USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 6 LYS NZ :NH3+ 169:sc= 0.372 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 140:sc= 0.35 USER MOD Set 2.1: A 7 THR OG1 : rot 129:sc= 1.15 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.23 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= -0.627 K(o=-0.63,f=-2.5!) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0.924 (180deg=0.277) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.101 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0536 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.67 (180deg=1.06) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= -0.0112 (180deg=-0.139) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0618 K(o=-0.062,f=-0.86) USER MOD Single : A 41 GLN : amide:sc= 0.39 K(o=0.39,f=-2) 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) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0252 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.406 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 68:sc= 1.45 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.760 -7.138 -5.114 1.00 9.67 N ATOM 2 CA MET A 1 11.658 -7.646 -3.757 1.00 10.38 C ATOM 3 C MET A 1 10.257 -8.009 -3.285 1.00 9.62 C ATOM 4 O MET A 1 9.331 -8.040 -4.158 1.00 9.62 O ATOM 5 CB MET A 1 12.226 -6.648 -2.702 1.00 13.77 C ATOM 6 CG MET A 1 11.501 -5.300 -2.523 1.00 16.29 C ATOM 7 SD MET A 1 12.674 -4.164 -1.658 1.00 17.17 S ATOM 8 CE MET A 1 11.493 -2.890 -1.241 1.00 16.11 C ATOM 0 H1 MET A 1 12.668 -6.646 -5.233 1.00 9.67 H new ATOM 0 H2 MET A 1 11.705 -7.930 -5.786 1.00 9.67 H new ATOM 0 H3 MET A 1 10.980 -6.474 -5.296 1.00 9.67 H new ATOM 0 HA MET A 1 12.249 -8.560 -3.821 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.237 -7.153 -1.736 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.263 -6.438 -2.964 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.208 -4.889 -3.489 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.588 -5.428 -1.941 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.998 -2.088 -0.702 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.051 -2.491 -2.154 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.709 -3.312 -0.612 1.00 16.11 H new ATOM 20 N GLN A 2 9.970 -8.270 -1.991 1.00 9.27 N ATOM 21 CA GLN A 2 8.664 -8.572 -1.477 1.00 9.07 C ATOM 22 C GLN A 2 8.242 -7.562 -0.363 1.00 8.72 C ATOM 23 O GLN A 2 9.066 -6.902 0.286 1.00 8.22 O ATOM 24 CB GLN A 2 8.434 -10.042 -0.927 1.00 14.46 C ATOM 25 CG GLN A 2 8.873 -11.259 -1.778 1.00 17.01 C ATOM 26 CD GLN A 2 8.041 -11.218 -3.086 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.809 -11.333 -3.008 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.720 -11.220 -4.226 1.00 19.49 N ATOM 0 H GLN A 2 10.688 -8.270 -1.266 1.00 9.27 H new ATOM 0 HA GLN A 2 8.038 -8.484 -2.365 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.946 -10.114 0.032 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.368 -10.152 -0.728 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.940 -11.212 -1.997 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.699 -12.190 -1.239 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.735 -11.121 -4.215 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.227 -11.321 -5.113 1.00 19.49 H new ATOM 37 N ILE A 3 6.893 -7.391 -0.196 1.00 5.87 N ATOM 38 CA ILE A 3 6.346 -6.765 1.025 1.00 5.07 C ATOM 39 C ILE A 3 5.069 -7.497 1.517 1.00 4.01 C ATOM 40 O ILE A 3 4.461 -8.256 0.795 1.00 4.61 O ATOM 41 CB ILE A 3 6.029 -5.277 0.914 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.055 -4.940 -0.240 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.307 -4.432 0.964 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.530 -3.511 -0.196 1.00 10.83 C ATOM 0 H ILE A 3 6.191 -7.674 -0.880 1.00 5.87 H new ATOM 0 HA ILE A 3 7.160 -6.864 1.743 1.00 5.07 H new ATOM 0 HB ILE A 3 5.460 -4.992 1.799 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.561 -5.103 -1.191 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.211 -5.629 -0.206 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.049 -3.376 0.883 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.823 -4.608 1.908 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.960 -4.710 0.137 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.853 -3.346 -1.035 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.995 -3.349 0.740 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.366 -2.814 -0.261 1.00 10.83 H new ATOM 56 N PHE A 4 4.656 -7.268 2.754 1.00 4.55 N ATOM 57 CA PHE A 4 3.409 -7.753 3.306 1.00 4.68 C ATOM 58 C PHE A 4 2.450 -6.567 3.378 1.00 5.30 C ATOM 59 O PHE A 4 2.762 -5.577 3.997 1.00 5.58 O ATOM 60 CB PHE A 4 3.689 -8.167 4.768 1.00 4.83 C ATOM 61 CG PHE A 4 4.746 -9.252 4.806 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.725 -10.396 3.917 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.701 -9.143 5.789 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.761 -11.292 4.013 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.755 -10.020 5.817 1.00 10.61 C ATOM 66 CZ PHE A 4 6.825 -11.077 4.892 1.00 8.90 C ATOM 0 H PHE A 4 5.201 -6.721 3.420 1.00 4.55 H new ATOM 0 HA PHE A 4 3.006 -8.573 2.711 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.023 -7.302 5.342 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.772 -8.525 5.235 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.925 -10.539 3.206 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.621 -8.368 6.537 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.753 -12.179 3.397 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.536 -9.898 6.553 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.694 -11.717 4.862 1.00 8.90 H new ATOM 76 N VAL A 5 1.304 -6.683 2.709 1.00 4.44 N ATOM 77 CA VAL A 5 0.213 -5.808 2.972 1.00 3.87 C ATOM 78 C VAL A 5 -0.735 -6.538 3.894 1.00 4.93 C ATOM 79 O VAL A 5 -1.282 -7.588 3.448 1.00 6.84 O ATOM 80 CB VAL A 5 -0.502 -5.437 1.710 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.648 -4.426 1.992 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.475 -4.794 0.713 1.00 9.13 C ATOM 0 H VAL A 5 1.128 -7.380 1.986 1.00 4.44 H new ATOM 0 HA VAL A 5 0.580 -4.887 3.424 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.921 -6.352 1.291 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.150 -4.175 1.057 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.366 -4.872 2.680 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.234 -3.521 2.436 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.058 -4.529 -0.200 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.907 -3.896 1.154 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.271 -5.500 0.476 1.00 9.13 H new ATOM 92 N LYS A 6 -1.086 -6.024 5.098 1.00 6.04 N ATOM 93 CA LYS A 6 -2.077 -6.666 5.967 1.00 6.12 C ATOM 94 C LYS A 6 -3.400 -5.866 5.917 1.00 6.57 C ATOM 95 O LYS A 6 -3.402 -4.646 6.072 1.00 5.76 O ATOM 96 CB LYS A 6 -1.537 -6.698 7.442 1.00 7.45 C ATOM 97 CG LYS A 6 -0.506 -7.786 7.638 1.00 11.12 C ATOM 98 CD LYS A 6 -0.077 -8.105 9.068 1.00 14.54 C ATOM 99 CE LYS A 6 1.328 -8.791 9.233 1.00 18.84 C ATOM 100 NZ LYS A 6 1.232 -10.304 9.258 1.00 20.55 N ATOM 0 H LYS A 6 -0.691 -5.165 5.481 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.256 -7.685 5.625 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.097 -5.732 7.689 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.368 -6.856 8.130 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.895 -8.701 7.192 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.385 -7.510 7.074 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.075 -7.177 9.640 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.830 -8.754 9.515 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.978 -8.484 8.413 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.793 -8.444 10.156 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.185 -10.714 9.180 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.795 -10.609 10.151 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.650 -10.628 8.460 1.00 20.55 H new ATOM 114 N THR A 7 -4.514 -6.512 5.668 1.00 7.41 N ATOM 115 CA THR A 7 -5.803 -5.921 5.427 1.00 7.48 C ATOM 116 C THR A 7 -6.679 -5.640 6.638 1.00 8.75 C ATOM 117 O THR A 7 -6.301 -5.974 7.737 1.00 8.58 O ATOM 118 CB THR A 7 -6.601 -6.815 4.501 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.921 -8.079 5.080 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.907 -7.032 3.144 1.00 9.17 C ATOM 0 H THR A 7 -4.543 -7.531 5.626 1.00 7.41 H new ATOM 0 HA THR A 7 -5.556 -4.946 5.006 1.00 7.48 H new ATOM 0 HB THR A 7 -7.533 -6.275 4.333 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.881 -8.249 4.983 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.522 -7.680 2.520 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.772 -6.071 2.647 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.935 -7.498 3.303 1.00 9.17 H new ATOM 128 N LEU A 8 -7.842 -4.997 6.507 1.00 9.84 N ATOM 129 CA LEU A 8 -8.851 -4.787 7.566 1.00 14.15 C ATOM 130 C LEU A 8 -9.368 -6.118 8.086 1.00 17.37 C ATOM 131 O LEU A 8 -9.728 -6.294 9.247 1.00 17.01 O ATOM 132 CB LEU A 8 -10.113 -3.893 7.215 1.00 16.63 C ATOM 133 CG LEU A 8 -9.781 -2.485 6.675 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.009 -1.708 6.239 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.115 -1.745 7.798 1.00 18.59 C ATOM 0 H LEU A 8 -8.126 -4.586 5.618 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.287 -4.221 8.308 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.717 -4.417 6.475 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.726 -3.788 8.110 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.149 -2.587 5.793 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.707 -0.728 5.870 