USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 417 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 61:sc= 0.295 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.00489 (180deg=-0.0899) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0469) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0217 K(o=-0.022,f=-0.63) USER MOD Single : A 37 ASN : amide:sc= -0.242 K(o=-0.24,f=-2!) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.671 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 160:sc= -1.31 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.534 -0.101 -19.096 1.00 3.32 N ATOM 2 CA MET A 1 -11.685 -0.986 -18.968 1.00 74.22 C ATOM 3 C MET A 1 -11.280 -2.440 -19.184 1.00 73.40 C ATOM 4 O MET A 1 -10.380 -2.735 -19.971 1.00 50.13 O ATOM 5 CB MET A 1 -12.771 -0.592 -19.972 1.00 32.55 C ATOM 6 CG MET A 1 -13.262 0.836 -19.808 1.00 15.35 C ATOM 7 SD MET A 1 -14.946 1.067 -20.410 1.00 21.01 S ATOM 8 CE MET A 1 -15.269 2.745 -19.876 1.00 55.34 C ATOM 0 H1 MET A 1 -10.769 0.833 -18.703 1.00 3.32 H new ATOM 0 H2 MET A 1 -9.728 -0.503 -18.577 1.00 3.32 H new ATOM 0 H3 MET A 1 -10.283 -0.001 -20.100 1.00 3.32 H new ATOM 0 HA MET A 1 -12.080 -0.884 -17.957 1.00 74.22 H new ATOM 0 HB2 MET A 1 -12.383 -0.720 -20.983 1.00 32.55 H new ATOM 0 HB3 MET A 1 -13.616 -1.272 -19.866 1.00 32.55 H new ATOM 0 HG2 MET A 1 -13.216 1.113 -18.755 1.00 15.35 H new ATOM 0 HG3 MET A 1 -12.593 1.509 -20.344 1.00 15.35 H new ATOM 0 HE1 MET A 1 -16.276 3.035 -20.176 1.00 55.34 H new ATOM 0 HE2 MET A 1 -15.182 2.805 -18.791 1.00 55.34 H new ATOM 0 HE3 MET A 1 -14.546 3.419 -20.336 1.00 55.34 H new ATOM 18 N THR A 2 -11.950 -3.348 -18.481 1.00 10.15 N ATOM 19 CA THR A 2 -11.658 -4.771 -18.595 1.00 20.41 C ATOM 20 C THR A 2 -12.776 -5.505 -19.328 1.00 2.24 C ATOM 21 O THR A 2 -13.938 -5.446 -18.926 1.00 31.53 O ATOM 22 CB THR A 2 -11.458 -5.416 -17.210 1.00 61.45 C ATOM 23 OG1 THR A 2 -10.382 -4.771 -16.520 1.00 34.53 O ATOM 24 CG2 THR A 2 -11.163 -6.903 -17.344 1.00 12.34 C ATOM 0 H THR A 2 -12.699 -3.123 -17.826 1.00 10.15 H new ATOM 0 HA THR A 2 -10.734 -4.859 -19.166 1.00 20.41 H new ATOM 0 HB THR A 2 -12.379 -5.294 -16.640 1.00 61.45 H new ATOM 0 HG1 THR A 2 -10.262 -5.186 -15.640 1.00 34.53 H new ATOM 0 HG21 THR A 2 -11.025 -7.337 -16.354 1.00 12.34 H new ATOM 0 HG22 THR A 2 -11.997 -7.396 -17.844 1.00 12.34 H new ATOM 0 HG23 THR A 2 -10.255 -7.042 -17.931 1.00 12.34 H new ATOM 32 N PHE A 3 -12.416 -6.196 -20.404 1.00 71.13 N ATOM 33 CA PHE A 3 -13.390 -6.942 -21.194 1.00 5.34 C ATOM 34 C PHE A 3 -12.897 -8.359 -21.469 1.00 31.35 C ATOM 35 O PHE A 3 -11.715 -8.662 -21.300 1.00 14.10 O ATOM 36 CB PHE A 3 -13.665 -6.221 -22.516 1.00 13.42 C ATOM 37 CG PHE A 3 -14.459 -4.955 -22.354 1.00 61.41 C ATOM 38 CD1 PHE A 3 -13.857 -3.719 -22.516 1.00 3.30 C ATOM 39 CD2 PHE A 3 -15.807 -5.004 -22.039 1.00 14.50 C ATOM 40 CE1 PHE A 3 -14.584 -2.553 -22.369 1.00 51.03 C ATOM 41 CE2 PHE A 3 -16.540 -3.841 -21.891 1.00 61.42 C ATOM 42 CZ PHE A 3 -15.927 -2.614 -22.055 1.00 53.44 C ATOM 0 H PHE A 3 -11.458 -6.255 -20.749 1.00 71.13 H new ATOM 0 HA PHE A 3 -14.315 -7.003 -20.621 1.00 5.34 H new ATOM 0 HB2 PHE A 3 -12.716 -5.986 -22.997 1.00 13.42 H new ATOM 0 HB3 PHE A 3 -14.202 -6.895 -23.183 1.00 13.42 H new ATOM 0 HD1 PHE A 3 -12.806 -3.665 -22.760 1.00 3.30 H new ATOM 0 HD2 PHE A 3 -16.291 -5.961 -21.908 1.00 14.50 H new ATOM 0 HE1 PHE A 3 -14.102 -1.595 -22.500 1.00 51.03 H new ATOM 0 HE2 PHE A 3 -17.591 -3.892 -21.647 1.00 61.42 H new ATOM 0 HZ PHE A 3 -16.497 -1.704 -21.938 1.00 53.44 H new ATOM 52 N LYS A 4 -13.811 -9.225 -21.892 1.00 33.24 N ATOM 53 CA LYS A 4 -13.472 -10.611 -22.190 1.00 21.53 C ATOM 54 C LYS A 4 -13.852 -10.968 -23.623 1.00 64.34 C ATOM 55 O LYS A 4 -14.696 -10.313 -24.233 1.00 12.13 O ATOM 56 CB LYS A 4 -14.180 -11.554 -21.214 1.00 53.22 C ATOM 57 CG LYS A 4 -13.661 -12.980 -21.260 1.00 22.24 C ATOM 58 CD LYS A 4 -14.262 -13.828 -20.151 1.00 3.42 C ATOM 59 CE LYS A 4 -13.733 -13.416 -18.785 1.00 15.10 C ATOM 60 NZ LYS A 4 -13.940 -14.482 -17.765 1.00 54.24 N1+ ATOM 0 H LYS A 4 -14.793 -8.991 -22.036 1.00 33.24 H new ATOM 0 HA LYS A 4 -12.394 -10.726 -22.078 1.00 21.53 H new ATOM 0 HB2 LYS A 4 -14.066 -11.167 -20.201 1.00 53.22 H new ATOM 0 HB3 LYS A 4 -15.247 -11.558 -21.435 1.00 53.22 H new ATOM 0 HG2 LYS A 4 -13.898 -13.423 -22.227 1.00 22.24 H new ATOM 0 HG3 LYS A 4 -12.575 -12.976 -21.168 1.00 22.24 H new ATOM 0 HD2 LYS A 4 -15.348 -13.732 -20.166 1.00 3.42 H new ATOM 0 HD3 LYS A 4 -14.032 -14.878 -20.330 1.00 3.42 H new ATOM 0 HE2 LYS A 4 -12.670 -13.188 -18.861 1.00 15.10 H new ATOM 0 HE3 LYS A 4 -14.233 -12.503 -18.462 1.00 15.10 H new ATOM 0 HZ1 LYS A 4 -13.566 -14.163 -16.848 1.00 54.24 H new ATOM 0 HZ2 LYS A 4 -14.956 -14.682 -17.674 1.00 54.24 H new ATOM 0 HZ3 LYS A 4 -13.442 -15.346 -18.060 1.00 54.24 H new ATOM 74 N ALA A 5 -13.222 -12.010 -24.157 1.00 23.53 N ATOM 75 CA ALA A 5 -13.497 -12.455 -25.517 1.00 20.41 C ATOM 76 C ALA A 5 -13.615 -13.974 -25.584 1.00 72.24 C ATOM 77 O ALA A 5 -12.629 -14.691 -25.412 1.00 53.44 O ATOM 78 CB ALA A 5 -12.409 -11.966 -26.462 1.00 73.13 C ATOM 0 H ALA A 5 -12.517 -12.562 -23.667 1.00 23.53 H new ATOM 0 HA ALA A 5 -14.451 -12.029 -25.827 1.00 20.41 H new ATOM 0 HB1 ALA A 5 -12.627 -12.306 -27.475 1.00 73.13 H new ATOM 0 HB2 ALA A 5 -12.374 -10.877 -26.444 1.00 73.13 H new ATOM 0 HB3 ALA A 5 -11.445 -12.365 -26.145 1.00 73.13 H new ATOM 84 N ILE A 6 -14.828 -14.458 -25.834 1.00 43.32 N ATOM 85 CA ILE A 6 -15.073 -15.891 -25.925 1.00 34.32 C ATOM 86 C ILE A 6 -15.235 -16.331 -27.376 1.00 75.13 C ATOM 87 O ILE A 6 -15.868 -15.643 -28.177 1.00 43.54 O ATOM 88 CB ILE A 6 -16.331 -16.298 -25.135 1.00 0.45 C ATOM 89 CG1 ILE A 6 -16.447 -17.821 -25.066 1.00 74.23 C ATOM 90 CG2 ILE A 6 -17.574 -15.694 -25.770 1.00 73.33 C ATOM 91 CD1 ILE A 6 -15.395 -18.469 -24.194 1.00 10.23 C ATOM 0 H ILE A 6 -15.655 -13.878 -25.977 1.00 43.32 H new ATOM 0 HA ILE A 6 -14.204 -16.387 -25.492 1.00 34.32 H new ATOM 0 HB ILE A 6 -16.243 -15.914 -24.119 1.00 0.45 H new ATOM 0 HG12 ILE A 6 -17.434 -18.085 -24.687 1.00 74.23 H new ATOM 0 HG13 ILE A 6 -16.373 -18.229 -26.074 1.00 74.23 H new ATOM 0 HG21 ILE A 6 -18.455 -15.991 -25.200 1.00 73.33 H new ATOM 0 HG22 ILE A 6 -17.491 -14.607 -25.770 1.00 73.33 H new ATOM 0 HG23 ILE A 6 -17.668 -16.051 -26.796 1.00 73.33 H new ATOM 0 HD11 ILE A 6 -15.539 -19.549 -24.192 1.00 10.23 H new ATOM 0 HD12 ILE A 6 -14.404 -18.236 -24.584 1.00 10.23 H new ATOM 0 HD13 ILE A 6 -15.482 -18.090 -23.176 1.00 10.23 H new ATOM 103 N ILE A 7 -14.661 -17.483 -27.707 1.00 61.12 N ATOM 104 CA ILE A 7 -14.744 -18.016 -29.061 1.00 70.24 C ATOM 105 C ILE A 7 -15.674 -19.222 -29.120 1.00 73.23 C ATOM 106 O ILE A 7 -15.622 -20.102 -28.262 1.00 74.32 O ATOM 107 CB ILE A 7 -13.357 -18.425 -29.591 1.00 43.34 C ATOM 108 CG1 ILE A 7 -12.347 -17.300 -29.359 1.00 24.22 C ATOM 109 CG2 ILE A 7 -13.437 -18.775 -31.069 1.00 55.12 C ATOM 110 CD1 ILE A 7 -12.721 -16.000 -30.037 1.00 21.24 C ATOM 0 H ILE A 7 -14.134 -18.065 -27.056 1.00 61.12 H new ATOM 0 HA ILE A 7 -15.144 -17.220 -29.690 1.00 70.24 H new ATOM 0 HB ILE A 7 -13.022 -19.308 -29.046 1.00 43.34 H new ATOM 0 HG12 ILE A 7 -12.249 -17.126 -28.287 1.00 24.22 H new ATOM 0 HG13 ILE A 7 -11.370 -17.620 -29.720 1.00 24.22 H new ATOM 0 HG21 ILE A 7 -12.449 -19.062 -31.429 1.00 55.12 H new ATOM 0 HG22 ILE A 7 -14.130 -19.605 -31.209 1.00 55.12 H new ATOM 0 HG23 ILE A 7 -13.790 -17.909 -31.629 1.00 55.12 H new ATOM 0 HD11 ILE A 7 -11.959 -15.249 -29.829 1.00 21.24 H new ATOM 0 HD12 ILE A 7 -12.790 -16.158 -31.113 1.00 21.24 H new ATOM 0 HD13 ILE A 7 -13.683 -15.656 -29.658 1.00 21.24 H new ATOM 122 N ASN A 8 -16.525 -19.257 -30.142 1.00 44.31 N ATOM 123 CA ASN A 8 -17.467 -20.357 -30.314 1.00 54.12 C ATOM 124 C ASN A 8 -17.358 -20.952 -31.716 1.00 3.45 C ATOM 125 O ASN A 8 -17.884 -20.398 -32.679 1.00 74.11 O ATOM 126 CB ASN A 8 -18.898 -19.875 -30.063 1.00 64.50 C ATOM 127 CG ASN A 8 -19.216 -19.758 -28.585 1.00 13.51 C ATOM 128 OD1 ASN A 8 -18.938 -18.736 -27.958 1.00 51.34 O ATOM 129 ND2 ASN A 8 -19.803 -20.808 -28.021 1.00 52.55 N ATOM 0 H ASN A 8 -16.581 -18.537 -30.862 1.00 44.31 H new ATOM 0 HA ASN A 8 -17.219 -21.132 -29.589 1.00 54.12 H new ATOM 0 HB2 ASN A 8 -19.041 -18.906 -30.541 1.00 64.50 H new ATOM 0 HB3 ASN A 8 -19.599 -20.567 -30.529 1.00 64.50 H new ATOM 0 HD21 ASN A 8 -20.042 -20.787 -27.030 1.00 52.55 H new ATOM 0 HD22 ASN A 8 -20.015 -21.635 -28.580 1.00 52.55 H new ATOM 136 N GLY A 9 -16.670 -22.084 -31.819 1.00 64.02 N ATOM 137 CA GLY A 9 -16.504 -22.736 -33.105 1.00 71.24 C ATOM 138 C GLY A 9 -16.802 -24.221 -33.046 1.00 4.45 C ATOM 139 O GLY A 9 -16.986 -24.783 -31.965 1.00 51.23 O ATOM 0 H GLY A 9 -16.225 -22.562 -31.035 1.00 64.02 H new ATOM 0 HA2 GLY A 9 -17.163 -22.265 -33.835 1.00 71.24 H new ATOM 0 HA3 GLY A 9 -15.482 -22.587 -33.455 1.00 71.24 H new ATOM 143 N LYS A 10 -16.852 -24.860 -34.209 1.00 61.35 N ATOM 144 CA LYS A 10 -17.131 -26.289 -34.287 1.00 63.23 C ATOM 145 C LYS A 10 -15.838 -27.099 -34.246 1.00 15.24 C ATOM 146 O LYS A 10 -15.737 -28.091 -33.523 1.00 72.44 O ATOM 147 CB LYS A 10 -17.905 -26.610 -35.567 1.00 21.11 C ATOM 148 CG LYS A 10 -18.475 -28.018 -35.597 1.00 0.45 C ATOM 149 CD LYS A 10 -19.438 -28.253 -34.445 1.00 62.51 C ATOM 150 CE LYS A 10 -20.237 -29.533 -34.640 1.00 31.44 C ATOM 151 NZ LYS A 10 -21.411 -29.325 -35.531 1.00 14.44 N1+ ATOM 0 H LYS A 10 -16.703 -24.410 -35.112 1.00 61.35 H new ATOM 0 HA LYS A 10 -17.739 -26.562 -33.424 1.00 63.23 H new ATOM 0 HB2 LYS A 10 -18.720 -25.895 -35.678 1.00 21.11 H new ATOM 0 HB3 LYS A 10 -17.245 -26.476 -36.424 1.00 21.11 H new ATOM 0 HG2 LYS A 10 -18.991 -28.183 -36.543 1.00 0.45 H new ATOM 0 HG3 LYS A 10 -17.662 -28.742 -35.547 1.00 0.45 H new ATOM 0 HD2 LYS A 10 -18.881 -28.309 -33.509 1.00 62.51 H new ATOM 0 HD3 LYS A 10 -20.119 -27.407 -34.360 1.00 62.51 H new ATOM 0 HE2 LYS A 10 -19.592 -30.303 -35.064 1.00 31.44 H new ATOM 0 HE3 LYS A 10 -20.577 -29.900 -33.671 1.00 31.44 H new ATOM 0 HZ1 LYS A 10 -21.929 -30.221 -35.638 1.00 14.44 H new ATOM 0 HZ2 LYS A 10 -22.040 -28.609 -35.115 1.00 14.44 H new ATOM 0 HZ3 LYS A 10 -21.086 -29.000 -36.464 1.00 14.44 H new ATOM 165 N THR A 11 -14.850 -26.668 -35.024 1.00 75.42 N ATOM 166 CA THR A 11 -13.565 -27.352 -35.076 1.00 45.15 C ATOM 167 C THR A 11 -12.835 -27.253 -33.741 1.00 43.34 C ATOM 168 O THR A 11 -12.407 -28.262 -33.179 1.00 53.01 O ATOM 169 CB THR A 11 -12.665 -26.774 -36.185 1.00 51.20 C ATOM 170 OG1 THR A 11 -12.893 -25.366 -36.316 1.00 61.24 O ATOM 171 CG2 THR A 11 -12.934 -27.463 -37.514 1.00 64.34 C ATOM 0 H THR A 11 -14.916 -25.848 -35.627 1.00 75.42 H new ATOM 0 HA THR A 11 -13.773 -28.399 -35.296 1.00 45.15 H new ATOM 0 HB THR A 11 -11.625 -26.949 -35.908 1.00 51.20 H new ATOM 0 HG1 THR A 11 -12.316 -25.005 -37.022 1.00 61.24 H new ATOM 0 HG21 THR A 11 -12.287 -27.038 -38.282 1.00 64.34 H new ATOM 0 HG22 THR A 11 -12.732 -28.530 -37.418 1.00 64.34 H new ATOM 0 HG23 THR A 11 -13.977 -27.315 -37.796 1.00 64.34 H new ATOM 179 N LEU A 12 -12.694 -26.032 -33.239 1.00 14.20 N ATOM 180 CA LEU A 12 -12.016 -25.800 -31.968 1.00 71.25 C ATOM 181 C LEU A 12 -12.355 -24.420 -31.414 1.00 11.25 C ATOM 182 O LEU A 12 -12.431 -23.441 -32.157 1.00 