS A 6 -1.027 -5.996 5.303 1.00 6.04 N ATOM 93 CA LYS A 6 -1.947 -6.562 6.286 1.00 6.12 C ATOM 94 C LYS A 6 -3.206 -5.703 6.268 1.00 6.57 C ATOM 95 O LYS A 6 -3.184 -4.487 6.374 1.00 5.76 O ATOM 96 CB LYS A 6 -1.335 -6.580 7.661 1.00 7.45 C ATOM 97 CG LYS A 6 -2.281 -7.309 8.689 1.00 11.12 C ATOM 98 CD LYS A 6 -1.439 -8.155 9.641 1.00 14.54 C ATOM 99 CE LYS A 6 -2.283 -8.752 10.731 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.546 -9.758 11.514 1.00 20.55 N ATOM 0 H LYS A 6 -0.583 -5.131 5.612 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.179 -7.597 6.034 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.370 -7.086 7.627 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.148 -5.559 7.994 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.859 -6.576 9.251 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.995 -7.940 8.159 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.945 -8.951 9.084 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.655 -7.539 10.081 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.631 -7.960 11.395 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.169 -9.212 10.292 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.166 -10.144 12.255 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.236 -10.527 10.887 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.715 -9.314 11.955 1.00 20.55 H new ATOM 114 N THR A 7 -4.411 -6.279 6.180 1.00 7.41 N ATOM 115 CA THR A 7 -5.620 -5.525 6.013 1.00 7.48 C ATOM 116 C THR A 7 -6.249 -5.300 7.327 1.00 8.75 C ATOM 117 O THR A 7 -5.892 -5.870 8.383 1.00 8.58 O ATOM 118 CB THR A 7 -6.725 -6.285 5.140 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.192 -7.489 5.762 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.092 -6.660 3.820 1.00 9.17 C ATOM 0 H THR A 7 -4.556 -7.288 6.225 1.00 7.41 H new ATOM 0 HA THR A 7 -5.322 -4.604 5.511 1.00 7.48 H new ATOM 0 HB THR A 7 -7.579 -5.617 5.025 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.170 -7.467 5.825 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.823 -7.181 3.201 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.759 -5.758 3.307 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.237 -7.312 3.999 1.00 9.17 H new ATOM 128 N LEU A 8 -7.346 -4.512 7.405 1.00 9.84 N ATOM 129 CA LEU A 8 -8.117 -4.172 8.598 1.00 14.15 C ATOM 130 C LEU A 8 -8.736 -5.431 9.227 1.00 17.37 C ATOM 131 O LEU A 8 -8.866 -5.647 10.439 1.00 17.01 O ATOM 132 CB LEU A 8 -9.203 -3.211 8.075 1.00 16.63 C ATOM 133 CG LEU A 8 -10.121 -2.469 9.017 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.145 -3.328 9.725 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.313 -1.583 10.010 1.00 18.59 C ATOM 0 H LEU A 8 -7.734 -4.072 6.571 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.509 -3.722 9.383 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.696 -2.460 7.470 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.838 -3.787 7.402 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.718 -1.819 8.377 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.755 -2.704 10.378 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.784 -3.815 8.988 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.635 -4.086 10.320 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.001 -1.061 10.675 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.646 -2.212 10.599 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.725 -0.854 9.452 1.00 18.59 H new ATOM 147 N THR A 9 -9.139 -6.366 8.341 1.00 18.33 N ATOM 148 CA THR A 9 -9.668 -7.676 8.730 1.00 19.24 C ATOM 149 C THR A 9 -8.590 -8.671 9.116 1.00 19.48 C ATOM 150 O THR A 9 -8.839 -9.816 9.434 1.00 23.14 O ATOM 151 CB THR A 9 -10.585 -8.374 7.666 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.062 -8.285 6.315 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.981 -7.628 7.648 1.00 19.70 C ATOM 0 H THR A 9 -9.103 -6.225 7.331 1.00 18.33 H new ATOM 0 HA THR A 9 -10.279 -7.416 9.595 1.00 19.24 H new ATOM 0 HB THR A 9 -10.653 -9.424 7.949 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.673 -8.738 5.697 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.635 -8.098 6.914 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.440 -7.690 8.635 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.831 -6.581 7.383 1.00 19.70 H new ATOM 161 N GLY A 10 -7.306 -8.254 8.990 1.00 19.43 N ATOM 162 CA GLY A 10 -6.149 -9.092 9.349 1.00 18.74 C ATOM 163 C GLY A 10 -5.722 -10.039 8.228 1.00 17.62 C ATOM 164 O GLY A 10 -4.863 -10.917 8.436 1.00 19.74 O ATOM 0 H GLY A 10 -7.051 -7.331 8.638 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.310 -8.448 9.612 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.393 -9.676 10.236 1.00 18.74 H new ATOM 168 N LYS A 11 -6.211 -9.888 7.031 1.00 13.56 N ATOM 169 CA LYS A 11 -5.788 -10.680 5.881 1.00 11.91 C ATOM 170 C LYS A 11 -4.347 -10.291 5.498 1.00 10.18 C ATOM 171 O LYS A 11 -4.023 -9.119 5.606 1.00 9.10 O ATOM 172 CB LYS A 11 -6.642 -10.489 4.590 1.00 13.43 C ATOM 173 CG LYS A 11 -6.240 -11.285 3.316 1.00 16.69 C ATOM 174 CD LYS A 11 -7.230 -11.092 2.187 1.00 17.92 C ATOM 175 CE LYS A 11 -6.898 -11.841 0.906 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.847 -11.521 -0.167 1.00 21.93 N ATOM 0 H LYS A 11 -6.931 -9.200 6.808 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.898 -11.715 6.206 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.673 -10.747 4.832 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.630 -9.429 4.337 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.250 -10.967 2.988 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.170 -12.345 3.559 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.215 -11.408 2.530 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.297 -10.028 1.961 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.887 -11.587 0.587 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.912 -12.914 1.097 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.343 -11.481 -1.076 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.582 -12.256 -0.211 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.290 -10.600 0.024 1.00 21.93 H new ATOM 190 N THR A 12 -3.461 -11.231 5.180 1.00 9.63 N ATOM 191 CA THR A 12 -2.097 -10.891 4.745 1.00 9.85 C ATOM 192 C THR A 12 -2.002 -11.199 3.273 1.00 11.66 C ATOM 193 O THR A 12 -2.278 -12.278 2.804 1.00 12.33 O ATOM 194 CB THR A 12 -0.981 -11.615 5.505 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.057 -11.424 6.884 1.00 10.91 O ATOM 196 CG2 THR A 12 0.424 -11.090 5.046 1.00 9.63 C ATOM 0 H THR A 12 -3.656 -12.232 5.213 1.00 9.63 H new ATOM 0 HA THR A 12 -1.939 -9.834 4.961 1.00 9.85 H new ATOM 0 HB THR A 12 -1.108 -12.674 5.280 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.325 -11.907 7.322 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.206 -11.614 5.596 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.548 -11.269 3.978 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.496 -10.021 5.245 1.00 9.63 H new ATOM 204 N ILE A 13 -1.694 -10.106 2.531 1.00 10.42 N ATOM 205 CA ILE A 13 -1.420 -10.125 1.173 1.00 11.84 C ATOM 206 C ILE A 13 0.115 -9.909 0.935 1.00 10.55 C ATOM 207 O ILE A 13 0.747 -9.057 1.548 1.00 11.92 O ATOM 208 CB ILE A 13 -2.261 -9.114 0.336 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.546 -8.633 1.035 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.366 -9.689 -1.085 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.357 -7.550 0.218 1.00 16.46 C ATOM 0 H ILE A 13 -1.642 -9.170 2.934 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.717 -11.110 0.814 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.766 -8.147 0.246 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.191 -9.492 1.218 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.284 -8.218 2.008 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.949 -9.012 -1.709 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.367 -9.802 -1.507 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.857 -10.662 -1.049 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.247 -7.263 0.778 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.731 -6.672 0.057 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.652 -7.967 -0.745 1.00 