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.521 -2.252 5.446 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.682 -1.585 7.088 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.858 -0.738 7.468 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.794 -1.686 8.648 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.208 -2.272 8.094 1.00 18.59 H new ATOM 147 N THR A 9 -9.298 -7.093 7.204 1.00 18.33 N ATOM 148 CA THR A 9 -9.877 -8.396 7.371 1.00 19.24 C ATOM 149 C THR A 9 -8.831 -9.351 7.815 1.00 19.48 C ATOM 150 O THR A 9 -9.115 -10.534 7.932 1.00 23.14 O ATOM 151 CB THR A 9 -10.494 -8.966 6.106 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.525 -8.950 5.020 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.654 -8.129 5.658 1.00 19.70 C ATOM 0 H THR A 9 -8.812 -6.987 6.313 1.00 18.33 H new ATOM 0 HA THR A 9 -10.671 -8.270 8.107 1.00 19.24 H new ATOM 0 HB THR A 9 -10.815 -9.982 6.334 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.934 -9.321 4.211 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.081 -8.555 4.750 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.412 -8.109 6.441 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.313 -7.113 5.457 1.00 19.70 H new ATOM 161 N GLY A 10 -7.617 -8.894 8.085 1.00 19.43 N ATOM 162 CA GLY A 10 -6.484 -9.467 8.830 1.00 18.74 C ATOM 163 C GLY A 10 -5.743 -10.492 8.042 1.00 17.62 C ATOM 164 O GLY A 10 -4.895 -11.040 8.703 1.00 19.74 O ATOM 0 H GLY A 10 -7.358 -7.971 7.736 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.800 -8.668 9.115 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.850 -9.917 9.752 1.00 18.74 H new ATOM 168 N LYS A 11 -6.053 -10.683 6.774 1.00 13.56 N ATOM 169 CA LYS A 11 -5.293 -11.416 5.813 1.00 11.91 C ATOM 170 C LYS A 11 -4.045 -10.667 5.447 1.00 10.18 C ATOM 171 O LYS A 11 -3.999 -9.457 5.213 1.00 9.10 O ATOM 172 CB LYS A 11 -6.204 -11.600 4.512 1.00 13.43 C ATOM 173 CG LYS A 11 -5.530 -12.217 3.338 1.00 16.69 C ATOM 174 CD LYS A 11 -6.394 -12.560 2.165 1.00 17.92 C ATOM 175 CE LYS A 11 -7.058 -11.425 1.520 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.780 -11.999 0.330 1.00 21.93 N ATOM 0 H LYS A 11 -6.907 -10.297 6.372 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.002 -12.382 6.227 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.066 -12.213 4.777 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.586 -10.623 4.217 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.750 -11.536 2.997 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.034 -13.128 3.672 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.782 -13.071 1.422 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.156 -13.267 2.491 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.754 -10.939 2.203 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.334 -10.671 1.212 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.459 -11.300 -0.034 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.092 -12.234 -0.414 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.289 -12.860 0.615 1.00 21.93 H new ATOM 190 N THR A 12 -2.894 -11.411 5.366 1.00 9.63 N ATOM 191 CA THR A 12 -1.643 -10.820 4.852 1.00 9.85 C ATOM 192 C THR A 12 -1.629 -11.061 3.386 1.00 11.66 C ATOM 193 O THR A 12 -1.783 -12.216 2.945 1.00 12.33 O ATOM 194 CB THR A 12 -0.357 -11.357 5.464 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.526 -11.256 6.884 1.00 10.91 O ATOM 196 CG2 THR A 12 0.779 -10.394 5.037 1.00 9.63 C ATOM 0 H THR A 12 -2.821 -12.390 5.644 1.00 9.63 H new ATOM 0 HA THR A 12 -1.651 -9.765 5.125 1.00 9.85 H new ATOM 0 HB THR A 12 -0.133 -12.379 5.158 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.154 -12.053 7.315 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.725 -10.740 5.454 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.848 -10.372 3.949 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.564 -9.391 5.407 1.00 9.63 H new ATOM 204 N ILE A 13 -1.406 -10.100 2.507 1.00 10.42 N ATOM 205 CA ILE A 13 -1.197 -10.244 1.065 1.00 11.84 C ATOM 206 C ILE A 13 0.282 -9.984 0.814 1.00 10.55 C ATOM 207 O ILE A 13 0.753 -8.835 1.041 1.00 11.92 O ATOM 208 CB ILE A 13 -2.022 -9.462 0.141 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.513 -9.621 0.442 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.922 -9.793 -1.355 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.324 -8.495 -0.171 1.00 16.46 C ATOM 0 H ILE A 13 -1.362 -9.123 2.798 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.531 -11.254 0.827 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.617 -8.465 0.312 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.864 -10.577 0.054 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.668 -9.638 1.521 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.586 -9.137 -1.918 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.896 -9.647 -1.692 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.213 -10.831 -1.518 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.379 -8.638 0.062 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.989 -7.541 0.237 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.188 -8.495 -1.252 1.00 16.46 H new ATOM 223 N THR A 14 0.996 -10.968 0.345 1.00 9.39 N ATOM 224 CA THR A 14 2.411 -10.711 -0.162 1.00 9.63 C ATOM 225 C THR A 14 2.425 -10.107 -1.537 1.00 11.20 C ATOM 226 O THR A 14 1.875 -10.651 -2.488 1.00 11.63 O ATOM 227 CB THR A 14 3.366 -11.850 -0.232 1.00 10.38 C ATOM 228 OG1 THR A 14 3.449 -12.623 1.005 1.00 16.30 O ATOM 229 CG2 THR A 14 4.792 -11.279 -0.465 1.00 11.66 C ATOM 0 H THR A 14 0.682 -11.937 0.283 1.00 9.39 H new ATOM 0 HA THR A 14 2.758 -10.045 0.628 1.00 9.63 H new ATOM 0 HB THR A 14 3.008 -12.499 -1.031 1.00 10.38 H new ATOM 0 HG1 THR A 14 4.091 -13.355 0.891 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.508 -12.099 -0.519 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.811 -10.718 -1.399 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.059 -10.619 0.360 1.00 11.66 H new ATOM 237 N LEU A 15 3.190 -9.019 -1.769 1.00 8.29 N ATOM 238 CA LEU A 15 3.229 -8.326 -3.036 1.00 9.03 C ATOM 239 C LEU A 15 4.664 -8.259 -3.577 1.00 8.59 C ATOM 240 O LEU A 15 5.556 -7.823 -2.810 1.00 7.79 O ATOM 241 CB LEU A 15 2.758 -6.827 -2.910 1.00 11.08 C ATOM 242 CG LEU A 15 1.268 -6.604 -2.678 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.030 -5.104 -2.839 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.357 -7.406 -3.568 1.00 15.27 C ATOM 0 H LEU A 15 3.798 -8.607 -1.061 1.00 8.29 H new ATOM 0 HA LEU A 15 2.566 -8.887 -3.694 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.305 -6.365 -2.088 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.045 -6.301 -3.820 1.00 11.08 H new ATOM 0 HG LEU A 15 1.014 -6.960 -1.680 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.026 -4.884 -2.683 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.626 -4.560 -2.106 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.320 -4.795 -3.843 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.681 -7.178 -3.326 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.551 -7.153 -4.610 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.540 -8.469 -3.413 1.00 15.27 H new ATOM 256 N GLU A 16 4.865 -8.609 -4.857 1.00 11.04 N ATOM 257 CA GLU A 16 6.152 -8.377 -5.559 1.00 11.50 C ATOM 258 C GLU A 16 6.352 -6.939 -6.007 1.00 10.13 C ATOM 259 O GLU A 16 5.624 -6.479 -6.896 1.00 9.83 O ATOM 260 CB GLU A 16 6.394 -9.358 -6.726 1.00 17.22 C ATOM 261 CG GLU A 16 7.896 -9.520 -7.073 1.00 23.33 C ATOM 262 CD GLU A 16 8.125 -10.662 -8.001 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.885 -10.427 -9.221 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.437 -11.791 -7.528 1.00 28.86 O ATOM 0 H GLU A 16 4.154 -9.056 -5.435 1.00 11.04 H new ATOM 0 HA GLU A 16 6.910 -8.579 -4.802 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.978 -10.332 -6.468 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.858 -9.006 -7.607 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.266 -8.601 -7.528 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.467 -9.675 -6.157 1.00 23.33 H new ATOM 271 N VAL A 17 7.312 -6.236 -5.392 1.00 8.99 N ATOM 272 CA VAL A 17 7.471 -4.778 -5.635 1.00 8.85 C ATOM 273 C VAL A 17 8.869 -4.466 -5.817 1.00 8.04 C ATOM 274 O VAL A 17 9.777 -5.277 -5.763 1.00 8.99 O ATOM 275 CB VAL A 17 6.995 -3.888 -4.480 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.495 -3.907 -4.353 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.587 -4.486 -3.173 1.00 10.54 C ATOM 0 H VAL A 17 7.982 -6.634 -4.734 1.00 8.99 H new ATOM 0 HA VAL A 17 6.859 -4.573 -6.513 1.00 8.85 H new ATOM 0 HB VAL A 17 7.315 -2.862 -4.661 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.192 -3.266 -3.525 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.047 -3.542 -5.277 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.159 -4.927 -4.164 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.273 -3.882 -2.322 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.229 -5.507 -3.045 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.675 -4.488 -3.234 1.00 10.54 H new ATOM 287 N GLU A 18 9.107 -3.213 -6.297 1.00 7.29 N ATOM 288 CA GLU A 18 10.433 -2.762 -6.489 1.00 7.08 C ATOM 289 C GLU A 18 10.517 -1.435 -5.758 1.00 6.45 C ATOM 290 O GLU A 18 9.498 -0.747 -5.619 1.00 5.28 O ATOM 291 CB GLU A 18 10.789 -2.644 -7.980 1.00 10.28 C ATOM 292 CG GLU A 18 10.968 -4.101 -8.627 1.00 12.65 C ATOM 293 CD GLU A 18 11.669 -3.951 -10.001 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.748 -3.370 -10.119 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.156 -4.424 -11.074 1.00 14.33 O ATOM 0 H GLU A 18 8.382 -2.539 -6.542 1.00 7.29 H new ATOM 0 HA GLU A 18 11.162 -3.470 -6.095 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.005 -2.099 -8.506 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.709 -2.071 -8.097 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.559 -4.737 -7.968 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.998 -4.583 -8.748 1.00 12.65 H new ATOM 302 N PRO A 19 11.657 -0.935 -5.260 1.00 7.24 N ATOM 303 CA PRO A 19 11.754 0.311 -4.477 1.00 7.07 C ATOM 304 C PRO A 19 11.334 1.509 -5.267 1.00 6.65 C ATOM 305 O PRO A 19 10.921 2.535 -4.776 1.00 6.37 O ATOM 306 CB PRO A 19 13.227 0.403 -4.019 1.00 7.61 C ATOM 307 CG PRO A 19 13.761 -0.997 -4.274 1.00 8.16 C ATOM 308 CD PRO A 19 12.923 -1.623 -5.342 1.00 7.49 C ATOM 0 HA PRO A 19 11.076 0.293 -3.624 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.778 1.153 -4.586 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.305 0.678 -2.967 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.805 -0.956 -4.584 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.722 -1.592 -3.361 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.378 -1.501 -6.325 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.804 -2.694 -5.176 1.00 7.49 H new ATOM 316 N SER A 20 11.587 1.370 -6.546 1.00 6.80 N ATOM 317 CA SER A 20 11.343 2.383 -7.518 1.00 6.28 C ATOM 318 C SER A 20 9.863 2.476 -7.980 1.00 8.45 C ATOM 319 O SER A 20 9.483 3.398 -8.629 1.00 7.26 O ATOM 320 CB SER A 20 12.191 2.073 -8.728 1.00 8.57 C ATOM 321 OG SER A 20 12.030 0.668 -9.077 1.00 11.13 O ATOM 0 H SER A 20 11.981 0.517 -6.942 1.00 6.80 H new ATOM 0 HA SER A 20 11.588 3.338 -7.053 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.895 2.705 -9.566 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.238 2.291 -8.519 1.00 8.57 H new ATOM 0 HG SER A 20 12.577 0.461 -9.863 1.00 11.13 H new ATOM 327 N ASP A 21 9.022 1.518 -7.604 1.00 7.50 N ATOM 328 CA ASP A 21 7.582 1.633 -7.771 1.00 7.70 C ATOM 329 C ASP A 21 7.013 2.775 -6.909 1.00 7.08 C ATOM 330 O ASP A 21 7.602 3.112 -5.902 1.00 8.11 O ATOM 331 CB ASP A 21 6.914 0.310 -7.318 1.00 11.00 C ATOM 332 CG ASP A 21 6.992 -0.573 -8.476 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.816 -0.161 -9.660 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.119 -1.828 -8.159 1.00 18.03 O ATOM 0 H ASP A 21 9.321 0.642 -7.176 1.00 7.50 H new ATOM 0 HA ASP A 21 7.376 1.841 -8.821 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.432 -0.119 -6.460 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.879 0.474 -7.017 1.00 11.00 H new ATOM 339 N THR A 22 5.849 3.370 -7.235 1.00 5.37 N ATOM 340 CA THR A 22 5.140 4.280 -6.352 1.00 6.01 C ATOM 341 C THR A 22 4.039 3.621 -5.551 1.00 8.01 C ATOM 342 O THR A 22 3.564 2.518 -5.825 1.00 8.11 O ATOM 343 CB THR A 22 4.559 5.526 -7.093 1.00 8.92 C ATOM 344 OG1 THR A 22 3.550 5.198 -8.039 1.00 10.22 O ATOM 345 CG2 THR A 22 5.726 6.209 -7.784 1.00 9.65 C ATOM 0 H THR A 22 5.381 3.223 -8.129 1.00 5.37 H new ATOM 0 HA THR A 22 5.910 4.613 -5.656 1.00 6.01 H new ATOM 0 HB THR A 22 4.074 6.177 -6.366 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.225 6.017 -8.468 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.368 7.089 -8.318 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.463 6.510 -7.040 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.185 5.518 -8.491 1.00 9.65 H new ATOM 353 N ILE A 23 3.534 4.274 -4.495 1.00 8.32 N ATOM 354 CA ILE A 23 2.458 3.816 -3.599 1.00 9.92 C ATOM 355 C ILE A 23 1.106 3.594 -4.369 1.00 10.01 C ATOM 356 O ILE A 23 0.341 2.717 -4.069 1.00 8.71 O ATOM 357 CB ILE A 23 2.163 4.781 -2.455 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.426 5.091 -1.629 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.032 4.238 -1.526 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.105 3.908 -0.894 1.00 12.30 C ATOM 0 H ILE A 23 3.886 5.193 -4.225 1.00 8.32 H new ATOM 0 HA ILE A 23 2.836 2.878 -3.192 1.00 9.92 H new ATOM 0 HB ILE A 23 1.819 5.710 -2.910 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.162 5.541 -2.295 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.166 5.845 -0.886 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.848 4.951 -0.722 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.119 4.101 -2.106 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.338 3.282 -1.101 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.980 4.269 -0.354 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.401 3.465 -0.190 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.413 3.156 -1.621 1.00 12.30 H new ATOM 372 N GLU A 24 0.872 4.427 -5.390 1.00 9.54 N ATOM 373 CA GLU A 24 -0.127 4.248 -6.384 1.00 11.81 C ATOM 374 C GLU A 24 -0.069 2.871 -7.154 1.00 11.14 C ATOM 375 O GLU A 24 -1.089 2.268 -7.429 1.00 10.62 O ATOM 376 CB GLU A 24 0.083 5.315 -7.555 1.00 19.24 C ATOM 377 CG GLU A 24 -1.043 5.202 -8.648 1.00 27.76 C ATOM 378 CD GLU A 24 -1.141 6.514 -9.570 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.109 6.783 -10.236 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.200 7.175 -9.596 1.00 36.51 O ATOM 0 H GLU A 24 1.416 5.279 -5.529 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.060 4.332 -5.826 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.085 6.321 -7.136 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.058 5.161 -8.018 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.848 4.334 -9.277 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.003 5.033 -8.160 1.00 27.76 H new ATOM 387 N ASN A 25 1.152 2.370 -7.462 1.00 9.43 N ATOM 388 CA ASN A 25 1.466 1.172 -8.254 1.00 10.96 C ATOM 389 C ASN A 25 1.340 -0.083 -7.397 1.00 9.68 C ATOM 390 O ASN A 25 1.180 -1.183 -7.846 1.00 9.33 O ATOM 391 CB ASN A 25 2.875 1.381 -8.976 1.00 16.78 C ATOM 392 CG ASN A 25 3.226 0.190 -9.874 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.633 -0.874 -9.411 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.875 0.240 -11.162 1.00 24.70 N ATOM 0 H ASN A 25 2.001 2.832 -7.136 1.00 9.43 H new ATOM 0 HA ASN A 25 0.742 1.020 -9.055 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.848 2.293 -9.573 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.654 1.514 -8.225 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.947 -0.595 -11.743 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.535 1.113 -11.564 1.00 24.70 H new ATOM 401 N VAL A 26 1.314 0.144 -6.085 1.00 6.52 N ATOM 402 CA VAL A 26 0.970 -0.917 -5.091 1.00 5.53 C ATOM 403 C VAL A 26 -0.576 -1.124 -5.056 1.00 4.42 C ATOM 404 O VAL A 26 -1.085 -2.231 -5.028 1.00 3.40 O ATOM 405 CB VAL A 26 1.542 -0.559 -3.779 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.059 -1.529 -2.719 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.105 -0.537 -3.794 1.00 8.12 C ATOM 0 H VAL A 26 1.525 1.050 -5.667 1.00 6.52 H new ATOM 0 HA VAL A 26 1.405 -1.874 -5.379 1.00 5.53 H new ATOM 0 HB VAL A 26 1.201 0.450 -3.547 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.487 -1.256 -1.754 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.029 -1.489 -2.658 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.371 -2.540 -2.982 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.475 -0.268 -2.804 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.480 -1.524 -4.066 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.452 0.196 -4.522 1.00 8.12 H new ATOM 417 N LYS A 27 -1.276 -0.029 -5.127 1.00 2.64 N ATOM 418 CA LYS A 27 -2.702 0.048 -5.019 1.00 4.14 C ATOM 419 C LYS A 27 -3.450 -0.621 -6.209 1.00 5.58 C ATOM 420 O LYS A 27 -4.441 -1.315 -6.069 1.00 4.11 O ATOM 421 CB LYS A 27 -3.291 1.456 -4.904 1.00 3.97 C ATOM 422 CG LYS A 27 -2.940 2.011 -3.458 1.00 7.45 C ATOM 423 CD LYS A 27 -3.310 3.534 -3.366 1.00 9.02 C ATOM 424 CE LYS A 27 -2.919 4.116 -2.027 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.428 5.470 -1.802 1.00 15.47 N ATOM 0 H LYS A 27 -0.842 0.883 -5.270 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.862 -0.486 -4.083 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.878 2.107 -5.674 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.371 1.432 -5.053 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.486 1.449 -2.701 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.878 1.873 -3.254 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.807 4.081 -4.163 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.382 3.660 -3.520 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.287 3.463 -1.236 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.832 4.129 -1.950 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.869 5.931 -1.056 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.353 6.020 -2.682 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.424 5.422 -1.508 1.00 15.47 H new ATOM 439 N ALA A 28 -2.820 -0.542 -7.460 1.00 6.61 N ATOM 440 CA ALA A 28 -3.076 -1.349 -8.700 1.00 7.74 C ATOM 441 C ALA A 28 -2.695 -2.785 -8.591 1.00 9.17 C ATOM 442 O ALA A 28 -3.381 -3.691 -9.040 1.00 11.45 O ATOM 443 CB ALA A 28 -2.599 -0.854 -9.981 1.00 7.68 C ATOM 0 H ALA A 28 -2.075 0.138 -7.616 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.159 -1.226 -8.726 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.869 -1.559 -10.767 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.055 0.114 -10.190 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.515 -0.745 -9.948 1.00 7.68 H new ATOM 449 N LYS A 29 -1.605 -3.144 -7.841 1.00 8.96 N ATOM 450 CA LYS A 29 -1.253 -4.510 -7.532 1.00 7.90 C ATOM 451 C LYS A 29 -2.271 -5.181 -6.561 1.00 6.92 C ATOM 452 O LYS A 29 -2.571 -6.390 -6.611 1.00 6.87 O ATOM 453 CB LYS A 29 0.188 -4.554 -6.997 1.00 10.28 C ATOM 454 CG LYS A 29 0.828 -5.923 -7.262 1.00 14.94 C ATOM 455 CD LYS A 29 2.396 -5.756 -7.204 1.00 19.69 C ATOM 456 CE LYS A 29 3.008 -5.175 -8.462 1.00 22.63 C ATOM 457 NZ LYS A 29 2.744 -5.986 -9.709 1.00 24.98 N ATOM 0 H LYS A 29 -0.959 -2.461 -7.444 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.302 -5.099 -8.448 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.781 -3.773 -7.472 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.189 -4.348 -5.927 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.496 -6.648 -6.519 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.522 -6.303 -8.237 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.650 -5.114 -6.360 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.846 -6.730 -7.011 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.621 -4.167 -8.609 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.085 -5.086 -8.321 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.329 -5.624 -10.489 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.982 -6.983 -9.532 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.739 -5.911 -9.966 1.00 24.98 H new ATOM 471 N ILE A 30 -2.796 -4.451 -5.588 1.00 4.57 N ATOM 472 CA ILE A 30 -3.957 -4.797 -4.761 1.00 5.58 C ATOM 473 C ILE A 30 -5.244 -4.948 -5.599 1.00 7.26 C ATOM 474 O ILE A 30 -6.046 -5.813 -5.342 1.00 9.46 O ATOM 475 CB ILE A 30 -4.081 -3.930 -3.555 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.972 -4.214 -2.590 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.421 -4.121 -2.875 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.688 -5.694 -2.278 1.00 2.00 C ATOM 0 H ILE A 30 -2.403 -3.544 -5.334 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.783 -5.791 -4.350 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.011 -2.893 -3.883 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.058 -3.768 -2.981 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -3.199 -3.706 -1.652 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.480 -3.475 -1.999 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.221 -3.865 -3.569 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.527 -5.161 -2.566 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.864 -5.765 -1.568 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.578 -6.152 -1.848 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.420 -6.215 -3.197 1.00 2.00 H new ATOM 490 N GLN A 31 -5.459 -4.105 -6.651 1.00 7.06 N ATOM 491 CA GLN A 31 -6.595 -4.177 -7.472 1.00 8.67 C ATOM 492 C GLN A 31 -6.610 -5.439 -8.266 1.00 10.90 C ATOM 493 O GLN A 31 -7.571 -6.210 -8.269 1.00 9.63 O ATOM 494 CB GLN A 31 -6.579 -2.916 -8.448 1.00 9.12 C ATOM 495 CG GLN A 31 -7.948 -2.724 -9.098 1.00 10.76 C ATOM 496 CD GLN A 31 -8.054 -1.488 -9.990 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.987 -0.933 -10.472 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.317 -0.979 -10.116 1.00 14.76 N ATOM 0 H GLN A 31 -4.809 -3.364 -6.914 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.492 -4.172 -6.852 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.306 -2.020 -7.890 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.821 -3.055 -9.218 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.182 -3.607 -9.692 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.703 -2.658 -8.315 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.110 -1.475 -9.708 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.466 -0.104 -10.618 1.00 14.76 H new ATOM 507 N ASP A 32 -5.420 -5.899 -8.800 1.00 10.93 N ATOM 508 CA ASP A 32 -5.309 -7.191 -9.442 1.00 14.01 C ATOM 509 C ASP A 32 -5.630 -8.369 -8.455 1.00 14.04 C ATOM 510 O ASP A 32 -6.413 -9.314 -8.805 1.00 13.39 O ATOM 511 CB ASP A 32 -3.847 -7.285 -9.878 1.00 18.01 C ATOM 512 CG ASP A 32 -3.604 -8.425 -10.841 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.393 -8.525 -11.812 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.673 -9.220 -10.640 1.00 26.29 O ATOM 0 H ASP A 32 -4.549 -5.368 -8.779 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.017 -7.276 -10.267 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.550 -6.347 -10.347 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.216 -7.415 -8.999 1.00 18.01 H new ATOM 519 N LYS A 33 -5.172 -8.363 -7.210 1.00 14.22 N ATOM 520 CA LYS A 33 -5.515 -9.377 -6.168 1.00 14.00 C ATOM 521 C LYS A 33 -6.978 -9.354 -5.699 1.00 12.37 C ATOM 522 O LYS A 33 -7.687 -10.386 -5.743 1.00 12.17 O ATOM 523 CB LYS A 33 -4.615 -9.184 -4.910 1.00 18.62 C ATOM 524 CG LYS A 33 -3.125 -9.245 -5.153 1.00 24.00 C ATOM 525 CD LYS A 33 -2.509 -10.605 -5.227 1.00 27.61 C ATOM 526 CE LYS A 33 -1.045 -10.486 -5.613 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.494 -11.848 -5.632 1.00 30.06 N ATOM 0 H LYS A 33 -4.535 -7.644 -6.868 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.345 -10.337 -6.655 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.852 -8.219 -4.461 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.877 -9.949 -4.178 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.911 -8.724 -6.086 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.628 -8.690 -4.357 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.601 -11.109 -4.265 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.039 -11.215 -5.958 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.941 -10.014 -6.590 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.507 -9.862 -4.899 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.512 -11.812 -5.893 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.592 -12.275 -4.689 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.012 -12.422 -6.328 1.00 30.06 H new ATOM 541 N GLU A 34 -7.401 -8.190 -5.168 1.00 10.11 N ATOM 542 CA GLU A 34 -8.549 -8.023 -4.382 1.00 10.07 C ATOM 543 C GLU A 34 -9.603 -7.223 -5.038 1.00 9.32 C ATOM 544 O GLU A 34 -10.697 -7.092 -4.544 1.00 11.61 O ATOM 545 CB GLU A 34 -8.206 -7.496 -2.977 1.00 14.77 C ATOM 546 CG GLU A 34 -7.194 -8.345 -2.183 1.00 18.75 C ATOM 547 CD GLU A 34 -7.608 -9.811 -1.821 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.633 -10.005 -1.147 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.785 -10.735 -2.036 1.00 25.19 O ATOM 0 H GLU A 34 -6.893 -7.317 -5.309 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.976 -9.018 -4.262 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.810 -6.485 -3.073 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.127 -7.424 -2.399 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.268 -8.389 -2.757 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.969 -7.820 -1.255 1.00 18.75 H new ATOM 556 N GLY A 35 -9.401 -6.596 -6.199 1.00 7.22 N ATOM 557 CA GLY A 35 -10.437 -5.862 -6.933 1.00 6.29 C ATOM 558 C GLY A 35 -10.647 -4.397 -6.463 1.00 6.93 C ATOM 559 O GLY A 35 -11.577 -3.728 -6.948 1.00 7.41 O ATOM 0 H GLY A 35 -8.494 -6.583 -6.666 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.179 -5.856 -7.992 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.381 -6.399 -6.838 1.00 6.29 H new ATOM 563 N ILE A 36 -9.881 -3.861 -5.518 1.00 5.86 N ATOM 564 CA ILE A 36 -10.183 -2.684 -4.796 1.00 6.07 C ATOM 565 C ILE A 36 -9.605 -1.541 -5.603 1.00 6.36 C ATOM 566 O ILE A 36 -8.421 -1.584 -5.924 1.00 6.18 O ATOM 567 CB ILE A 36 -9.529 -2.703 -3.397 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.904 -3.981 -2.613 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.020 -1.510 -2.620 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.079 -4.210 -1.409 1.00 9.49 C ATOM 0 H ILE A 36 -8.992 -4.277 -5.240 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.259 -2.589 -4.650 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.447 -2.679 -3.525 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.951 -3.919 -2.317 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.810 -4.842 -3.275 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.567 -1.510 -1.629 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.745 -0.595 -3.145 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.104 -1.560 -2.523 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.404 -5.125 -0.914 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.032 -4.305 -1.698 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.192 -3.369 -0.725 1.00 9.49 H new ATOM 582 N PRO A 37 -10.437 -0.515 -5.882 1.00 8.65 N ATOM 583 CA PRO A 37 -9.902 0.614 -6.545 1.00 9.18 C ATOM 584 C PRO A 37 -8.879 1.413 -5.825 1.00 9.85 C ATOM 585 O PRO A 37 -9.104 1.592 -4.623 1.00 8.51 O ATOM 586 CB PRO A 37 -11.190 1.502 -6.696 1.00 11.42 C ATOM 587 CG PRO A 37 -12.217 0.487 -7.046 1.00 9.27 C ATOM 588 CD PRO A 37 -11.901 -0.586 -6.003 1.00 8.33 C ATOM 0 HA PRO A 37 -9.370 0.295 -7.442 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.434 2.030 -5.774 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.078 2.256 -7.475 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.232 0.873 -6.952 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.109 0.120 -8.067 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.394 -0.382 -5.053 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.231 -1.573 -6.328 1.00 8.33 H new ATOM 596 N PRO A 38 -7.793 1.897 -6.521 1.00 8.71 N ATOM 597 CA PRO A 38 -6.809 2.876 -5.998 1.00 9.08 C ATOM 598 C PRO A 38 -7.355 4.022 -5.161 1.00 9.28 C ATOM 599 O PRO A 38 -6.746 4.402 -4.185 1.00 6.50 O ATOM 600 CB PRO A 38 -6.053 3.342 -7.223 1.00 10.31 C ATOM 601 CG PRO A 38 -5.981 2.134 -8.121 1.00 10.81 C ATOM 602 CD PRO A 38 -7.334 1.339 -7.798 1.00 12.00 C ATOM 0 HA PRO A 38 -6.175 2.389 -5.257 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.568 4.168 -7.714 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.057 3.698 -6.960 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.925 2.419 -9.172 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.100 1.528 -7.908 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.076 1.483 -8.583 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.155 0.267 -7.721 1.00 12.00 H new ATOM 610 N ASP