31.51 O ATOM 183 CB LEU A 12 -10.503 -25.934 -32.145 1.00 3.23 C ATOM 184 CG LEU A 12 -9.831 -24.874 -33.019 1.00 35.12 C ATOM 185 CD1 LEU A 12 -8.347 -24.784 -32.704 1.00 11.42 C ATOM 186 CD2 LEU A 12 -10.048 -25.184 -34.493 1.00 24.33 C ATOM 0 H LEU A 12 -13.040 -25.186 -33.692 1.00 14.20 H new ATOM 0 HA LEU A 12 -12.361 -26.551 -31.257 1.00 71.25 H new ATOM 0 HB2 LEU A 12 -10.039 -25.910 -31.159 1.00 3.23 H new ATOM 0 HB3 LEU A 12 -10.293 -26.914 -32.573 1.00 3.23 H new ATOM 0 HG LEU A 12 -10.286 -23.908 -32.800 1.00 35.12 H new ATOM 0 HD11 LEU A 12 -7.886 -24.025 -33.336 1.00 11.42 H new ATOM 0 HD12 LEU A 12 -8.213 -24.514 -31.656 1.00 11.42 H new ATOM 0 HD13 LEU A 12 -7.876 -25.748 -32.894 1.00 11.42 H new ATOM 0 HD21 LEU A 12 -9.563 -24.420 -35.101 1.00 24.33 H new ATOM 0 HD22 LEU A 12 -9.620 -26.159 -34.727 1.00 24.33 H new ATOM 0 HD23 LEU A 12 -11.116 -25.196 -34.709 1.00 24.33 H new ATOM 198 N LYS A 13 -12.555 -24.348 -30.102 1.00 74.53 N ATOM 199 CA LYS A 13 -12.882 -23.088 -29.445 1.00 63.41 C ATOM 200 C LYS A 13 -11.823 -22.724 -28.410 1.00 51.50 C ATOM 201 O LYS A 13 -10.905 -23.499 -28.147 1.00 41.22 O ATOM 202 CB LYS A 13 -14.255 -23.180 -28.775 1.00 61.25 C ATOM 203 CG LYS A 13 -14.235 -23.916 -27.447 1.00 35.23 C ATOM 204 CD LYS A 13 -14.377 -22.958 -26.276 1.00 31.02 C ATOM 205 CE LYS A 13 -15.225 -23.558 -25.164 1.00 52.41 C ATOM 206 NZ LYS A 13 -14.659 -24.843 -24.667 1.00 2.51 N1+ ATOM 0 H LYS A 13 -12.496 -25.148 -29.472 1.00 74.53 H new ATOM 0 HA LYS A 13 -12.907 -22.306 -30.204 1.00 63.41 H new ATOM 0 HB2 LYS A 13 -14.641 -22.173 -28.617 1.00 61.25 H new ATOM 0 HB3 LYS A 13 -14.946 -23.684 -29.450 1.00 61.25 H new ATOM 0 HG2 LYS A 13 -15.045 -24.645 -27.422 1.00 35.23 H new ATOM 0 HG3 LYS A 13 -13.302 -24.472 -27.352 1.00 35.23 H new ATOM 0 HD2 LYS A 13 -13.390 -22.708 -25.887 1.00 31.02 H new ATOM 0 HD3 LYS A 13 -14.830 -22.028 -26.619 1.00 31.02 H new ATOM 0 HE2 LYS A 13 -15.296 -22.849 -24.339 1.00 52.41 H new ATOM 0 HE3 LYS A 13 -16.238 -23.725 -25.530 1.00 52.41 H new ATOM 0 HZ1 LYS A 13 -15.174 -25.142 -23.814 1.00 2.51 H new ATOM 0 HZ2 LYS A 13 -14.754 -25.572 -25.403 1.00 2.51 H new ATOM 0 HZ3 LYS A 13 -13.653 -24.713 -24.437 1.00 2.51 H new ATOM 220 N GLY A 14 -11.957 -21.537 -27.825 1.00 72.31 N ATOM 221 CA GLY A 14 -11.005 -21.092 -26.824 1.00 53.44 C ATOM 222 C GLY A 14 -11.562 -19.988 -25.946 1.00 32.23 C ATOM 223 O GLY A 14 -12.774 -19.884 -25.763 1.00 62.11 O ATOM 0 H GLY A 14 -12.707 -20.876 -28.027 1.00 72.31 H new ATOM 0 HA2 GLY A 14 -10.716 -21.938 -26.200 1.00 53.44 H new ATOM 0 HA3 GLY A 14 -10.101 -20.738 -27.319 1.00 53.44 H new ATOM 227 N GLU A 15 -10.673 -19.163 -25.401 1.00 72.40 N ATOM 228 CA GLU A 15 -11.083 -18.064 -24.535 1.00 14.51 C ATOM 229 C GLU A 15 -9.902 -17.150 -24.220 1.00 2.11 C ATOM 230 O GLU A 15 -8.768 -17.608 -24.075 1.00 50.33 O ATOM 231 CB GLU A 15 -11.684 -18.605 -23.236 1.00 41.21 C ATOM 232 CG GLU A 15 -12.378 -17.545 -22.399 1.00 33.00 C ATOM 233 CD GLU A 15 -13.214 -18.139 -21.281 1.00 5.33 C ATOM 234 OE1 GLU A 15 -14.301 -17.593 -20.998 1.00 42.21 O ATOM 235 OE2 GLU A 15 -12.781 -19.149 -20.689 1.00 1.43 O1- ATOM 0 H GLU A 15 -9.666 -19.235 -25.544 1.00 72.40 H new ATOM 0 HA GLU A 15 -11.840 -17.483 -25.062 1.00 14.51 H new ATOM 0 HB2 GLU A 15 -12.399 -19.392 -23.476 1.00 41.21 H new ATOM 0 HB3 GLU A 15 -10.893 -19.064 -22.643 1.00 41.21 H new ATOM 0 HG2 GLU A 15 -11.630 -16.877 -21.972 1.00 33.00 H new ATOM 0 HG3 GLU A 15 -13.016 -16.940 -23.043 1.00 33.00 H new ATOM 242 N THR A 16 -10.177 -15.853 -24.115 1.00 64.02 N ATOM 243 CA THR A 16 -9.138 -14.874 -23.820 1.00 12.05 C ATOM 244 C THR A 16 -9.733 -13.608 -23.213 1.00 42.21 C ATOM 245 O THR A 16 -10.950 -13.420 -23.213 1.00 10.11 O ATOM 