16.46 H new ATOM 223 N THR A 14 0.686 -10.720 0.029 1.00 9.39 N ATOM 224 CA THR A 14 2.111 -10.794 -0.132 1.00 9.63 C ATOM 225 C THR A 14 2.290 -10.385 -1.565 1.00 11.20 C ATOM 226 O THR A 14 1.688 -10.966 -2.444 1.00 11.63 O ATOM 227 CB THR A 14 2.634 -12.180 0.214 1.00 10.38 C ATOM 228 OG1 THR A 14 2.411 -12.550 1.590 1.00 16.30 O ATOM 229 CG2 THR A 14 4.115 -12.313 -0.170 1.00 11.66 C ATOM 0 H THR A 14 0.161 -11.330 -0.598 1.00 9.39 H new ATOM 0 HA THR A 14 2.687 -10.155 0.537 1.00 9.63 H new ATOM 0 HB THR A 14 2.054 -12.887 -0.379 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.169 -12.254 2.135 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.469 -13.312 0.086 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.229 -12.151 -1.242 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.700 -11.571 0.373 1.00 11.66 H new ATOM 237 N LEU A 15 2.922 -9.208 -1.777 1.00 8.29 N ATOM 238 CA LEU A 15 3.124 -8.549 -3.078 1.00 9.03 C ATOM 239 C LEU A 15 4.531 -8.529 -3.528 1.00 8.59 C ATOM 240 O LEU A 15 5.368 -8.597 -2.668 1.00 7.79 O ATOM 241 CB LEU A 15 2.707 -7.051 -3.103 1.00 11.08 C ATOM 242 CG LEU A 15 1.366 -6.633 -2.518 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.197 -5.127 -2.964 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.062 -7.361 -2.848 1.00 15.27 C ATOM 0 H LEU A 15 3.322 -8.671 -1.007 1.00 8.29 H new ATOM 0 HA LEU A 15 2.494 -9.158 -3.726 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.480 -6.489 -2.580 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.725 -6.725 -4.143 1.00 11.08 H new ATOM 0 HG LEU A 15 1.460 -6.876 -1.460 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.252 -4.739 -2.585 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.019 -4.534 -2.563 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.203 -5.067 -4.052 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.764 -6.888 -2.317 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.121 -7.311 -3.921 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.140 -8.404 -2.542 1.00 15.27 H new ATOM 256 N GLU A 16 4.865 -8.356 -4.847 1.00 11.04 N ATOM 257 CA GLU A 16 6.180 -8.019 -5.327 1.00 11.50 C ATOM 258 C GLU A 16 6.306 -6.602 -5.968 1.00 10.13 C ATOM 259 O GLU A 16 5.488 -6.149 -6.776 1.00 9.83 O ATOM 260 CB GLU A 16 6.565 -9.036 -6.485 1.00 17.22 C ATOM 261 CG GLU A 16 7.901 -8.804 -7.126 1.00 23.33 C ATOM 262 CD GLU A 16 9.106 -8.824 -6.135 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.179 -9.672 -5.186 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.017 -8.013 -6.377 1.00 28.86 O ATOM 0 H GLU A 16 4.183 -8.458 -5.599 1.00 11.04 H new ATOM 0 HA GLU A 16 6.823 -8.056 -4.448 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.547 -10.047 -6.079 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.797 -8.989 -7.257 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.061 -9.566 -7.889 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.883 -7.841 -7.637 1.00 23.33 H new ATOM 271 N VAL A 17 7.281 -5.818 -5.413 1.00 8.99 N ATOM 272 CA VAL A 17 7.340 -4.376 -5.598 1.00 8.85 C ATOM 273 C VAL A 17 8.792 -4.067 -5.731 1.00 8.04 C ATOM 274 O VAL A 17 9.664 -4.756 -5.193 1.00 8.99 O ATOM 275 CB VAL A 17 6.829 -3.516 -4.432 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.271 -3.710 -4.276 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.475 -3.836 -3.112 1.00 10.54 C ATOM 0 H VAL A 17 8.033 -6.189 -4.832 1.00 8.99 H new ATOM 0 HA VAL A 17 6.700 -4.137 -6.447 1.00 8.85 H new ATOM 0 HB VAL A 17 7.088 -2.487 -4.682 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.909 -3.100 -3.449 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.773 -3.406 -5.196 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.053 -4.759 -4.075 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.063 -3.188 -2.339 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.281 -4.877 -2.855 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.551 -3.675 -3.185 1.00 10.54 H new ATOM 287 N GLU A 18 9.134 -2.934 -6.361 1.00 7.29 N ATOM 288 CA GLU A 18 10.490 -2.419 -6.274 1.00 7.08 C ATOM 289 C GLU A 18 10.496 -1.262 -5.365 1.00 6.45 C ATOM 290 O GLU A 18 9.400 -0.702 -5.203 1.00 5.28 O ATOM 291 CB GLU A 18 10.923 -1.902 -7.646 1.00 10.28 C ATOM 292 CG GLU A 18 11.173 -2.984 -8.748 1.00 12.65 C ATOM 293 CD GLU A 18 12.207 -3.984 -8.344 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.283 -3.523 -7.855 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.969 -5.169 -8.596 1.00 18.17 O ATOM 0 H GLU A 18 8.496 -2.372 -6.925 1.00 7.29 H new ATOM 0 HA GLU A 18 11.154 -3.210 -5.925 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.159 -1.214 -8.009 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.839 -1.324 -7.520 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.238 -3.500 -8.964 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.487 -2.494 -9.669 1.00 12.65 H new ATOM 302 N PRO A 19 11.562 -0.758 -4.705 1.00 7.24 N ATOM 303 CA PRO A 19 11.542 0.539 -4.008 1.00 7.07 C ATOM 304 C PRO A 19 11.472 1.747 -4.973 1.00 6.65 C ATOM 305 O PRO A 19 11.215 2.833 -4.430 1.00 6.37 O ATOM 306 CB PRO A 19 12.804 0.469 -3.170 1.00 7.61 C ATOM 307 CG PRO A 19 13.798 -0.247 -4.055 1.00 8.16 C ATOM 308 CD PRO A 19 12.898 -1.406 -4.597 1.00 7.49 C ATOM 0 HA PRO A 19 10.651 0.702 -3.402 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.157 1.464 -2.898 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.635 -0.074 -2.240 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.180 0.391 -4.852 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.661 -0.615 -3.499 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.249 -1.774 -5.561 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.881 -2.258 -3.917 1.00 7.49 H new ATOM 316 N SER A 20 11.684 1.599 -6.295 1.00 6.80 N ATOM 317 CA SER A 20 11.448 2.638 -7.306 1.00 6.28 C ATOM 318 C SER A 20 10.123 2.457 -8.017 1.00 8.45 C ATOM 319 O SER A 20 9.957 3.149 -9.085 1.00 7.26 O ATOM 320 CB SER A 20 12.587 2.660 -8.390 1.00 8.57 C ATOM 321 OG SER A 20 13.751 3.291 -7.809 1.00 11.13 O ATOM 0 H SER A 20 12.034 0.729 -6.696 1.00 6.80 H new ATOM 0 HA SER A 20 11.436 3.581 -6.760 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.825 1.646 -8.712 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.260 3.207 -9.274 1.00 8.57 H new ATOM 0 HG SER A 20 14.475 3.313 -8.469 1.00 11.13 H new ATOM 327 N ASP A 21 9.120 1.682 -7.411 1.00 7.50 N ATOM 328 CA ASP A 21 7.737 1.646 -7.823 1.00 7.70 C ATOM 329 C ASP A 21 7.099 2.804 -6.982 1.00 7.08 C ATOM 330 O ASP A 21 7.523 3.107 -5.850 1.00 8.11 O ATOM 331 CB ASP A 21 7.016 0.332 -7.492 1.00 11.00 C ATOM 332 CG ASP A 21 7.136 -0.750 -8.487 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.008 -0.403 -9.671 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.255 -1.952 -8.131 1.00 18.03 O ATOM 0 H ASP A 21 9.310 1.074 -6.614 1.00 7.50 H new ATOM 0 HA ASP A 21 7.652 1.742 -8.905 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.397 -0.036 -6.539 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.957 0.549 -7.350 1.00 11.00 H new ATOM 339 N THR A 22 6.097 3.555 -7.521 1.00 5.37 N ATOM 340 CA THR A 22 5.305 4.514 -6.763 1.00 6.01 C ATOM 341 C THR A 22 4.299 3.789 -5.926 1.00 8.01 C ATOM 342 O THR A 22 3.994 2.588 -6.102 1.00 8.11 O ATOM 343 CB THR A 22 4.653 5.547 -7.639 1.00 8.92 C ATOM 344 OG1 THR A 22 3.679 5.086 -8.584 1.00 10.22 O ATOM 345 CG2 THR A 22 5.659 6.458 -8.278 1.00 9.65 C ATOM 0 H THR A 22 5.830 3.497 -8.504 1.00 5.37 H new ATOM 0 HA THR A 22 5.982 5.063 -6.108 1.00 6.01 H new ATOM 0 HB THR A 22 4.052 6.115 -6.928 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.328 5.848 -9.090 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.144 7.188 -8.902 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.224 6.977 -7.503 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.341 5.872 -8.894 1.00 9.65 H new ATOM 353 N ILE A 23 3.594 4.497 -5.005 1.00 8.32 N ATOM 354 CA ILE A 23 2.524 3.965 -4.208 1.00 9.92 C ATOM 355 C ILE A 23 1.242 3.754 -5.113 1.00 10.01 C ATOM 356 O ILE A 23 0.571 2.781 -4.959 1.00 8.71 O ATOM 357 CB ILE A 23 2.252 4.820 -2.943 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.580 4.934 -2.092 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.938 