A 39 -8.516 4.568 -5.504 1.00 11.20 N ATOM 611 CA ASP A 39 -9.101 5.707 -4.941 1.00 14.96 C ATOM 612 C ASP A 39 -9.815 5.386 -3.674 1.00 13.99 C ATOM 613 O ASP A 39 -10.229 6.261 -2.958 1.00 13.75 O ATOM 614 CB ASP A 39 -10.006 6.364 -6.015 1.00 24.16 C ATOM 615 CG ASP A 39 -9.179 6.929 -7.131 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.347 7.827 -6.893 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.404 6.565 -8.289 1.00 34.22 O ATOM 0 H ASP A 39 -9.092 4.169 -6.245 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.335 6.427 -4.651 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.704 5.626 -6.410 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.602 7.155 -5.561 1.00 24.16 H new ATOM 622 N GLN A 40 -9.924 4.052 -3.260 1.00 11.60 N ATOM 623 CA GLN A 40 -10.620 3.548 -2.027 1.00 10.76 C ATOM 624 C GLN A 40 -9.608 3.039 -1.048 1.00 8.01 C ATOM 625 O GLN A 40 -9.917 2.460 -0.025 1.00 8.96 O ATOM 626 CB GLN A 40 -11.558 2.327 -2.272 1.00 11.14 C ATOM 627 CG GLN A 40 -12.651 1.939 -1.255 1.00 14.85 C ATOM 628 CD GLN A 40 -13.356 0.598 -1.683 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.305 -0.418 -0.976 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.879 0.619 -2.933 1.00 18.16 N ATOM 0 H GLN A 40 -9.512 3.293 -3.803 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.202 4.401 -1.677 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.057 2.496 -3.226 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.917 1.454 -2.398 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.210 1.824 -0.265 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.389 2.738 -1.184 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.892 1.489 -3.466 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.260 -0.235 -3.341 1.00 18.16 H new ATOM 639 N GLN A 41 -8.305 3.270 -1.273 1.00 6.52 N ATOM 640 CA GLN A 41 -7.188 2.693 -0.541 1.00 3.87 C ATOM 641 C GLN A 41 -6.344 3.769 0.122 1.00 4.79 C ATOM 642 O GLN A 41 -5.971 4.719 -0.518 1.00 6.34 O ATOM 643 CB GLN A 41 -6.263 1.825 -1.473 1.00 4.20 C ATOM 644 CG GLN A 41 -6.976 0.587 -2.023 1.00 3.20 C ATOM 645 CD GLN A 41 -6.032 -0.268 -2.858 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.939 -0.492 -2.426 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.501 -0.720 -4.075 1.00 7.13 N ATOM 0 H GLN A 41 -7.995 3.900 -2.013 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.624 2.051 0.224 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.914 2.438 -2.304 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.381 1.513 -0.914 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.372 -0.004 -1.197 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.826 0.894 -2.632 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.448 -0.487 -4.375 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.901 -1.287 -4.674 1.00 7.13 H new ATOM 656 N ARG A 42 -6.133 3.668 1.414 1.00 5.73 N ATOM 657 CA ARG A 42 -5.286 4.500 2.206 1.00 6.97 C ATOM 658 C ARG A 42 -4.243 3.551 2.824 1.00 7.15 C ATOM 659 O ARG A 42 -4.636 2.399 3.091 1.00 7.33 O ATOM 660 CB ARG A 42 -5.996 5.233 3.341 1.00 13.23 C ATOM 661 CG ARG A 42 -7.088 6.108 2.851 1.00 21.27 C ATOM 662 CD ARG A 42 -7.409 7.362 3.706 1.00 26.14 C ATOM 663 NE ARG A 42 -8.458 8.159 3.061 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.315 8.950 3.772 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.792 8.609 4.978 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.682 10.144 3.279 1.00 36.39 N ATOM 0 H ARG A 42 -6.588 2.945 1.971 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.873 5.280 1.566 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.404 4.504 4.042 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.272 5.834 3.892 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.834 6.438 1.844 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.995 5.509 2.771 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.733 7.059 4.702 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.510 7.965 3.833 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.551 8.121 2.046 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.517 7.724 5.404 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.430 9.235 5.470 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.321 10.456 2.378 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.322 10.739 3.806 1.00 36.39 H new ATOM 680 N LEU A 43 -2.976 3.919 3.102 1.00 4.65 N ATOM 681 CA LEU A 43 -1.888 3.043 3.465 1.00 3.51 C ATOM 682 C LEU A 43 -1.067 3.575 4.607 1.00 5.56 C ATOM 683 O LEU A 43 -0.517 4.691 4.547 1.00 4.19 O ATOM 684 CB LEU A 43 -0.927 2.776 2.246 1.00 3.74 C ATOM 685 CG LEU A 43 -1.371 1.684 1.194 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.539 1.711 -0.119 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.285 0.292 1.853 1.00 6.41 C ATOM 0 H LEU A 43 -2.687 4.897 3.072 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.361 2.112 3.778 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.787 3.718 1.715 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.046 2.486 2.642 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.396 1.912 0.902 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.899 0.935 -0.794 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.645 2.685 -0.597 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.511 1.532 0.112 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.589 -0.470 1.135 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.260 0.102 2.170 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.945 0.258 2.720 1.00 6.41 H new ATOM 699 N ILE A 44 -0.863 2.832 5.706 1.00 4.58 N ATOM 700 CA ILE A 44 -0.185 3.363 6.871 1.00 5.55 C ATOM 701 C ILE A 44 1.135 2.489 7.016 1.00 5.46 C ATOM 702 O ILE A 44 1.063 1.291 6.867 1.00 6.04 O ATOM 703 CB ILE A 44 -1.034 3.291 8.172 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.275 4.230 8.024 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.092 3.527 9.387 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.273 4.313 9.181 1.00 13.90 C ATOM 0 H ILE A 44 -1.163 1.862 5.800 1.00 4.58 H new ATOM 0 HA ILE A 44 0.018 4.425 6.735 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.473 2.311 8.356 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.907 5.238 7.832 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.823 3.916 7.136 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.670 3.480 10.310 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.680 2.758 9.403 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.375 4.508 9.300 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.074 5.005 8.922 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.694 3.325 9.370 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.763 4.667 10.077 1.00 13.90 H new ATOM 718 N PHE A 45 2.330 3.123 7.201 1.00 6.75 N ATOM 719 CA PHE A 45 3.613 2.438 7.392 1.00 4.70 C ATOM 720 C PHE A 45 4.272 3.154 8.487 1.00 6.34 C ATOM 721 O PHE A 45 4.424 4.386 8.458 1.00 5.45 O ATOM 722 CB PHE A 45 4.469 2.382 6.078 1.00 5.51 C ATOM 723 CG PHE A 45 5.868 1.908 6.354 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.214 0.522 6.563 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.919 2.811 6.159 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.560 0.162 6.698 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.266 2.452 6.189 1.00 6.64 C ATOM 728 CZ PHE A 45 8.570 1.096 6.428 1.00 6.84 C ATOM 0 H PHE A 45 2.413 4.139 7.219 1.00 6.75 H new ATOM 0 HA PHE A 45 3.475 1.386 7.644 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.992 1.715 5.360 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.502 3.371 5.621 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.441 -0.231 6.615 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.673 3.846 5.975 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.821 -0.838 7.011 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.046 3.183 6.035 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.600 0.771 6.403 1.00 6.84 H new ATOM 738 N ALA A 46 4.722 2.464 9.581 1.00 6.53 N ATOM 739 CA ALA A 46 5.450 2.948 10.824 1.00 7.15 C ATOM 740 C ALA A 46 4.620 4.042 11.510 1.00 9.00 C ATOM 741 O ALA A 46 5.136 5.029 11.921 1.00 11.15 O ATOM 742 CB ALA A 46 6.852 3.344 10.496 1.00 8.99 C ATOM 0 H ALA A 46 4.575 1.456 9.630 1.00 6.53 H new ATOM 0 HA ALA A 46 5.549 2.140 11.548 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.354 3.687 11.400 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.386 2.486 10.088 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.840 4.148 9.760 1.00 8.99 H new ATOM 748 N GLY A 47 3.300 3.777 11.534 1.00 9.35 N ATOM 749 CA GLY A 47 2.292 4.638 12.086 1.00 11.68 C ATOM 750 C GLY A 47 1.773 5.909 11.374 1.00 11.14 C ATOM 751 O GLY A 47 0.880 6.627 11.834 1.00 13.93 O ATOM 0 H GLY A 47 2.913 2.916 11.148 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.420 4.011 12.270 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.663 4.961 13.059 1.00 11.68 H new ATOM 755 N LYS A 48 2.338 6.193 10.215 1.00 10.47 N ATOM 756 CA LYS A 48 1.993 7.368 9.448 1.00 8.82 C ATOM 757 C LYS A 48 1.579 7.042 8.042 1.00 7.68 C ATOM 758 O LYS A 48 1.796 5.959 7.539 1.00 6.47 O ATOM 759 CB LYS A 48 3.305 8.242 9.406 1.00 9.74 C ATOM 760 CG LYS A 48 4.392 7.409 8.694 1.00 14.14 C ATOM 761 CD LYS A 48 5.638 8.292 8.419 1.00 16.32 C ATOM 762 CE LYS A 48 6.782 7.500 7.714 1.00 20.04 C ATOM 763 NZ LYS A 48 8.102 8.173 7.799 1.00 23.92 N ATOM 0 H LYS A 48 3.053 5.610 9.780 1.00 10.47 H new ATOM 0 HA LYS A 48 1.146 7.876 9.909 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.127 9.176 8.873 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.623 8.506 10.415 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.670 6.554 9.311 