246 CB THR A 16 -8.342 -14.499 -25.084 1.00 72.14 C ATOM 247 OG1 THR A 16 -7.209 -13.699 -24.731 1.00 21.02 O ATOM 248 CG2 THR A 16 -9.218 -13.740 -26.069 1.00 32.22 C ATOM 0 H THR A 16 -11.110 -15.457 -24.230 1.00 64.02 H new ATOM 0 HA THR A 16 -8.463 -15.337 -23.100 1.00 12.05 H new ATOM 0 HB THR A 16 -8.002 -15.419 -25.558 1.00 72.14 H new ATOM 0 HG1 THR A 16 -6.708 -13.467 -25.540 1.00 21.02 H new ATOM 0 HG21 THR A 16 -8.634 -13.486 -26.954 1.00 32.22 H new ATOM 0 HG22 THR A 16 -10.064 -14.363 -26.359 1.00 32.22 H new ATOM 0 HG23 THR A 16 -9.584 -12.826 -25.601 1.00 32.22 H new ATOM 256 N THR A 17 -8.867 -12.741 -22.699 1.00 12.33 N ATOM 257 CA THR A 17 -9.308 -11.492 -22.089 1.00 4.32 C ATOM 258 C THR A 17 -8.567 -10.299 -22.683 1.00 2.10 C ATOM 259 O THR A 17 -7.397 -10.404 -23.055 1.00 50.51 O ATOM 260 CB THR A 17 -9.095 -11.505 -20.563 1.00 64.52 C ATOM 261 OG1 THR A 17 -7.774 -11.967 -20.257 1.00 35.25 O ATOM 262 CG2 THR A 17 -10.121 -12.400 -19.882 1.00 52.12 C ATOM 0 H THR A 17 -7.857 -12.880 -22.693 1.00 12.33 H new ATOM 0 HA THR A 17 -10.373 -11.397 -22.299 1.00 4.32 H new ATOM 0 HB THR A 17 -9.219 -10.488 -20.192 1.00 64.52 H new ATOM 0 HG1 THR A 17 -7.646 -11.971 -19.285 1.00 35.25 H new ATOM 0 HG21 THR A 17 -9.951 -12.394 -18.805 1.00 52.12 H new ATOM 0 HG22 THR A 17 -11.124 -12.030 -20.093 1.00 52.12 H new ATOM 0 HG23 THR A 17 -10.023 -13.418 -20.259 1.00 52.12 H new ATOM 270 N THR A 18 -9.254 -9.164 -22.769 1.00 22.31 N ATOM 271 CA THR A 18 -8.661 -7.952 -23.318 1.00 2.54 C ATOM 272 C THR A 18 -9.069 -6.725 -22.509 1.00 23.33 C ATOM 273 O THR A 18 -10.225 -6.591 -22.110 1.00 54.25 O ATOM 274 CB THR A 18 -9.071 -7.742 -24.788 1.00 23.14 C ATOM 275 OG1 THR A 18 -9.297 -9.007 -25.418 1.00 34.30 O ATOM 276 CG2 THR A 18 -7.995 -6.978 -25.545 1.00 44.33 C ATOM 0 H THR A 18 -10.222 -9.060 -22.465 1.00 22.31 H new ATOM 0 HA THR A 18 -7.580 -8.077 -23.264 1.00 2.54 H new ATOM 0 HB THR A 18 -9.991 -7.158 -24.807 1.00 23.14 H new ATOM 0 HG1 THR A 18 -9.559 -8.865 -26.352 1.00 34.30 H new ATOM 0 HG21 THR A 18 -8.306 -6.841 -26.581 1.00 44.33 H new ATOM 0 HG22 THR A 18 -7.845 -6.004 -25.080 1.00 44.33 H new ATOM 0 HG23 THR A 18 -7.062 -7.541 -25.518 1.00 44.33 H new ATOM 284 N GLU A 19 -8.112 -5.834 -22.270 1.00 43.54 N ATOM 285 CA GLU A 19 -8.374 -4.619 -21.508 1.00 43.13 C ATOM 286 C GLU A 19 -7.910 -3.385 -22.277 1.00 53.51 C ATOM 287 O GLU A 19 -6.719 -3.207 -22.528 1.00 62.32 O ATOM 288 CB GLU A 19 -7.671 -4.680 -20.150 1.00 75.33 C ATOM 289 CG GLU A 19 -6.175 -4.920 -20.249 1.00 64.13 C ATOM 290 CD GLU A 19 -5.549 -5.266 -18.912 1.00 55.41 C ATOM 291 OE1 GLU A 19 -6.294 -5.343 -17.912 1.00 63.52 O ATOM 292 OE2 GLU A 19 -4.316 -5.459 -18.865 1.00 10.35 O1- ATOM 0 H GLU A 19 -7.149 -5.931 -22.593 1.00 43.54 H new ATOM 0 HA GLU A 19 -9.450 -4.545 -21.349 1.00 43.13 H new ATOM 0 HB2 GLU A 19 -7.846 -3.745 -19.618 1.00 75.33 H new ATOM 0 HB3 GLU A 19 -8.119 -5.475 -19.554 1.00 75.33 H new ATOM 0 HG2 GLU A 19 -5.987 -5.730 -20.954 1.00 64.13 H new ATOM 0 HG3 GLU A 19 -5.694 -4.029 -20.651 1.00 64.13 H new ATOM 299 N ALA A 20 -8.862 -2.534 -22.648 1.00 42.41 N ATOM 300 CA ALA A 20 -8.553 -1.315 -23.386 1.00 61.43 C ATOM 301 C ALA A 20 -9.361 -0.134 -22.860 1.00 34.43 C ATOM 302 O ALA A 20 -10.505 -0.294 -22.434 1.00 52.30 O ATOM 303 CB ALA A 20 -8.815 -1.518 -24.871 1.00 42.42 C ATOM 0 H ALA A 20 -9.854 -2.667 -22.449 1.00 42.41 H new ATOM 0 HA ALA A 20 -7.496 -1.090 -23.242 1.00 61.43 H new ATOM 0 HB1 ALA A 20 -8.580 -0.600 -25.411 1.00 42.42 H new ATOM 0 HB2 ALA A 20 -8.188 -2.328 -25.244 1.00 42.42 H new ATOM 0 HB3 ALA A 20 -9.864 -1.771 -25.024 1.00 42.42 H new ATOM 309 N VAL A 21 -8.760 1.050 -22.893 1.00 11.54 N ATOM 310 CA VAL A 21 -9.425 2.259 -22.419 