4.388 -2.218 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.721 3.676 -1.207 1.00 12.30 C ATOM 0 H ILE A 23 3.782 5.481 -4.812 1.00 8.32 H new ATOM 0 HA ILE A 23 2.821 2.989 -3.823 1.00 9.92 H new ATOM 0 HB ILE A 23 2.015 5.853 -3.198 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.443 5.029 -2.752 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.553 5.830 -1.471 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.786 5.013 -1.338 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.093 4.505 -2.896 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.017 3.344 -1.913 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.635 3.747 -0.617 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.863 3.603 -0.539 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.765 2.789 -1.839 1.00 12.30 H new ATOM 372 N GLU A 24 1.071 4.523 -6.172 1.00 9.54 N ATOM 373 CA GLU A 24 0.078 4.313 -7.175 1.00 11.81 C ATOM 374 C GLU A 24 0.129 3.001 -7.838 1.00 11.14 C ATOM 375 O GLU A 24 -0.891 2.305 -8.027 1.00 10.62 O ATOM 376 CB GLU A 24 0.201 5.385 -8.231 1.00 19.24 C ATOM 377 CG GLU A 24 -0.841 5.162 -9.425 1.00 27.76 C ATOM 378 CD GLU A 24 -0.718 6.314 -10.308 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.249 7.419 -10.060 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.154 6.123 -11.418 1.00 36.51 O ATOM 0 H GLU A 24 1.652 5.342 -6.352 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.876 4.354 -6.649 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.033 6.362 -7.779 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.216 5.389 -8.629 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.623 4.238 -9.961 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.857 5.076 -9.041 1.00 27.76 H new ATOM 387 N ASN A 25 1.383 2.514 -8.152 1.00 9.43 N ATOM 388 CA ASN A 25 1.683 1.172 -8.550 1.00 10.96 C ATOM 389 C ASN A 25 1.517 0.038 -7.524 1.00 9.68 C ATOM 390 O ASN A 25 1.111 -1.072 -7.845 1.00 9.33 O ATOM 391 CB ASN A 25 3.154 1.065 -9.008 1.00 16.78 C ATOM 392 CG ASN A 25 3.515 1.766 -10.302 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.712 2.475 -10.868 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.817 1.784 -10.622 1.00 24.70 N ATOM 0 H ASN A 25 2.213 3.105 -8.119 1.00 9.43 H new ATOM 0 HA ASN A 25 0.928 1.016 -9.321 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.787 1.465 -8.216 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.402 0.009 -9.112 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.153 2.405 -11.358 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.472 1.177 -10.129 1.00 24.70 H new ATOM 401 N VAL A 26 1.857 0.346 -6.250 1.00 6.52 N ATOM 402 CA VAL A 26 1.627 -0.579 -5.124 1.00 5.53 C ATOM 403 C VAL A 26 0.154 -0.793 -4.900 1.00 4.42 C ATOM 404 O VAL A 26 -0.295 -1.963 -4.703 1.00 3.40 O ATOM 405 CB VAL A 26 2.324 -0.111 -3.859 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.061 -0.948 -2.586 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.807 -0.174 -4.159 1.00 8.12 C ATOM 0 H VAL A 26 2.291 1.229 -5.980 1.00 6.52 H new ATOM 0 HA VAL A 26 2.068 -1.540 -5.389 1.00 5.53 H new ATOM 0 HB VAL A 26 1.935 0.880 -3.628 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.611 -0.519 -1.748 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.994 -0.943 -2.361 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.392 -1.973 -2.750 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.369 0.152 -3.284 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.085 -1.198 -4.408 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.036 0.479 -5.001 1.00 8.12 H new ATOM 417 N LYS A 27 -0.678 0.196 -5.004 1.00 2.64 N ATOM 418 CA LYS A 27 -2.093 0.126 -4.974 1.00 4.14 C ATOM 419 C LYS A 27 -2.637 -0.532 -6.224 1.00 5.58 C ATOM 420 O LYS A 27 -3.636 -1.237 -6.144 1.00 4.11 O ATOM 421 CB LYS A 27 -2.716 1.565 -4.925 1.00 3.97 C ATOM 422 CG LYS A 27 -2.390 2.412 -3.740 1.00 7.45 C ATOM 423 CD LYS A 27 -3.263 3.667 -3.646 1.00 9.02 C ATOM 424 CE LYS A 27 -2.919 4.565 -2.401 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.889 5.674 -2.436 1.00 15.47 N ATOM 0 H LYS A 27 -0.348 1.154 -5.122 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.356 -0.452 -4.088 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.399 2.101 -5.820 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.800 1.465 -4.980 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.513 1.821 -2.832 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.342 2.707 -3.788 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.142 4.255 -4.556 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.311 3.371 -3.595 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.003 3.999 -1.473 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.896 4.937 -2.456 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.830 6.215 -1.550 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.672 6.299 -3.238 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.850 5.291 -2.545 1.00 15.47 H new ATOM 439 N ALA A 28 -1.917 -0.500 -7.393 1.00 6.61 N ATOM 440 CA ALA A 28 -2.390 -1.149 -8.609 1.00 7.74 C ATOM 441 C ALA A 28 -2.355 -2.700 -8.465 1.00 9.17 C ATOM 442 O ALA A 28 -3.369 -3.387 -8.749 1.00 11.45 O ATOM 443 CB ALA A 28 -1.543 -0.818 -9.879 1.00 7.68 C ATOM 0 H ALA A 28 -1.018 -0.029 -7.492 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.402 -0.764 -8.738 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.960 -1.339 -10.741 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.564 0.257 -10.060 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.513 -1.140 -9.724 1.00 7.68 H new ATOM 449 N LYS A 29 -1.272 -3.188 -7.823 1.00 8.96 N ATOM 450 CA LYS A 29 -1.037 -4.522 -7.350 1.00 7.90 C ATOM 451 C LYS A 29 -2.069 -4.904 -6.285 1.00 6.92 C ATOM 452 O LYS A 29 -2.575 -6.011 -6.400 1.00 6.87 O ATOM 453 CB LYS A 29 0.413 -4.857 -6.879 1.00 10.28 C ATOM 454 CG LYS A 29 1.410 -4.756 -7.996 1.00 14.94 C ATOM 455 CD LYS A 29 2.837 -4.385 -7.500 1.00 19.69 C ATOM 456 CE LYS A 29 3.884 -3.983 -8.547 1.00 22.63 C ATOM 457 NZ LYS A 29 4.273 -5.199 -9.336 1.00 24.98 N ATOM 0 H LYS A 29 -0.479 -2.580 -7.615 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.158 -5.142 -8.238 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.699 -4.177 -6.077 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.435 -5.865 -6.465 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.451 -5.707 -8.527 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.073 -4.006 -8.711 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.740 -3.562 -6.792 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.230 -5.238 -6.946 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.480 -3.217 -9.209 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.759 -3.554 -8.059 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.878 -4.916 -10.134 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.794 -5.858 -8.723 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.417 -5.666 -9.699 1.00 24.98 H new ATOM 471 N ILE A 30 -2.423 -4.073 -5.306 1.00 4.57 N ATOM 472 CA ILE A 30 -3.542 -4.250 -4.389 1.00 5.58 C ATOM 473 C ILE A 30 -4.903 -4.345 -5.135 1.00 7.26 C ATOM 474 O ILE A 30 -5.775 -5.144 -4.729 1.00 9.46 O ATOM 475 CB ILE A 30 -3.553 -3.322 -3.149 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.206 -3.413 -2.482 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.648 -3.617 -2.105 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.990 -2.284 -1.500 1.00 2.00 C ATOM 0 H ILE A 30 -1.907 -3.212 -5.123 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.372 -5.225 -3.933 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.777 -2.323 -3.524 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.121 -4.368 -1.963 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.423 -3.391 -3.240 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.564 -2.909 -1.280 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.629 -3.519 -2.569 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.526 -4.632 -1.726 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.007 -2.385 -1.040 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.049 -1.330 -2.024 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.758 -2.322 -0.727 1.00 2.00 H new ATOM 490 N GLN A 31 -5.148 -3.571 -6.150 1.00 7.06 N ATOM 491 CA GLN A 31 -6.438 -3.476 -6.810 1.00 8.67 C ATOM 492 C GLN A 31 -6.745 -4.732 -7.615 1.00 10.90 C ATOM 493 O GLN A 31 -7.863 -5.284 -7.708 1.00 9.63 O ATOM 494 CB GLN A 31 -6.495 -2.311 -7.790 1.00 9.12 C ATOM 495 CG GLN A 31 -7.894 -2.196 -8.558 1.00 10.76 C ATOM 496 CD GLN A 31 -7.783 -1.032 -9.556 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.733 -0.437 -9.867 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.961 -0.619 -10.059 1.00 14.76 N ATOM 0 H GLN A 31 -4.440 -2.964 -6.563 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.163 -3.336 -6.009 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.307 -1.382 -7.251 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.695 -2.422 -8.522 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.122 -3.126 -9.079 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.705 -2.019 -7.852 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.822 -1.104 -9.806 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.993 0.179 -10.693 1.00 14.76 H new ATOM 507 N ASP A 32 -5.640 -5.257 -8.162 1.00 10.93 N ATOM 508 CA ASP A 32 -5.624 -6.555 -8.856 1.00 14.01 C ATOM 509 C ASP A 32 -5.861 -7.757 -7.921 1.00 14.04 C ATOM 510 O ASP A 32 -6.427 -8.747 -8.304 1.00 13.39 O ATOM 511 CB ASP A 32 -4.228 -6.692 -9.568 1.00 18.01 C ATOM 512 CG ASP A 32 -4.246 -7.820 -10.540 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.207 -7.896 -11.358 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.336 -8.685 -10.428 1.00 25.17 O ATOM 0 H ASP A 32 -4.731 -4.795 -8.137 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.448 -6.572 -9.569 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.984 -5.763 -10.084 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.449 -6.858 -8.824 1.00 18.01 H new ATOM 519 N LYS A 33 -5.337 -7.725 -6.667 1.00 14.22 N ATOM 520 CA LYS A 33 -5.627 -8.686 -5.623 1.00 14.00 C ATOM 521 C LYS A 33 -7.015 -8.580 -5.010 1.00 12.37 C ATOM 522 O LYS A 33 -7.591 -9.641 -4.751 1.00 12.17 O ATOM 523 CB LYS A 33 -4.684 -8.456 -4.359 1.00 18.62 C ATOM 524 CG LYS A 33 -3.234 -8.741 -4.507 1.00 24.00 C ATOM 525 CD LYS A 33 -2.887 -10.194 -4.917 1.00 27.61 C ATOM 526 CE LYS A 33 -1.432 -10.472 -4.959 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.201 -11.892 -5.346 1.00 30.06 N ATOM 0 H LYS A 33 -4.685 -7.000 -6.368 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.496 -9.638 -6.138 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.790 -7.416 -4.049 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.063 -9.072 -3.544 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.820 -8.061 -5.252 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.738 -8.518 -3.562 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.359 -10.882 -4.216 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.315 -10.397 -5.899 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.946 -9.807 -5.673 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.986 -10.274 -3.984 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.179 -12.082 -5.374 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.651 -12.519 -4.649 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.612 -12.067 -6.285 1.00 30.06 H new ATOM 541 N GLU A 34 -7.588 -7.369 -4.770 1.00 10.11 N ATOM 542 CA GLU A 34 -8.785 -7.279 -3.950 1.00 10.07 C ATOM 543 C GLU A 34 -9.975 -6.462 -4.559 1.00 9.32 C ATOM 544 O GLU A 34 -11.005 -6.379 -3.938 1.00 11.61 O ATOM 545 CB GLU A 34 -8.400 -6.506 -2.653 1.00 14.77 C ATOM 546 CG GLU A 34 -7.356 -7.230 -1.795 1.00 18.75 C ATOM 547 CD GLU A 34 -7.625 -8.614 -1.380 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.542 -8.912 -0.506 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.885 -9.503 -1.924 1.00 25.19 O ATOM 0 H GLU A 34 -7.240 -6.480 -5.128 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.120 -8.308 -3.820 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.016 -5.523 -2.926 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.298 -6.343 -2.057 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.415 -7.226 -2.345 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.200 -6.638 -0.893 1.00 18.75 H new ATOM 556 N GLY A 35 -9.915 -5.873 -5.700 1.00 7.22 N ATOM 557 CA GLY A 35 -10.968 -5.100 -6.339 1.00 6.29 C ATOM 558 C GLY A 35 -11.153 -3.671 -5.898 1.00 6.93 C ATOM 559 O GLY A 35 -11.989 -2.895 -6.459 1.00 7.41 O ATOM 0 H GLY A 35 -9.071 -5.910 -6.271 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.778 -5.098 -7.412 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.911 -5.624 -6.183 1.00 6.29 H new ATOM 563 N ILE A 36 -10.318 -3.287 -4.914 1.00 5.86 N ATOM 564 CA ILE A 36 -10.273 -2.004 -4.276 1.00 6.07 C ATOM 565 C ILE A 36 -9.746 -0.917 -5.185 1.00 6.36 C ATOM 566 O ILE A 36 -8.647 -1.015 -5.634 1.00 6.18 O ATOM 567 CB ILE A 36 -9.536 -1.984 -2.955 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.982 -3.104 -1.959 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.767 -0.668 -2.216 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.980 -3.325 -0.809 1.00 9.49 C ATOM 0 H ILE A 36 -9.619 -3.925 -4.535 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.318 -1.793 -4.051 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.493 -2.134 -3.235 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.954 -2.844 -1.541 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.110 -4.038 -2.506 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.225 -0.682 -1.270 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.409 0.160 -2.827 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.832 -0.542 -2.022 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.347 -4.114 -0.153 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.013 -3.615 -1.220 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.870 -2.402 -0.240 1.00 9.49 H new ATOM 582 N PRO A 37 -10.424 0.208 -5.507 1.00 8.65 N ATOM 583 CA PRO A 37 -9.819 1.317 -6.338 1.00 9.18 C ATOM 584 C PRO A 37 -8.706 2.102 -5.620 1.00 9.85 C ATOM 585 O PRO A 37 -8.808 2.262 -4.415 1.00 8.51 O ATOM 586 CB PRO A 37 -11.030 2.247 -6.670 1.00 11.42 C ATOM 587 CG PRO A 37 -12.216 1.350 -6.587 1.00 9.27 C ATOM 588 CD PRO A 37 -11.874 0.418 -5.393 1.00 8.33 C ATOM 0 HA PRO A 37 -9.323 0.910 -7.219 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.104 3.072 -5.961 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.933 2.688 -7.662 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.133 1.911 -6.410 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.360 0.787 -7.509 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.137 0.878 -4.440 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.419 -0.524 -5.453 1.00 8.33 H new ATOM 596 N PRO A 38 -7.669 2.644 -6.221 1.00 8.71 N ATOM 597 CA PRO A 38 -6.614 3.406 -5.486 1.00 9.08 C ATOM 598 C PRO A 38 -7.110 4.544 -4.654 1.00 9.28 C ATOM 599 O PRO A 38 -6.502 4.843 -3.681 1.00 6.50 O ATOM 600 CB PRO A 38 -5.594 3.780 -6.641 1.00 10.31 C ATOM 601 CG PRO A 38 -5.687 2.606 -7.685 1.00 10.81 C ATOM 602 CD PRO A 38 -7.126 2.043 -7.456 1.00 12.00 C ATOM 0 HA PRO A 38 -6.143 2.824 -4.694 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.854 4.734 -7.100 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.581 3.879 -6.252 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.551 2.963 -8.706 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.924 1.848 -7.508 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.766 2.279 -8.306 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.099 0.957 -7.370 1.00 12.00 H new ATOM 610 N ASP A 39 -8.253 5.173 -5.007 1.00 11.20 N ATOM 611 CA ASP A 39 -8.734 6.359 -4.251 1.00 14.96 C ATOM 612 C ASP A 39 -9.460 5.875 -2.976 1.00 13.99 C ATOM 613 O ASP A 39 -9.817 6.696 -2.124 1.00 13.75 O ATOM 614 CB ASP A 39 -9.643 7.248 -5.136 1.00 24.16 C ATOM 615 CG ASP A 39 -8.955 8.032 -6.174 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.578 7.446 -7.205 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.759 9.239 -5.975 1.00 34.22 O ATOM 0 H ASP A 39 -8.847 4.893 -5.787 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.887 6.979 -3.957 