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.003 7.012 7.756 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.350 9.140 7.797 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.007 8.698 9.361 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.858 6.509 8.162 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.522 7.357 6.665 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.818 7.596 7.312 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.045 9.108 7.347 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.370 8.287 8.797 1.00 23.92 H new ATOM 777 N GLN A 49 0.798 7.946 7.380 1.00 8.89 N ATOM 778 CA GLN A 49 0.207 7.708 6.085 1.00 7.18 C ATOM 779 C GLN A 49 1.136 8.039 4.844 1.00 8.23 C ATOM 780 O GLN A 49 2.123 8.793 4.946 1.00 9.70 O ATOM 781 CB GLN A 49 -1.031 8.501 5.909 1.00 11.67 C ATOM 782 CG GLN A 49 -2.153 8.430 7.075 1.00 15.82 C ATOM 783 CD GLN A 49 -3.484 8.964 6.550 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.123 8.409 5.649 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.027 9.950 7.275 1.00 20.67 N ATOM 0 H GLN A 49 0.575 8.865 7.761 1.00 8.89 H new ATOM 0 HA GLN A 49 0.019 6.634 6.090 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.744 9.545 5.785 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.499 8.187 4.976 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.273 7.401 7.414 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.831 9.015 7.937 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.485 10.397 8.015 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.982 10.254 7.088 1.00 20.67 H new ATOM 794 N LEU A 50 0.773 7.472 3.650 1.00 6.51 N ATOM 795 CA LEU A 50 1.582 7.499 2.499 1.00 7.41 C ATOM 796 C LEU A 50 0.857 8.054 1.342 1.00 8.27 C ATOM 797 O LEU A 50 -0.296 7.725 1.018 1.00 8.34 O ATOM 798 CB LEU A 50 2.021 6.100 2.111 1.00 7.13 C ATOM 799 CG LEU A 50 2.603 5.188 3.235 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.003 3.838 2.618 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.756 5.846 4.018 1.00 9.11 C ATOM 0 H LEU A 50 -0.114 6.988 3.512 1.00 6.51 H new ATOM 0 HA LEU A 50 2.441 8.123 2.745 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.164 5.588 1.673 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.773 6.189 1.327 1.00 7.13 H new ATOM 0 HG LEU A 50 1.828 5.025 3.984 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.412 3.190 3.394 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.126 3.366 2.176 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.756 3.999 1.846 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.114 5.158 4.784 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.571 6.084 3.334 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.399 6.761 4.490 1.00 9.11 H new ATOM 813 N GLU A 51 1.449 9.076 0.637 1.00 9.43 N ATOM 814 CA GLU A 51 0.922 9.693 -0.557 1.00 11.90 C ATOM 815 C GLU A 51 1.212 8.856 -1.814 1.00 11.49 C ATOM 816 O GLU A 51 2.228 8.254 -1.855 1.00 9.88 O ATOM 817 CB GLU A 51 1.613 11.112 -0.741 1.00 16.56 C ATOM 818 CG GLU A 51 1.198 12.136 0.368 1.00 26.06 C ATOM 819 CD GLU A 51 1.550 13.493 -0.026 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.634 13.778 -0.602 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.602 14.347 0.113 1.00 33.44 O ATOM 0 H GLU A 51 2.339 9.483 0.925 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.158 9.779 -0.441 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.696 10.988 -0.728 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.350 11.515 -1.719 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.125 12.071 0.547 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.693 11.884 1.306 1.00 26.06 H new ATOM 828 N ASP A 52 0.255 8.831 -2.809 1.00 12.71 N ATOM 829 CA ASP A 52 0.271 7.938 -4.001 1.00 16.56 C ATOM 830 C ASP A 52 1.476 8.073 -4.985 1.00 15.83 C ATOM 831 O ASP A 52 2.037 7.046 -5.371 1.00 17.21 O ATOM 832 CB ASP A 52 -0.983 8.212 -4.842 1.00 21.05 C ATOM 833 CG ASP A 52 -2.294 8.017 -4.142 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.595 6.829 -3.760 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.970 8.998 -3.810 1.00 28.37 O ATOM 0 H ASP A 52 -0.558 9.447 -2.792 1.00 12.71 H new ATOM 0 HA ASP A 52 0.336 6.941 -3.565 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.936 9.238 -5.206 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.960 7.562 -5.717 1.00 21.05 H new ATOM 840 N GLY A 53 1.952 9.257 -5.330 1.00 15.00 N ATOM 841 CA GLY A 53 3.071 9.417 -6.284 1.00 11.77 C ATOM 842 C GLY A 53 4.404 9.329 -5.709 1.00 11.10 C ATOM 843 O GLY A 53 5.381 9.612 -6.358 1.00 11.25 O ATOM 0 H GLY A 53 1.587 10.138 -4.968 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.977 8.655 -7.057 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.970 10.384 -6.776 1.00 11.77 H new ATOM 847 N ARG A 54 4.592 9.075 -4.417 1.00 8.53 N ATOM 848 CA ARG A 54 5.821 8.902 -3.702 1.00 9.05 C ATOM 849 C ARG A 54 6.355 7.551 -4.120 1.00 8.96 C ATOM 850 O ARG A 54 5.537 6.684 -4.351 1.00 11.60 O ATOM 851 CB ARG A 54 5.599 8.838 -2.158 1.00 7.97 C ATOM 852 CG ARG A 54 5.118 10.146 -1.630 1.00 9.62 C ATOM 853 CD ARG A 54 6.060 11.330 -1.715 1.00 12.20 C ATOM 854 NE ARG A 54 5.337 12.611 -1.195 1.00 18.23 N ATOM 855 CZ ARG A 54 5.850 13.853 -1.284 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.131 14.127 -1.630 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.127 14.889 -0.847 1.00 23.38 N ATOM 0 H ARG A 54 3.791 8.978 -3.793 1.00 8.53 H new ATOM 0 HA ARG A 54 6.485 9.738 -3.921 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.873 8.059 -1.924 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.531 8.564 -1.665 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.203 10.406 -2.162 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.849 10.006 -0.583 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.955 11.139 -1.123 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.385 11.476 -2.745 1.00 12.20 H new ATOM 0 HE ARG A 54 4.420 12.501 -0.761 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.776 13.366 -1.843 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.451 15.094 -1.677 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.199 14.733 -0.452 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.503 15.835 -0.908 1.00 23.38 H new ATOM 871 N THR A 55 7.660 7.344 -4.240 1.00 9.05 N ATOM 872 CA THR A 55 8.294 6.068 -4.373 1.00 9.03 C ATOM 873 C THR A 55 8.417 5.295 -3.004 1.00 8.15 C ATOM 874 O THR A 55 8.537 5.948 -1.946 1.00 5.91 O ATOM 875 CB THR A 55 9.709 6.119 -4.992 1.00 11.15 C ATOM 876 OG1 THR A 55 10.677 6.909 -4.300 1.00 11.95 O ATOM 877 CG2 THR A 55 9.608 6.652 -6.347 1.00 11.71 C ATOM 0 H THR A 55 8.329 8.114 -4.246 1.00 9.05 H new ATOM 0 HA THR A 55 7.626 5.541 -5.053 1.00 9.03 H new ATOM 0 HB THR A 55 10.066 5.090 -4.942 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.533 6.869 -4.776 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.600 6.694 -6.796 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.965 6.006 -6.945 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.183 7.655 -6.313 1.00 11.71 H new ATOM 885 N LEU A 56 8.469 3.918 -2.977 1.00 6.91 N ATOM 886 CA LEU A 56 8.670 3.024 -1.851 1.00 8.29 C ATOM 887 C LEU A 56 9.977 3.412 -1.138 1.00 8.05 C ATOM 888 O LEU A 56 10.001 3.551 0.089 1.00 10.17 O ATOM 889 CB LEU A 56 8.681 1.553 -2.308 1.00 6.60 C ATOM 890 CG LEU A 56 7.358 0.809 -2.248 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.384 1.350 -3.273 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.620 -0.707 -2.401 1.00 8.64 C ATOM 0 H LEU A 56 8.357 3.388 -3.841 1.00 6.91 H new ATOM 0 HA LEU A 56 7.842 3.124 -1.149 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.044 1.519 -3.335 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.403 1.012 -1.696 1.00 6.60 H new ATOM 0 HG LEU A 56 6.886 0.968 -1.278 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.445 0.800 -3.209 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.200 2.406 -3.078 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.805 1.234 -4.272 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.673 -1.246 -2.359 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.104 -0.898 -3.359 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.268 -1.048 -1.593 1.00 8.64 H new ATOM 904 N SER A 57 11.089 3.649 -1.870 1.00 8.92 N ATOM 905 CA SER A 57 12.349 4.067 -1.263 1.00 9.00 C ATOM 906 C SER A 57 12.363 5.441 -0.587 1.00 9.44 C ATOM 907 O SER A 57 13.143 5.632 0.356 1.00 10.91 O ATOM 908 CB SER A 57 13.484 4.069 -2.374 1.00 10.32 C ATOM 909 OG SER A 57 14.725 4.425 -1.767 1.00 13.59 O ATOM 0 H SER A 57 11.127 3.554 -2.885 1.00 8.92 H new ATOM 0 HA SER A 57 12.514 3.343 -0.465 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.560 3.085 -2.837 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.235 4.776 -3.166 1.00 10.32 H new ATOM 0 HG SER A 57 15.432 4.427 -2.445 1.00 13.59 H new ATOM 915 N ASP A 58 11.596 6.505 -1.056 1.00 9.11 N ATOM 916 CA ASP A 58 11.542 7.773 -0.398 1.00 7.91 C ATOM 917 C ASP A 58 10.824 7.725 0.977 1.00 9.12 C ATOM 918 O ASP A 58 11.047 8.572 1.890 1.00 8.61 O ATOM 919 CB ASP A 58 10.940 8.833 -1.369 1.00 8.41 C ATOM 920 CG ASP A 58 11.550 10.214 -1.205 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.798 10.213 -1.388 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.911 11.181 -0.845 1.00 10.05 O ATOM 0 H ASP A 58 11.022 6.453 -1.898 1.00 9.11 H new ATOM 0 HA ASP A 58 12.561 8.072 -0.150 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.086 8.499 -2.396 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.864 8.897 -1.204 1.00 8.41 H new ATOM 927 N TYR A 59 9.998 6.707 1.181 1.00 7.97 N ATOM 928 CA TYR A 59 9.414 6.487 2.522 1.00 8.45 C ATOM 929 C TYR A 59 10.207 5.374 