1.00 64.42 C ATOM 311 C VAL A 21 -10.699 2.531 -23.211 1.00 23.33 C ATOM 312 O VAL A 21 -11.645 3.127 -22.697 1.00 70.44 O ATOM 313 CB VAL A 21 -8.498 3.485 -22.522 1.00 32.04 C ATOM 314 CG1 VAL A 21 -8.136 3.761 -23.973 1.00 72.54 C ATOM 315 CG2 VAL A 21 -9.155 4.702 -21.887 1.00 45.25 C ATOM 0 H VAL A 21 -7.814 1.199 -23.243 1.00 11.54 H new ATOM 0 HA VAL A 21 -9.680 2.092 -21.372 1.00 64.42 H new ATOM 0 HB VAL A 21 -7.578 3.271 -21.978 1.00 32.04 H new ATOM 0 HG11 VAL A 21 -7.481 4.631 -24.025 1.00 72.54 H new ATOM 0 HG12 VAL A 21 -7.624 2.895 -24.391 1.00 72.54 H new ATOM 0 HG13 VAL A 21 -9.044 3.956 -24.544 1.00 72.54 H new ATOM 0 HG21 VAL A 21 -8.487 5.560 -21.968 1.00 45.25 H new ATOM 0 HG22 VAL A 21 -10.091 4.921 -22.402 1.00 45.25 H new ATOM 0 HG23 VAL A 21 -9.358 4.499 -20.836 1.00 45.25 H new ATOM 325 N ASP A 22 -10.717 2.087 -24.463 1.00 42.31 N ATOM 326 CA ASP A 22 -11.876 2.281 -25.326 1.00 1.33 C ATOM 327 C ASP A 22 -12.270 0.976 -26.008 1.00 73.21 C ATOM 328 O ASP A 22 -11.436 0.094 -26.214 1.00 2.50 O ATOM 329 CB ASP A 22 -11.583 3.352 -26.378 1.00 0.34 C ATOM 330 CG ASP A 22 -11.788 4.758 -25.846 1.00 65.24 C ATOM 331 OD1 ASP A 22 -10.950 5.216 -25.042 1.00 31.54 O ATOM 332 OD2 ASP A 22 -12.785 5.399 -26.237 1.00 73.30 O1- ATOM 0 H ASP A 22 -9.942 1.590 -24.903 1.00 42.31 H new ATOM 0 HA ASP A 22 -12.708 2.611 -24.705 1.00 1.33 H new ATOM 0 HB2 ASP A 22 -10.555 3.244 -26.725 1.00 0.34 H new ATOM 0 HB3 ASP A 22 -12.230 3.195 -27.241 1.00 0.34 H new ATOM 337 N ALA A 23 -13.548 0.857 -26.356 1.00 3.24 N ATOM 338 CA ALA A 23 -14.052 -0.341 -27.015 1.00 54.33 C ATOM 339 C ALA A 23 -13.459 -0.490 -28.412 1.00 5.03 C ATOM 340 O ALA A 23 -13.351 -1.598 -28.936 1.00 12.02 O ATOM 341 CB ALA A 23 -15.572 -0.304 -27.087 1.00 24.43 C ATOM 0 H ALA A 23 -14.253 1.576 -26.192 1.00 3.24 H new ATOM 0 HA ALA A 23 -13.747 -1.205 -26.425 1.00 54.33 H new ATOM 0 HB1 ALA A 23 -15.935 -1.205 -27.582 1.00 24.43 H new ATOM 0 HB2 ALA A 23 -15.983 -0.253 -26.079 1.00 24.43 H new ATOM 0 HB3 ALA A 23 -15.888 0.573 -27.652 1.00 24.43 H new ATOM 347 N ALA A 24 -13.075 0.633 -29.010 1.00 2.42 N ATOM 348 CA ALA A 24 -12.491 0.627 -30.346 1.00 1.04 C ATOM 349 C ALA A 24 -11.051 0.127 -30.313 1.00 20.15 C ATOM 350 O ALA A 24 -10.597 -0.552 -31.235 1.00 1.23 O ATOM 351 CB ALA A 24 -12.554 2.019 -30.955 1.00 53.41 C ATOM 0 H ALA A 24 -13.158 1.559 -28.590 1.00 2.42 H new ATOM 0 HA ALA A 24 -13.071 -0.056 -30.967 1.00 1.04 H new ATOM 0 HB1 ALA A 24 -12.115 2.000 -31.952 1.00 53.41 H new ATOM 0 HB2 ALA A 24 -13.594 2.340 -31.022 1.00 53.41 H new ATOM 0 HB3 ALA A 24 -11.999 2.716 -30.327 1.00 53.41 H new ATOM 357 N THR A 25 -10.335 0.468 -29.246 1.00 32.45 N ATOM 358 CA THR A 25 -8.946 0.055 -29.093 1.00 64.24 C ATOM 359 C THR A 25 -8.810 -1.461 -29.185 1.00 62.03 C ATOM 360 O THR A 25 -7.835 -1.974 -29.734 1.00 44.02 O ATOM 361 CB THR A 25 -8.361 0.531 -27.750 1.00 73.41 C ATOM 362 OG1 THR A 25 -8.424 1.959 -27.667 1.00 72.11 O ATOM 363 CG2 THR A 25 -6.920 0.071 -27.593 1.00 4.30 C ATOM 0 H THR A 25 -10.695 1.030 -28.474 1.00 32.45 H new ATOM 0 HA THR A 25 -8.388 0.518 -29.907 1.00 64.24 H new ATOM 0 HB THR A 25 -8.954 0.095 -26.946 1.00 73.41 H new ATOM 0 HG1 THR A 25 -8.052 2.254 -26.810 1.00 72.11 H new ATOM 0 HG21 THR A 25 -6.529 0.419 -26.637 1.00 4.30 H new ATOM 0 HG22 THR A 25 -6.880 -1.018 -27.626 1.00 4.30 H new ATOM 0 HG23 THR A 25 -6.317 0.481 -28.403 1.00 4.30 H new ATOM 371 N ALA A 26 -9.793 -2.173 -28.645 1.00 74.02 N ATOM 372 CA ALA A 26 -9.783 -3.630 -28.668 1.00 53.15 C ATOM 373 C ALA A 26 -10.260 -4.160 -30.017 1.00 23.31 C ATOM 374 O ALA A 26 -9.889 -5.260 -30.428 1.00 2.03 O ATOM 375 CB ALA A 26 -10.651 -4.182 -27.547 1.00 11.33 C ATOM 0 H ALA A 26 -10.607 -1.764 -28.186 1.00 74.02 H new ATOM 0 HA ALA A 26 -8.757 -3.964 -28.516 1.00 53.15 H new ATOM 0 HB1 ALA A 26 -10.634 -5.271 -27.577 1.00 11.33 H new ATOM 0 HB2 ALA A 26 -10.266 -3.839 -26.587 1.00 11.33 H new ATOM 0 HB3 ALA A 26 -11.675 -3.832 -27.674 1.00 11.33 H new ATOM 381 N GLU A 27 -11.083 -3.372 -30.701 1.00 4.11 N ATOM 382 CA GLU A 27 -11.610 -3.765 -32.003 1.00 11.53 C ATOM 383 C GLU A 27 -10.525 -3.694 -33.073 1.00 23.50 C ATOM 384 O GLU A 27 -10.383 -4.605 -33.890 1.00 52.42 O ATOM 385 CB GLU A 27 -12.785 -2.865 -32.394 1.00 72.31 C ATOM 386 CG GLU A 27 -14.115 -3.315 -31.812 1.00 43.22 C ATOM 387 CD GLU A 27 -14.497 -4.718 -32.246 1.00 0.43 C ATOM 388 OE1 GLU A 27 -14.668 -4.935 -33.464 1.00 23.21 O ATOM 389 OE2 GLU A 27 -14.625 -5.596 -31.369 1.00 4.43 O1- ATOM 0 H GLU A 27 -11.399 -2.458 -30.376 1.00 4.11 H new ATOM 0 HA GLU A 27 -11.958 -4.795 -31.930 1.00 11.53 H new ATOM 0 HB2 GLU A 27 -12.578 -1.847 -32.063 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -12.864 -2.837 -33.481 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -14.063 -3.277 -30.724 1.00 43.22 H new ATOM 0 HG3 GLU A 27 -14.896 -2.619 -32.118 1.00 43.22 H new ATOM 396 N LYS A 28 -9.760 -2.608 -33.061 1.00 43.34 N ATOM 397 CA LYS A 28 -8.686 -2.418 -34.029 1.00 2.12 C ATOM 398 C LYS A 28 -7.648 -3.529 -33.916 1.00 23.24 C ATOM 399 O LYS A 28 -6.965 -3.857 -34.886 1.00 44.21 O ATOM 400 CB LYS A 28 -8.017 -1.058 -33.818 1.00 40.24 C ATOM 401 CG LYS A 28 -7.506 -0.843 -32.404 1.00 74.32 C ATOM 402 CD LYS A 28 -6.533 0.322 -32.333 1.00 34.15 C ATOM 403 CE LYS A 28 -7.263 1.656 -32.301 1.00 4.23 C ATOM 404 NZ LYS A 28 -6.328 2.803 -32.472 1.00 4.24 N1+ ATOM 0 H LYS A 28 -9.864 -1.846 -32.391 1.00 43.34 H new ATOM 0 HA LYS A 28 -9.121 -2.452 -35.028 1.00 2.12 H new ATOM 0 HB2 LYS A 28 -7.184 -0.960 -34.515 1.00 40.24 H new ATOM 0 HB3 LYS A 28 -8.730 -0.270 -34.061 1.00 40.24 H new ATOM 0 HG2 LYS A 28 -8.347 -0.656 -31.737 1.00 74.32 H new ATOM 0 HG3 LYS A 28 -7.015 -1.750 -32.052 1.00 74.32 H new ATOM 0 HD2 LYS A 28 -5.911 0.225 -31.443 1.00 34.15 H new ATOM 0 HD3 LYS A 28 -5.865 0.292 -33.193 1.00 34.15 H new ATOM 0 HE2 LYS A 28 -8.014 1.678 -33.091 1.00 4.23 H new ATOM 0 HE3 LYS A 28 -7.793 1.757 -31.354 1.00 4.23 H new ATOM 0 HZ1 LYS A 28 -6.863 3.694 -32.445 1.00 4.24 H new ATOM 0 HZ2 LYS A 28 -5.627 2.797 -31.704 1.00 4.24 H new ATOM 0 HZ3 LYS A 28 -5.840 2.720 -33.387 1.00 4.24 H new ATOM 418 N VAL A 29 -7.535 -4.108 -32.724 1.00 21.30 N ATOM 419 CA VAL A 29 -6.582 -5.185 -32.485 1.00 25.12 C ATOM 420 C VAL A 29 -7.024 -6.473 -33.170 1.00 3.02 C ATOM 421 O VAL A 29 -6.202 -7.220 -33.702 1.00 53.33 O ATOM 422 CB VAL A 29 -6.405 -5.454 -30.978 1.00 45.21 C ATOM 423 CG1 VAL A 29 -5.413 -6.584 -30.749 1.00 44.51 C ATOM 424 CG2 VAL A 29 -5.958 -4.188 -30.261 1.00 72.10 C ATOM 0 H VAL A 29 -8.092 -3.849 -31.910 1.00 21.30 H new ATOM 0 HA VAL A 29 -5.629 -4.862 -32.904 1.00 25.12 H new ATOM 0 HB VAL A 29 -7.367 -5.759 -30.566 1.00 45.21 H new ATOM 0 HG11 VAL A 29 -5.301 -6.759 -29.679 1.00 44.51 H new ATOM 0 HG12 VAL A 29 -5.778 -7.492 -31.229 1.00 44.51 H new ATOM 0 HG13 VAL A 29 -4.447 -6.312 -31.175 1.00 44.51 H new ATOM 0 HG21 VAL A 29 -5.838 -4.395 -29.198 1.00 72.10 H new ATOM 0 HG22 VAL A 29 -5.007 -3.852 -30.675 1.00 72.10 H new ATOM 0 HG23 VAL A 29 -6.708 -3.409 -30.396 1.00 72.10 H new ATOM 434 N PHE A 30 -8.329 -6.728 -33.153 1.00 64.42 N ATOM 435 CA PHE A 30 -8.880 -7.927 -33.773 1.00 35.02 C ATOM 436 C PHE A 30 -8.641 -7.920 -35.280 1.00 62.14 C ATOM 437 O PHE A 30 -8.570 -8.973 -35.915 1.00 3.15 O ATOM 438 CB PHE A 30 -10.380 -8.031 -33.485 1.00 12.44 C ATOM 439 CG PHE A 30 -10.691 -8.588 -32.124 1.00 52.15 C ATOM 440 CD1 PHE A 30 -10.146 -9.794 -31.713 1.00 52.04 C ATOM 441 