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.383 6.611 -5.619 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.188 7.936 -4.489 1.00 24.16 H new ATOM 622 N GLN A 40 -9.735 4.595 -2.834 1.00 11.60 N ATOM 623 CA GLN A 40 -10.263 3.990 -1.647 1.00 10.76 C ATOM 624 C GLN A 40 -9.272 3.325 -0.786 1.00 8.01 C ATOM 625 O GLN A 40 -9.498 2.771 0.234 1.00 8.96 O ATOM 626 CB GLN A 40 -11.384 2.917 -1.989 1.00 11.14 C ATOM 627 CG GLN A 40 -12.748 3.483 -2.367 1.00 14.85 C ATOM 628 CD GLN A 40 -13.808 2.392 -2.535 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.295 1.924 -3.563 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.214 1.916 -1.329 1.00 18.16 N ATOM 0 H GLN A 40 -9.586 3.922 -3.586 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.668 4.838 -1.095 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.028 2.297 -2.811 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.509 2.262 -1.127 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.072 4.185 -1.599 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.660 4.046 -3.296 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.817 2.297 -0.470 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.916 1.178 -1.282 1.00 18.16 H new ATOM 639 N GLN A 41 -7.956 3.370 -1.168 1.00 6.52 N ATOM 640 CA GLN A 41 -6.915 2.625 -0.464 1.00 3.87 C ATOM 641 C GLN A 41 -6.194 3.686 0.359 1.00 4.79 C ATOM 642 O GLN A 41 -5.562 4.566 -0.214 1.00 6.34 O ATOM 643 CB GLN A 41 -5.870 1.947 -1.357 1.00 4.20 C ATOM 644 CG GLN A 41 -6.455 0.816 -2.229 1.00 3.20 C ATOM 645 CD GLN A 41 -5.427 0.124 -3.130 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.291 -0.148 -2.721 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.799 -0.264 -4.365 1.00 7.13 N ATOM 0 H GLN A 41 -7.615 3.918 -1.958 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.385 1.814 0.093 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.414 2.696 -2.004 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.076 1.540 -0.731 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.912 0.070 -1.579 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.250 1.226 -2.852 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.734 -0.043 -4.709 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.146 -0.778 -4.956 1.00 7.13 H new ATOM 656 N ARG A 42 -6.283 3.543 1.718 1.00 5.73 N ATOM 657 CA ARG A 42 -5.431 4.247 2.637 1.00 6.97 C ATOM 658 C ARG A 42 -4.354 3.256 3.098 1.00 7.15 C ATOM 659 O ARG A 42 -4.587 2.286 3.767 1.00 7.33 O ATOM 660 CB ARG A 42 -6.192 4.757 3.852 1.00 13.23 C ATOM 661 CG ARG A 42 -7.121 5.941 3.501 1.00 21.27 C ATOM 662 CD ARG A 42 -7.788 6.407 4.807 1.00 26.14 C ATOM 663 NE ARG A 42 -8.314 7.761 4.581 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.323 8.356 5.234 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.103 7.622 6.035 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.611 9.551 4.960 1.00 36.39 N ATOM 0 H ARG A 42 -6.958 2.928 2.172 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.006 5.117 2.137 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.784 3.946 4.275 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.483 5.068 4.619 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.552 6.754 3.049 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.873 5.636 2.774 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.591 5.727 5.090 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.068 6.408 5.625 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.862 8.307 3.848 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.927 6.623 6.143 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.874 8.061 6.538 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.079 10.054 4.249 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.376 10.016 5.449 1.00 36.39 H new ATOM 680 N LEU A 43 -3.115 3.503 2.651 1.00 4.65 N ATOM 681 CA LEU A 43 -1.979 2.710 3.004 1.00 3.51 C ATOM 682 C LEU A 43 -1.206 3.393 4.088 1.00 5.56 C ATOM 683 O LEU A 43 -0.856 4.549 4.093 1.00 4.19 O ATOM 684 CB LEU A 43 -1.057 2.341 1.833 1.00 3.74 C ATOM 685 CG LEU A 43 -1.580 1.389 0.751 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.318 0.984 -0.113 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.125 0.063 1.368 1.00 6.41 C ATOM 0 H LEU A 43 -2.894 4.277 2.025 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.377 1.758 3.356 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.761 3.268 1.342 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.153 1.899 2.252 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.377 1.878 0.191 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.624 0.302 -0.907 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.124 1.878 -0.553 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.417 0.492 0.525 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.487 -0.587 0.572 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.326 -0.440 1.912 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.943 0.289 2.052 1.00 6.41 H new ATOM 699 N ILE A 44 -0.925 2.613 5.158 1.00 4.58 N ATOM 700 CA ILE A 44 -0.364 3.021 6.394 1.00 5.55 C ATOM 701 C ILE A 44 0.891 2.238 6.613 1.00 5.46 C ATOM 702 O ILE A 44 0.963 1.017 6.460 1.00 6.04 O ATOM 703 CB ILE A 44 -1.340 2.978 7.591 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.778 3.486 7.308 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.656 3.596 8.851 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.829 5.001 7.063 1.00 13.90 C ATOM 0 H ILE A 44 -1.113 1.611 5.141 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.126 4.083 6.332 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.540 1.927 7.801 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.178 2.967 6.437 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.421 3.236 8.152 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.347 3.564 9.693 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.240 3.025 9.095 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.382 4.631 8.646 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.858 5.304 6.870 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.456 5.525 7.943 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.210 5.251 6.202 1.00 13.90 H new ATOM 718 N PHE A 45 1.984 2.962 6.843 1.00 6.75 N ATOM 719 CA PHE A 45 3.261 2.425 7.317 1.00 4.70 C ATOM 720 C PHE A 45 3.698 3.241 8.499 1.00 6.34 C ATOM 721 O PHE A 45 3.795 4.464 8.352 1.00 5.45 O ATOM 722 CB PHE A 45 4.396 2.515 6.165 1.00 5.51 C ATOM 723 CG PHE A 45 5.628 1.813 6.491 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.500 0.426 6.620 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.834 2.446 6.835 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.608 -0.382 7.014 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.837 1.731 7.447 1.00 6.64 C ATOM 728 CZ PHE A 45 7.759 0.317 7.474 1.00 6.84 C ATOM 0 H PHE A 45 2.008 3.972 6.700 1.00 6.75 H new ATOM 0 HA PHE A 45 3.131 1.377 7.586 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.992 2.107 5.239 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.626 3.564 5.978 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.547 -0.041 6.418 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.974 3.495 6.619 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.575 -1.460 6.966 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.673 2.241 7.901 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.598 -0.247 7.855 1.00 6.84 H new ATOM 738 N ALA A 46 3.987 2.541 9.618 1.00 6.53 N ATOM 739 CA ALA A 46 4.579 2.986 10.888 1.00 7.15 C ATOM 740 C ALA A 46 3.697 4.057 11.504 1.00 9.00 C ATOM 741 O ALA A 46 4.149 5.112 11.994 1.00 11.15 O ATOM 742 CB ALA A 46 6.040 3.282 10.799 1.00 8.99 C ATOM 0 H ALA A 46 3.787 1.541 9.651 1.00 6.53 H new ATOM 0 HA ALA A 46 4.586 2.160 11.599 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.406 3.604 11.774 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.575 2.384 10.489 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.207 4.074 10.069 1.00 8.99 H new ATOM 748 N GLY A 47 2.388 3.848 11.529 1.00 9.35 N ATOM 749 CA GLY A 47 1.402 4.857 11.852 1.00 11.68 C ATOM 750 C GLY A 47 0.979 5.933 10.853 1.00 11.14 C ATOM 751 O GLY A 47 0.053 6.701 11.200 1.00 13.93 O ATOM 0 