3.268 1.00 10.98 C ATOM 930 O TYR A 59 9.864 5.063 4.389 1.00 12.95 O ATOM 931 CB TYR A 59 7.930 5.957 2.465 1.00 7.94 C ATOM 932 CG TYR A 59 6.952 7.075 2.274 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.033 8.160 3.095 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.933 6.902 1.363 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.033 9.176 3.015 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.038 7.936 1.188 1.00 6.52 C ATOM 937 CZ TYR A 59 5.039 9.066 2.038 1.00 6.76 C ATOM 938 OH TYR A 59 4.069 10.038 1.847 1.00 7.63 O ATOM 0 H TYR A 59 9.716 6.034 0.469 1.00 7.97 H new ATOM 0 HA TYR A 59 9.454 7.456 3.020 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.830 5.242 1.649 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.698 5.423 3.387 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.846 8.250 3.800 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.838 5.984 0.803 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.044 10.014 3.696 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.320 7.882 0.383 1.00 6.52 H new ATOM 0 HH TYR A 59 4.432 10.915 2.093 1.00 7.63 H new ATOM 948 N ASN A 60 11.290 4.788 2.677 1.00 12.38 N ATOM 949 CA ASN A 60 12.124 3.786 3.321 1.00 13.94 C ATOM 950 C ASN A 60 11.425 2.506 3.579 1.00 14.16 C ATOM 951 O ASN A 60 11.604 1.832 4.579 1.00 14.26 O ATOM 952 CB ASN A 60 12.964 4.323 4.576 1.00 19.23 C ATOM 953 CG ASN A 60 13.606 5.652 4.210 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.709 5.718 3.632 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.974 6.788 4.528 1.00 24.09 N ATOM 0 H ASN A 60 11.592 5.016 1.730 1.00 12.38 H new ATOM 0 HA ASN A 60 12.882 3.554 2.573 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.312 4.445 5.441 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.730 3.599 4.854 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.395 7.688 4.297 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.071 6.754 5.001 1.00 24.09 H new ATOM 962 N ILE A 61 10.435 2.116 2.706 1.00 11.08 N ATOM 963 CA ILE A 61 9.879 0.788 2.708 1.00 11.78 C ATOM 964 C ILE A 61 10.935 -0.213 2.280 1.00 13.74 C ATOM 965 O ILE A 61 11.531 -0.091 1.247 1.00 14.60 O ATOM 966 CB ILE A 61 8.682 0.702 1.819 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.588 1.624 2.404 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.105 -0.682 1.628 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.457 1.839 1.488 1.00 11.42 C ATOM 0 H ILE A 61 10.029 2.734 2.003 1.00 11.08 H new ATOM 0 HA ILE A 61 9.555 0.552 3.722 1.00 11.78 H new ATOM 0 HB ILE A 61 9.019 1.008 0.828 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.217 1.192 3.333 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.031 2.588 2.656 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.241 -0.628 0.966 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.860 -1.333 1.187 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.798 -1.084 2.593 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.726 2.495 1.960 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.817 2.300 0.568 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.990 0.882 1.256 1.00 11.42 H new ATOM 981 N GLN A 62 11.119 -1.190 3.123 1.00 13.97 N ATOM 982 CA GLN A 62 12.195 -2.208 3.035 1.00 15.52 C ATOM 983 C GLN A 62 11.639 -3.562 2.585 1.00 13.94 C ATOM 984 O GLN A 62 10.450 -3.859 2.654 1.00 12.15 O ATOM 985 CB GLN A 62 12.874 -2.434 4.418 1.00 19.53 C ATOM 986 CG GLN A 62 13.579 -1.204 4.980 1.00 26.38 C ATOM 987 CD GLN A 62 13.874 -1.193 6.486 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.032 -1.376 7.332 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.162 -0.990 6.839 1.00 32.71 N ATOM 0 H GLN A 62 10.513 -1.328 3.932 1.00 13.97 H new ATOM 0 HA GLN A 62 12.917 -1.828 2.312 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.118 -2.763 5.131 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.599 -3.243 4.326 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.524 -1.084 4.450 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.970 -0.330 4.748 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.869 -0.836 6.121 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.427 -0.991 7.824 1.00 32.71 H new ATOM 998 N LYS A 63 12.526 -4.460 2.175 1.00 11.73 N ATOM 999 CA LYS A 63 12.209 -5.834 1.972 1.00 11.97 C ATOM 1000 C LYS A 63 11.597 -6.551 3.006 1.00 10.41 C ATOM 1001 O LYS A 63 12.207 -6.659 4.066 1.00 9.59 O ATOM 1002 CB LYS A 63 13.568 -6.548 1.456 1.00 13.73 C ATOM 1003 CG LYS A 63 13.579 -8.060 1.301 1.00 16.98 C ATOM 1004 CD LYS A 63 14.937 -8.591 0.815 1.00 20.19 C ATOM 1005 CE LYS A 63 14.926 -10.119 0.915 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.270 -10.569 0.581 1.00 25.97 N ATOM 0 H LYS A 63 13.500 -4.231 1.975 1.00 11.73 H new ATOM 0 HA LYS A 63 11.400 -5.848 1.242 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.824 -6.114 0.490 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.367 -6.280 2.148 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.333 -8.522 2.257 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.803 -8.355 0.595 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.119 -8.280 -0.214 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.744 -8.178 1.420 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.649 -10.439 1.919 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.193 -10.547 0.231 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.312 -11.607 0.636 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.509 -10.263 -0.384 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.950 -10.159 1.252 1.00 25.97 H new ATOM 1020 N GLU A 64 10.352 -7.047 2.792 1.00 10.04 N ATOM 1021 CA GLU A 64 9.511 -7.754 3.728 1.00 10.94 C ATOM 1022 C GLU A 64 8.970 -6.797 4.745 1.00 9.74 C ATOM 1023 O GLU A 64 8.804 -7.193 5.933 1.00 9.42 O ATOM 1024 CB GLU A 64 10.088 -9.089 4.321 1.00 18.31 C ATOM 1025 CG GLU A 64 10.525 -10.014 3.190 1.00 24.16 C ATOM 1026 CD GLU A 64 11.074 -11.328 3.740 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.305 -12.184 4.288 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.306 -11.568 3.567 1.00 32.61 O ATOM 0 H GLU A 64 9.897 -6.943 1.885 1.00 10.04 H new ATOM 0 HA GLU A 64 8.676 -8.149 3.149 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.935 -8.872 4.972 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.333 -9.581 4.934 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.679 -10.216 2.533 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.287 -9.521 2.586 1.00 24.16 H new ATOM 1035 N SER A 65 8.710 -5.473 4.522 1.00 6.85 N ATOM 1036 CA SER A 65 8.038 -4.548 5.395 1.00 6.90 C ATOM 1037 C SER A 65 6.582 -4.868 5.542 1.00 4.72 C ATOM 1038 O SER A 65 5.971 -5.556 4.706 1.00 3.91 O ATOM 1039 CB SER A 65 8.038 -3.059 5.000 1.00 7.28 C ATOM 1040 OG SER A 65 9.380 -2.581 4.894 1.00 10.56 O ATOM 0 H SER A 65 9.000 -5.023 3.653 1.00 6.85 H new ATOM 0 HA SER A 65 8.634 -4.678 6.298 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.520 -2.926 4.050 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.494 -2.477 5.744 1.00 7.28 H new ATOM 0 HG SER A 65 9.820 -3.009 4.130 1.00 10.56 H new ATOM 1046 N THR A 66 5.951 -4.437 6.640 1.00 4.48 N ATOM 1047 CA THR A 66 4.537 -4.570 6.833 1.00 3.80 C ATOM 1048 C THR A 66 3.909 -3.288 6.662 1.00 4.60 C ATOM 1049 O THR A 66 4.122 -2.285 7.388 1.00 5.33 O ATOM 1050 CB THR A 66 4.081 -5.013 8.257 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.596 -6.324 8.437 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.531 -5.299 8.246 1.00 3.40 C ATOM 0 H THR A 66 6.430 -3.983 7.418 1.00 4.48 H new ATOM 0 HA THR A 66 4.255 -5.337 6.111 1.00 3.80 H new ATOM 0 HB THR A 66 4.382 -4.260 8.985 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.341 -6.657 9.323 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.211 -5.609 9.241 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.996 -4.394 7.958 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.312 -6.092 7.531 1.00 3.40 H new ATOM 1060 N LEU A 67 3.058 -3.214 5.612 1.00 4.17 N ATOM 1061 CA LEU A 67 2.161 -2.118 5.280 1.00 3.85 C ATOM 1062 C LEU A 67 0.755 -2.451 5.830 1.00 3.80 C ATOM 1063 O LEU A 67 0.421 -3.607 6.067 1.00 5.54 O ATOM 1064 CB LEU A 67 2.038 -1.991 3.741 1.00 7.18 C ATOM 1065 CG LEU A 67 3.136 -1.131 3.056 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.559 -1.779 3.202 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.678 -0.858 1.580 1.00 11.66 C ATOM 0 H LEU A 67 2.987 -3.977 4.939 1.00 4.17 H new ATOM 0 HA LEU A 67 2.549 -1.193 5.707 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.060 -2.991 3.308 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.064 -1.562 3.505 1.00 7.18 H new ATOM 0 HG LEU A 67 3.248 -0.167 3.551 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.299 -1.147 2.710 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.809 -1.874 4.259 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.559 -2.766 2.739 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.430 -0.255 1.071 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.557 -1.806 1.055 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.728 -0.324 1.587 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.028 -1.385 6.187 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.316 -1.499 6.731 1.00 4.17 C ATOM 1081 C HIS A 68 -2.327 -0.800 5.790 1.00 5.32 C ATOM 1082 O HIS A 68 -2.025 0.295 5.299 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.359 -0.949 8.163 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.424 -1.656 9.070 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.860 -1.205 9.337 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.631 -2.719 9.964 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.369 -2.109 10.299 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.483 -2.993 10.749 1.00 16.30 N ATOM 0 H HIS A 68 0.278 -0.418 6.080 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.596 -2.550 6.805 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.113 0.113 8.149 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.373 -1.036 8.552 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.559 -3.267 10.034 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.393 -2.083 10.640 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.593 -3.693 11.483 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.485 -1.418 5.452 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.307 -0.978 4.391 1.00 3.97 C ATOM 1098 C LEU A 69 -5.574 -0.484 5.088 1.00 5.07 C ATOM 1099 O LEU A 69 -6.125 -1.173 5.906 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.546 -2.175 3.382 1.00 6.08 C ATOM 1101 CG LEU A 69 -4.769 -1.837 1.896 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.314 -3.065 1.165 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.643 -0.661 1.580 1.00 9.96 C ATOM 0 H LEU A 69 -3.843 -2.240 5.937 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.881 -0.182 3.781 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.687 -2.843 3.447 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.413 -2.737 3.730 1.00 6.08 H new ATOM 0 HG LEU A 69 -3.778 -1.541 1.552 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.471 -2.823 0.114 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.599 -3.884 1.246 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -6.261 -3.365 1.613 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.712 -0.539 0.499 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.639 -0.827 1.991 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.214 0.240 2.020 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.999 0.728 4.751 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.219 1.351 5.210 1.00 6.26 C ATOM 1117 C VAL A 70 -8.100 1.622 4.076 1.00 9.22 C ATOM 1118 O VAL A 70 -7.725 2.145 3.026 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.930 2.580 6.000 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.118 3.510 6.269 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.262 2.244 7.397 1.00 8.54 C ATOM 0 H VAL A 70 -5.470 1.327 4.118 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.736 0.663 5.879 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.246 3.117 5.343 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.784 4.368 6.852 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.533 3.854 5.321 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.884 2.970 6.825 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.069 3.169 7.940 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.935 1.615 7.980 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.323 1.716 7.233 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.363 1.137 4.168 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.390 1.624 3.317 1.00 16.06 C ATOM 1133 C LEU A 71 -10.882 3.012 3.703 1.00 18.09 C ATOM 1134 O LEU A 71 -11.115 3.352 4.856 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.555 0.610 3.184 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.019 -0.751 2.575 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.174 -1.761 2.538 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.408 -0.569 1.187 1.00 19.57 C ATOM 0 H LEU A 71 -9.658 0.417 4.827 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.938 1.734 2.331 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.005 0.429 4.160 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.336 1.022 2.545 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.217 -1.123 3.212 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.820 -2.704 2.121 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.544 -1.928 3.550 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.980 -1.370 1.917 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.056 -1.531 0.815 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.161 -0.171 0.507 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.570 0.125 1.247 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.131 3.784 2.652 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.449 5.228 2.730 1.00 25.83 C ATOM 1152 C ARG A 72 -12.742 5.646 3.545 1.00 27.74 C ATOM 1153 O ARG A 72 -13.802 5.012 3.444 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.693 5.742 1.232 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.708 7.252 1.058 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.367 7.542 -0.405 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.380 9.015 -0.678 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.227 9.530 -1.887 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.963 8.882 -3.022 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.356 10.863 -1.865 1.00 35.02 N ATOM 0 H ARG A 72 -11.120 3.428 1.696 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.604 5.666 3.261 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.915 5.327 0.592 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.644 5.343 0.879 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.686 7.659 1.313 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.984 7.723 1.723 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.384 7.134 -0.641 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.085 7.042 -1.055 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.513 9.652 0.107 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.856 7.868 -3.017 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.868 9.401 -3.895 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.548 11.342 -0.985 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.263 11.399 -2.728 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.672 6.720 4.333 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.768 7.576 4.837 1.00 30.76 C ATOM 1176 C LEU A 73 -14.059 8.790 3.879 1.00 32.18 C ATOM 1177 O LEU A 73 -13.150 9.579 3.611 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.507 8.103 6.256 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.560 6.990 7.309 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -12.872 7.495 8.602 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.914 6.359 7.561 1.00 29.11 C ATOM 0 H LEU A 73 -11.768 7.050 4.670 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.645 6.929 4.868 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -12.530 8.584 6.288 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.246 8.866 6.500 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.009 6.147 6.892 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -12.903 6.712 9.360 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -11.835 7.751 8.386 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -13.394 8.378 8.971 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.819 5.587 8.325 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.614 7.123 7.901 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.285 5.912 6.638 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.325 8.926 3.369 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.719 10.052 2.524 1.00 35.33 C ATOM 1195 C ARG A 74 -15.903 11.336 3.342 1.00 36.22 C ATOM 1196 O ARG A 74 -15.704 12.419 2.809 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.015 9.746 1.656 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.738 8.707 0.564 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.694 9.172 -0.536 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.402 7.967 -1.389 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.737 8.035 -2.543 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.387 9.177 -3.111 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.597 6.861 -3.207 1.00 41.93 N ATOM 0 H ARG A 74 -16.075 8.257 3.542 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.897 10.207 1.826 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.811 9.385 2.307 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.371 10.669 1.198 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.370 7.794 1.033 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.678 8.456 0.072 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.102 9.984 -1.139 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.783 9.547 -0.071 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.728 7.055 -1.069 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.625 10.063 -2.665 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.879 9.172 -3.995 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.989 6.004 -2.816 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.100 6.835 -4.097 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.132 11.296 4.679 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.101 12.428 5.634 1.00 36.07 C ATOM 1219 C GLY A 75 -14.767 12.791 6.234 1.00 36.16 C ATOM 1220 O GLY A 75 -14.737 13.727 7.068 1.00 36.26 O ATOM 0 H GLY A 75 -16.357 10.417 5.146 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.493 13.309 5.125 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.787 12.200 6.450 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.739 11.956 5.955 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.538 11.981 6.778 1.00 36.19 C ATOM 1226 C GLY A 76 -11.346 11.323 6.045 1.00 36.20 C ATOM 1227 O GLY A 76 -10.989 11.745 4.909 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.718 10.391 6.646 1.00 0.00 O ATOM 0 H GLY A 76 -13.727 11.282 5.189 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.289 13.011 7.032 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.725 11.458 7.716 1.00 36.19 H new TER 1232 GLY A 76