H GLY A 47 1.975 2.940 11.317 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.495 4.327 12.144 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.766 5.378 12.738 1.00 11.68 H new ATOM 755 N LYS A 48 1.651 6.085 9.698 1.00 10.47 N ATOM 756 CA LYS A 48 1.568 7.268 8.874 1.00 8.82 C ATOM 757 C LYS A 48 1.090 6.990 7.455 1.00 7.68 C ATOM 758 O LYS A 48 1.505 6.121 6.794 1.00 6.47 O ATOM 759 CB LYS A 48 2.981 7.883 8.812 1.00 9.74 C ATOM 760 CG LYS A 48 3.101 9.123 7.907 1.00 14.14 C ATOM 761 CD LYS A 48 4.506 9.784 8.109 1.00 16.32 C ATOM 762 CE LYS A 48 4.606 11.129 7.399 1.00 20.04 C ATOM 763 NZ LYS A 48 5.978 11.666 7.400 1.00 23.92 N ATOM 0 H LYS A 48 2.272 5.369 9.320 1.00 10.47 H new ATOM 0 HA LYS A 48 0.834 7.939 9.320 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.289 8.155 9.822 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.679 7.123 8.460 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.968 8.839 6.863 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.313 9.838 8.145 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.694 9.920 9.174 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.280 9.115 7.732 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.263 11.020 6.370 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.939 11.843 7.883 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.993 12.581 6.906 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.299 11.797 8.381 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.612 11.000 6.914 1.00 23.92 H new ATOM 777 N GLN A 49 0.138 7.718 6.959 1.00 8.89 N ATOM 778 CA GLN A 49 -0.393 7.463 5.684 1.00 7.18 C ATOM 779 C GLN A 49 0.476 7.934 4.496 1.00 8.23 C ATOM 780 O GLN A 49 0.992 9.065 4.461 1.00 9.70 O ATOM 781 CB GLN A 49 -1.713 8.189 5.528 1.00 11.67 C ATOM 782 CG GLN A 49 -2.604 7.681 4.360 1.00 15.82 C ATOM 783 CD GLN A 49 -3.979 8.285 4.384 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.877 7.809 5.107 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.277 9.319 3.544 1.00 20.67 N ATOM 0 H GLN A 49 -0.286 8.509 7.443 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.470 6.377 5.643 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.273 8.099 6.459 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.512 9.250 5.378 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.123 7.917 3.411 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.686 6.595 4.415 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.551 9.717 2.948 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.225 9.694 3.513 1.00 20.67 H new ATOM 794 N LEU A 50 0.649 6.998 3.515 1.00 6.51 N ATOM 795 CA LEU A 50 1.544 7.194 2.353 1.00 7.41 C ATOM 796 C LEU A 50 0.889 7.772 1.118 1.00 8.27 C ATOM 797 O LEU A 50 -0.321 7.626 1.005 1.00 8.34 O ATOM 798 CB LEU A 50 2.121 5.811 1.916 1.00 7.13 C ATOM 799 CG LEU A 50 2.781 4.972 3.016 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.385 3.671 2.441 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.795 5.759 3.785 1.00 9.11 C ATOM 0 H LEU A 50 0.172 6.096 3.515 1.00 6.51 H new ATOM 0 HA LEU A 50 2.292 7.906 2.701 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.312 5.226 1.478 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.855 5.980 1.128 1.00 7.13 H new ATOM 0 HG LEU A 50 2.000 4.689 3.721 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.846 3.097 3.245 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.597 3.078 1.978 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.139 3.919 1.694 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.239 5.127 4.555 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.575 6.108 3.108 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.311 6.616 4.254 1.00 9.11 H new ATOM 813 N GLU A 51 1.636 8.480 0.228 1.00 9.43 N ATOM 814 CA GLU A 51 1.044 9.344 -0.772 1.00 11.90 C ATOM 815 C GLU A 51 1.223 8.724 -2.092 1.00 11.49 C ATOM 816 O GLU A 51 2.264 8.214 -2.544 1.00 9.88 O ATOM 817 CB GLU A 51 1.741 10.760 -0.822 1.00 16.56 C ATOM 818 CG GLU A 51 1.330 11.675 -1.959 1.00 26.06 C ATOM 819 CD GLU A 51 1.872 13.070 -1.927 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.511 13.853 -1.022 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.646 13.370 -2.885 1.00 32.13 O ATOM 0 H GLU A 51 2.655 8.453 0.202 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.007 9.476 -0.513 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.540 11.273 0.119 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.819 10.608 -0.878 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.637 11.212 -2.897 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.242 11.733 -1.973 1.00 26.06 H new ATOM 828 N ASP A 52 0.134 8.693 -2.883 1.00 12.71 N ATOM 829 CA ASP A 52 0.101 8.125 -4.179 1.00 16.56 C ATOM 830 C ASP A 52 1.337 8.298 -5.135 1.00 15.83 C ATOM 831 O ASP A 52 1.961 7.297 -5.589 1.00 17.21 O ATOM 832 CB ASP A 52 -1.191 8.561 -4.834 1.00 21.05 C ATOM 833 CG ASP A 52 -2.379 8.172 -4.004 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.698 8.737 -2.942 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.070 7.201 -4.484 1.00 25.82 O ATOM 0 H ASP A 52 -0.763 9.086 -2.596 1.00 12.71 H new ATOM 0 HA ASP A 52 0.161 7.050 -4.010 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.182 9.642 -4.977 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.271 8.109 -5.823 1.00 21.05 H new ATOM 840 N GLY A 53 1.833 9.568 -5.409 1.00 15.00 N ATOM 841 CA GLY A 53 2.843 9.872 -6.436 1.00 11.77 C ATOM 842 C GLY A 53 4.301 9.697 -5.944 1.00 11.10 C ATOM 843 O GLY A 53 5.256 9.886 -6.618 1.00 11.25 O ATOM 0 H GLY A 53 1.521 10.396 -4.902 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.679 9.225 -7.297 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.704 10.898 -6.777 1.00 11.77 H new ATOM 847 N ARG A 54 4.425 9.321 -4.655 1.00 8.53 N ATOM 848 CA ARG A 54 5.689 9.128 -4.031 1.00 9.05 C ATOM 849 C ARG A 54 6.104 7.680 -4.110 1.00 8.96 C ATOM 850 O ARG A 54 5.327 6.808 -4.444 1.00 11.60 O ATOM 851 CB ARG A 54 5.593 9.534 -2.524 1.00 7.97 C ATOM 852 CG ARG A 54 5.144 10.986 -2.258 1.00 9.62 C ATOM 853 CD ARG A 54 6.121 12.135 -2.735 1.00 12.20 C ATOM 854 NE ARG A 54 5.331 13.470 -2.666 1.00 18.23 N ATOM 855 CZ ARG A 54 5.995 14.605 -2.908 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.328 14.690 -2.975 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.364 15.670 -3.272 1.00 23.38 N ATOM 0 H ARG A 54 3.629 9.149 -4.040 1.00 8.53 H new ATOM 0 HA ARG A 54 6.425 9.744 -4.547 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.896 8.859 -2.027 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.568 9.383 -2.061 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.180 11.137 -2.743 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.983 11.101 -1.186 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.004 12.178 -2.098 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.469 11.946 -3.750 1.00 12.20 H new ATOM 0 HE ARG A 54 4.336 13.481 -2.443 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.900 13.857 -2.838 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.773 15.588 -3.163 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.350 15.651 -3.377 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.880 16.531 -3.454 1.00 23.38 H new ATOM 871 N THR A 55 7.352 7.359 -3.836 1.00 9.05 N ATOM 872 CA THR A 55 7.961 6.016 -3.969 1.00 9.03 C ATOM 873 C THR A 55 8.243 5.373 -2.594 1.00 8.15 C ATOM 874 O THR A 55 8.327 5.996 -1.567 1.00 5.91 O ATOM 875 CB THR A 55 9.235 6.014 -4.794 1.00 11.15 C ATOM 876 OG1 THR A 55 10.276 6.756 -4.238 1.00 11.95 O ATOM 877 CG2 THR A 55 9.056 6.595 -6.173 1.00 11.71 C ATOM 0 H THR A 55 8.018 8.052 -3.495 1.00 9.05 H new ATOM 0 HA THR A 55 7.218 5.421 -4.500 1.00 9.03 H new ATOM 0 HB THR A 55 9.479 4.952 -4.826 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.938 7.629 -3.949 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.005 6.562 -6.708 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.312 6.014 -6.719 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.721 7.629 -6.091 1.00 11.71 H new ATOM 885 N LEU A 56 8.454 4.075 -2.569 1.00 6.91 N ATOM 886 CA LEU A 56 8.831 3.375 -1.338 1.00 8.29 C ATOM 887 C LEU A 56 10.277 3.705 -0.897 1.00 8.05 C ATOM 888 O LEU A 56 10.585 3.629 0.316 1.00 10.17 O ATOM 889 CB LEU A 56 8.624 1.916 -1.553 1.00 6.60 C ATOM 890 CG LEU A 56 7.131 1.399 -1.742 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.257 -0.049 -2.307 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.439 1.368 -0.401 1.00 8.64 C ATOM 0 H LEU A 56 8.373 3.471 -3.387 1.00 6.91 H new ATOM 0 HA LEU A 56 8.199 3.714 -0.517 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.194 1.623 -2.435 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.057 1.387 -0.704 1.00 6.60 H new ATOM 0 HG LEU A 56 6.554 2.042 -2.406 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.262 -0.467 -2.462 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.792 -0.024 -3.257 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.805 -0.670 -1.598 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.416 1.014 -0.528 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.975 0.696 0.270 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.426 2.371 0.025 1.00 8.64 H new ATOM 904 N SER A 57 11.116 4.198 -1.843 1.00 8.92 N ATOM 905 CA SER A 57 12.402 4.808 -1.575 1.00 9.00 C ATOM 906 C SER A 57 12.254 6.226 -0.962 1.00 9.44 C ATOM 907 O SER A 57 13.162 6.764 -0.359 1.00 10.91 O ATOM 908 CB SER A 57 13.195 5.022 -2.901 1.00 10.32 C ATOM 909 OG SER A 57 14.535 5.501 -2.632 1.00 13.59 O ATOM 0 H SER A 57 10.890 4.171 -2.837 1.00 8.92 H new ATOM 0 HA SER A 57 12.912 4.132 -0.888 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.244 4.085 -3.455 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.669 5.738 -3.532 1.00 10.32 H new ATOM 0 HG SER A 57 15.014 5.626 -3.478 1.00 13.59 H new ATOM 915 N ASP A 58 11.032 6.865 -1.011 1.00 9.11 N ATOM 916 CA ASP A 58 10.791 8.081 -0.347 1.00 7.91 C ATOM 917 C ASP A 58 10.712 7.866 1.165 1.00 9.12 C ATOM 918 O ASP A 58 11.222 8.587 1.976 1.00 8.61 O ATOM 919 CB ASP A 58 9.584 8.856 -0.918 1.00 8.41 C ATOM 920 CG ASP A 58 9.891 9.504 -2.232 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.791 10.313 -2.255 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.259 9.212 -3.334 1.00 11.70 O ATOM 0 H ASP A 58 10.228 6.506 -1.525 1.00 9.11 H new ATOM 0 HA ASP A 58 11.646 8.731 -0.536 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.743 8.174 -1.040 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.275 9.619 -0.203 1.00 8.41 H new ATOM 927 N TYR A 59 9.973 6.782 1.581 1.00 7.97 N ATOM 928 CA TYR A 59 9.589 6.397 2.902 1.00 8.45 C ATOM 929 C TYR A 59 10.528 5.316 3.500 1.00 10.98 C ATOM 930 O TYR A 59 10.312 4.965 4.660 1.00 12.95 O ATOM 931 CB TYR A 59 8.204 5.784 2.885 1.00 7.94 C ATOM 932 CG TYR A 59 7.195 6.673 2.325 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.713 7.693 3.137 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.624 6.566 1.042 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.711 8.509 2.707 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.668 7.425 0.568 1.00 6.52 C ATOM 937 CZ TYR A 59 5.188 8.385 1.400 1.00 6.76 C ATOM 938 OH TYR A 59 4.413 9.429 0.834 1.00 7.63 O ATOM 0 H TYR A 59 9.617 6.117 0.895 1.00 7.97 H new ATOM 0 HA TYR A 59 9.633 7.305 3.503 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.228 4.861 2.306 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.919 5.515 3.902 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.138 7.840 4.119 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.957 5.765 0.398 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.311 9.260 3.373 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.304 7.341 -0.445 1.00 6.52 H new ATOM 0 HH TYR A 59 4.948 10.249 0.794 1.00 7.63 H new ATOM 948 N ASN A 60 11.592 4.884 2.745 1.00 12.38 N ATOM 949 CA ASN A 60 12.646 3.946 3.146 1.00 13.94 C ATOM 950 C ASN A 60 12.190 2.580 3.694 1.00 14.16 C ATOM 951 O ASN A 60 12.459 2.234 4.858 1.00 14.26 O ATOM 952 CB ASN A 60 13.803 4.618 3.990 1.00 19.23 C ATOM 953 CG ASN A 60 14.468 5.684 3.119 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.320 5.313 2.346 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.092 6.950 3.210 1.00 24.09 N ATOM 0 H ASN A 60 11.725 5.213 1.789 1.00 12.38 H new ATOM 0 HA ASN A 60 13.086 3.669 2.188 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.401 5.066 4.899 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.533 3.870 4.299 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.526 7.655 2.614 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.369 7.221 3.876 1.00 24.09 H new ATOM 962 N ILE A 61 11.483 1.828 2.877 1.00 11.08 N ATOM 963 CA ILE A 61 10.867 0.529 3.194 1.00 11.78 C ATOM 964 C ILE A 61 11.773 -0.620 2.645 1.00 13.74 C ATOM 965 O ILE A 61 12.171 -0.694 1.479 1.00 14.60 O ATOM 966 CB ILE A 61 9.422 0.439 2.819 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.694 1.506 3.670 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.831 -0.900 3.136 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.178 1.449 3.413 1.00 11.42 C ATOM 0 H ILE A 61 11.305 2.112 1.914 1.00 11.08 H new ATOM 0 HA ILE A 61 10.825 0.414 4.277 1.00 11.78 H new ATOM 0 HB ILE A 61 9.315 0.592 1.745 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.897 1.338 4.728 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.074 2.498 3.426 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.781 -0.912 2.844 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.369 -1.674 2.588 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.913 -1.090 4.206 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.678 2.205 4.018 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.980 1.639 2.358 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.800 0.462 3.680 1.00 11.42 H new ATOM 981 N GLN A 62 12.028 -1.618 3.504 1.00 13.97 N ATOM 982 CA GLN A 62 12.951 -2.740 3.311 1.00 15.52 C ATOM 983 C GLN A 62 12.114 -3.971 3.005 1.00 13.94 C ATOM 984 O GLN A 62 10.890 -3.928 3.036 1.00 12.15 O ATOM 985 CB GLN A 62 13.739 -2.955 4.651 1.00 19.53 C ATOM 986 CG GLN A 62 14.445 -1.698 5.115 1.00 26.38 C ATOM 987 CD GLN A 62 15.206 -2.086 6.382 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.815 -3.061 7.083 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.358 -1.382 6.586 1.00 32.71 N ATOM 0 H GLN A 62 11.563 -1.663 4.411 1.00 13.97 H new ATOM 0 HA GLN A 62 13.653 -2.552 2.499 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.048 -3.287 5.426 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.472 -3.750 4.515 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.126 -1.328 4.349 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.730 -0.901 5.318 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.597 -0.606 5.969 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.979 -1.632 7.355 1.00 32.71 H new ATOM 998 N LYS A 63 12.766 -5.073 2.519 1.00 11.73 N ATOM 999 CA LYS A 63 12.073 -6.307 2.073 1.00 11.97 C ATOM 1000 C LYS A 63 11.366 -6.986 3.249 1.00 10.41 C ATOM 1001 O LYS A 63 11.860 -6.901 4.446 1.00 9.59 O ATOM 1002 CB LYS A 63 13.087 -7.234 1.367 1.00 13.73 C ATOM 1003 CG LYS A 63 14.293 -7.670 2.172 1.00 16.98 C ATOM 1004 CD LYS A 63 15.201 -8.717 1.535 1.00 20.19 C ATOM 1005 CE LYS A 63 15.633 -8.456 0.077 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.575 -7.326 -0.053 1.00 25.97 N ATOM 0 H LYS A 63 13.781 -5.122 2.429 1.00 11.73 H new ATOM 0 HA LYS A 63 11.294 -6.057 1.353 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.557 -8.128 1.038 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.443 -6.727 0.470 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.893 -6.787 2.390 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.941 -8.061 3.127 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.099 -8.808 2.146 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.691 -9.680 1.573 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.097 -9.357 -0.325 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.749 -8.256 -0.528 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.829 -7.199 -1.054 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.127 -6.458 0.303 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.433 -7.524 0.499 1.00 25.97 H new ATOM 1020 N GLU A 64 10.158 -7.522 3.036 1.00 10.04 N ATOM 1021 CA GLU A 64 9.287 -8.198 3.998 1.00 10.94 C ATOM 1022 C GLU A 64 8.755 -7.335 5.115 1.00 9.74 C ATOM 1023 O GLU A 64 8.167 -7.815 6.068 1.00 9.42 O ATOM 1024 CB GLU A 64 9.899 -9.551 4.537 1.00 18.31 C ATOM 1025 CG GLU A 64 10.179 -10.581 3.411 1.00 24.16 C ATOM 1026 CD GLU A 64 10.616 -11.830 4.078 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.685 -11.943 4.738 1.00 32.61 O ATOM 1028 OE2 GLU A 64 9.855 -12.846 3.979 1.00 31.72 O ATOM 0 H GLU A 64 9.732 -7.490 2.110 1.00 10.04 H new ATOM 0 HA GLU A 64 8.407 -8.446 3.405 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.828 -9.338 5.066 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.213 -9.990 5.261 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.284 -10.754 2.813 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.950 -10.214 2.733 1.00 24.16 H new ATOM 1035 N SER A 65 8.909 -5.987 5.012 1.00 6.85 N ATOM 1036 CA SER A 65 8.219 -5.054 5.883 1.00 6.90 C ATOM 1037 C SER A 65 6.786 -5.224 5.584 1.00 4.72 C ATOM 1038 O SER A 65 6.398 -5.587 4.480 1.00 3.91 O ATOM 1039 CB SER A 65 8.593 -3.548 5.525 1.00 7.28 C ATOM 1040 OG SER A 65 10.001 -3.334 5.579 1.00 10.56 O ATOM 0 H SER A 65 9.514 -5.541 4.323 1.00 6.85 H new ATOM 0 HA SER A 65 8.484 -5.244 6.923 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.225 -3.308 4.528 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.094 -2.873 6.220 1.00 7.28 H new ATOM 0 HG SER A 65 10.377 -3.403 4.677 1.00 10.56 H new ATOM 1046 N THR A 66 5.927 -4.994 6.579 1.00 4.48 N ATOM 1047 CA THR A 66 4.487 -5.098 6.422 1.00 3.80 C ATOM 1048 C THR A 66 3.910 -3.697 6.270 1.00 4.60 C ATOM 1049 O THR A 66 4.245 -2.796 7.074 1.00 5.33 O ATOM 1050 CB THR A 66 3.923 -5.741 7.689 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.197 -7.150 7.639 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.398 -5.647 7.706 1.00 3.40 C ATOM 0 H THR A 66 6.219 -4.729 7.520 1.00 4.48 H new ATOM 0 HA THR A 66 4.232 -5.695 5.547 1.00 3.80 H new ATOM 0 HB THR A 66 4.365 -5.238 8.549 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.844 -7.581 8.445 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.015 -6.110 8.615 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.098 -4.600 7.678 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.992 -6.164 6.837 1.00 3.40 H new ATOM 1060 N LEU A 67 3.088 -3.449 5.266 1.00 4.17 N ATOM 1061 CA LEU A 67 2.299 -2.253 5.173 1.00 3.85 C ATOM 1062 C LEU A 67 0.874 -2.623 5.742 1.00 3.80 C ATOM 1063 O LEU A 67 0.463 -3.738 5.728 1.00 5.54 O ATOM 1064 CB LEU A 67 2.206 -1.838 3.707 1.00 7.18 C ATOM 1065 CG LEU A 67 3.334 -0.976 3.185 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.773 -1.516 3.125 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.972 -0.591 1.761 1.00 11.66 C ATOM 0 H LEU A 67 2.954 -4.090 4.484 1.00 4.17 H new ATOM 0 HA LEU A 67 2.731 -1.423 5.731 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.154 -2.740 3.098 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.269 -1.301 3.562 1.00 7.18 H new ATOM 0 HG LEU A 67 3.392 -0.185 3.933 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.433 -0.748 2.722 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.102 -1.788 4.128 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.805 -2.396 2.482 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.760 0.034 1.342 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.863 -1.492 1.157 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.032 -0.039 1.761 1.00 11.66 H new ATOM 1079 N HIS A 68 0.112 -1.606 6.161 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.269 -1.761 6.595 1.00 4.17 C ATOM 1081 C HIS A 68 -2.126 -1.042 5.626 1.00 5.32 C ATOM 1082 O HIS A 68 -1.920 0.073 5.177 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.366 -1.134 7.994 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.761 -1.982 9.051 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.428 -2.854 9.880 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.428 -1.784 9.623 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.622 -3.217 10.896 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.530 -2.582 10.760 1.00 16.30 N ATOM 0 H HIS A 68 0.447 -0.644 6.206 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.588 -2.802 6.639 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.871 -0.163 7.986 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.414 -0.955 8.234 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.191 -1.111 9.261 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.873 -3.908 11.687 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.341 -2.662 11.373 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.186 -1.687 5.233 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.225 -1.244 4.231 1.00 3.97 C ATOM 1098 C LEU A 69 -5.553 -1.089 4.933 1.00 5.07 C ATOM 1099 O LEU A 69 -6.127 -1.952 5.592 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.291 -2.376 3.185 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.433 -2.426 2.163 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.647 -1.146 1.375 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.363 -3.571 1.181 1.00 9.96 C ATOM 0 H LEU A 69 -3.401 -2.611 5.608 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.983 -0.289 3.765 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.357 -2.350 2.623 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.307 -3.319 3.732 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.287 -2.580 2.823 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.475 -1.281 0.679 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.878 -0.331 2.061 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.741 -0.906 0.818 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.213 -3.520 0.501 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.437 -3.504 0.610 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.388 -4.517 1.722 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.166 0.077 4.790 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.468 0.382 5.293 1.00 6.26 C ATOM 1117 C VAL A 70 -8.315 0.854 4.168 1.00 9.22 C ATOM 1118 O VAL A 70 -7.994 1.694 3.310 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.466 1.438 6.395 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.851 1.506 7.061 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.297 1.291 7.476 1.00 8.54 C ATOM 0 H VAL A 70 -5.738 0.860 4.296 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.861 -0.532 5.738 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.248 2.384 5.900 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.840 2.262 7.846 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.601 1.768 6.315 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.094 0.536 7.495 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.383 2.088 8.215 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.380 0.324 7.973 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.330 1.361 6.978 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.536 0.283 4.128 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.580 0.567 3.098 1.00 16.06 C ATOM 1133 C LEU A 71 -11.343 1.835 3.456 1.00 18.09 C ATOM 1134 O LEU A 71 -12.258 1.878 4.286 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.458 -0.691 2.750 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.640 -0.498 1.775 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.036 -0.315 0.413 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.506 -1.778 1.836 1.00 19.57 C ATOM 0 H LEU A 71 -9.839 -0.403 4.820 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.093 0.779 2.147 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.800 -1.453 2.332 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.856 -1.090 3.683 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.267 0.359 2.019 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.829 -0.173 -0.321 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.386 0.560 0.418 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.453 -1.198 0.152 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.353 -1.677 1.158 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.905 -2.638 1.541 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -13.871 -1.922 2.853 1.00 19.57 H new