CD2 PHE A 30 -11.529 -7.906 -31.258 1.00 11.01 C ATOM 442 CE1 PHE A 30 -10.430 -10.309 -30.463 1.00 11.44 C ATOM 443 CE2 PHE A 30 -11.817 -8.415 -30.005 1.00 32.40 C ATOM 444 CZ PHE A 30 -11.268 -9.620 -29.608 1.00 5.33 C ATOM 0 H PHE A 30 -9.023 -6.121 -32.717 1.00 64.42 H new ATOM 0 HA PHE A 30 -8.373 -8.792 -33.346 1.00 35.02 H new ATOM 0 HB2 PHE A 30 -10.829 -7.042 -33.576 1.00 12.44 H new ATOM 0 HB3 PHE A 30 -10.845 -8.662 -34.242 1.00 12.44 H new ATOM 0 HD1 PHE A 30 -9.491 -10.338 -32.378 1.00 52.04 H new ATOM 0 HD2 PHE A 30 -11.963 -6.966 -31.565 1.00 11.01 H new ATOM 0 HE1 PHE A 30 -9.997 -11.249 -30.155 1.00 11.44 H new ATOM 0 HE2 PHE A 30 -12.470 -7.872 -29.338 1.00 32.40 H new ATOM 0 HZ PHE A 30 -11.494 -10.022 -28.631 1.00 5.33 H new ATOM 454 N LYS A 31 -8.517 -6.725 -35.848 1.00 13.35 N ATOM 455 CA LYS A 31 -8.285 -6.578 -37.280 1.00 22.03 C ATOM 456 C LYS A 31 -6.952 -7.200 -37.681 1.00 4.01 C ATOM 457 O LYS A 31 -6.900 -8.077 -38.542 1.00 74.12 O ATOM 458 CB LYS A 31 -8.309 -5.099 -37.671 1.00 52.34 C ATOM 459 CG LYS A 31 -9.619 -4.403 -37.345 1.00 74.40 C ATOM 460 CD LYS A 31 -10.653 -4.622 -38.436 1.00 13.51 C ATOM 461 CE LYS A 31 -11.939 -3.862 -38.145 1.00 21.40 C ATOM 462 NZ LYS A 31 -12.755 -3.662 -39.374 1.00 50.35 N1+ ATOM 0 H LYS A 31 -8.573 -5.844 -35.338 1.00 13.35 H new ATOM 0 HA LYS A 31 -9.083 -7.100 -37.809 1.00 22.03 H new ATOM 0 HB2 LYS A 31 -7.497 -4.584 -37.159 1.00 52.34 H new ATOM 0 HB3 LYS A 31 -8.118 -5.012 -38.741 1.00 52.34 H new ATOM 0 HG2 LYS A 31 -10.005 -4.777 -36.397 1.00 74.40 H new ATOM 0 HG3 LYS A 31 -9.443 -3.335 -37.218 1.00 74.40 H new ATOM 0 HD2 LYS A 31 -10.247 -4.299 -39.394 1.00 13.51 H new ATOM 0 HD3 LYS A 31 -10.870 -5.686 -38.525 1.00 13.51 H new ATOM 0 HE2 LYS A 31 -12.524 -4.408 -37.405 1.00 21.40 H new ATOM 0 HE3 LYS A 31 -11.697 -2.893 -37.708 1.00 21.40 H new ATOM 0 HZ1 LYS A 31 -13.622 -3.141 -39.134 1.00 50.35 H new ATOM 0 HZ2 LYS A 31 -12.206 -3.119 -40.071 1.00 50.35 H new ATOM 0 HZ3 LYS A 31 -13.007 -4.587 -39.777 1.00 50.35 H new ATOM 476 N GLN A 32 -5.876 -6.740 -37.050 1.00 12.22 N ATOM 477 CA GLN A 32 -4.543 -7.253 -37.342 1.00 64.31 C ATOM 478 C GLN A 32 -4.472 -8.757 -37.099 1.00 73.14 C ATOM 479 O GLN A 32 -3.660 -9.457 -37.705 1.00 72.14 O ATOM 480 CB GLN A 32 -3.498 -6.537 -36.483 1.00 31.11 C ATOM 481 CG GLN A 32 -2.075 -6.710 -36.987 1.00 43.12 C ATOM 482 CD GLN A 32 -1.136 -5.642 -36.461 1.00 30.42 C ATOM 483 OE1 GLN A 32 -1.080 -5.387 -35.257 1.00 41.20 O ATOM 484 NE2 GLN A 32 -0.392 -5.011 -37.361 1.00 61.01 N ATOM 0 H GLN A 32 -5.902 -6.014 -36.334 1.00 12.22 H new ATOM 0 HA GLN A 32 -4.332 -7.063 -38.394 1.00 64.31 H new ATOM 0 HB2 GLN A 32 -3.735 -5.474 -36.448 1.00 31.11 H new ATOM 0 HB3 GLN A 32 -3.561 -6.912 -35.461 1.00 31.11 H new ATOM 0 HG2 GLN A 32 -1.705 -7.692 -36.690 1.00 43.12 H new ATOM 0 HG3 GLN A 32 -2.074 -6.685 -38.077 1.00 43.12 H new ATOM 0 HE21 GLN A 32 -0.470 -5.254 -38.348 1.00 61.01 H new ATOM 0 HE22 GLN A 32 0.258 -4.283 -37.065 1.00 61.01 H new ATOM 493 N TYR A 33 -5.328 -9.249 -36.210 1.00 0.51 N ATOM 494 CA TYR A 33 -5.362 -10.669 -35.885 1.00 64.52 C ATOM 495 C TYR A 33 -6.198 -11.441 -36.903 1.00 3.34 C ATOM 496 O TYR A 33 -5.978 -12.631 -37.129 1.00 3.14 O ATOM 497 CB TYR A 33 -5.927 -10.880 -34.480 1.00 74.12 C ATOM 498 CG TYR A 33 -4.892 -10.754 -33.386 1.00 2.13 C ATOM 499 CD1 TYR A 33 -4.207 -9.562 -33.184 1.00 44.13 C ATOM 500 CD2 TYR A 33 -4.596 -11.827 -32.554 1.00 14.23 C ATOM 501 CE1 TYR A 33 -3.259 -9.442 -32.187 1.00 22.11 C ATOM 502 CE2 TYR A 33 -3.652 -11.716 -31.553 1.00 11.55 C ATOM 503 CZ TYR A 33 -2.985 -10.522 -31.373 1.00 40.41 C ATOM 504 OH TYR A 33 -2.042 -10.408 -30.377 1.00 2.51 O ATOM 0 H TYR A 33 -6.008 -8.684 -35.701 1.00 0.51 H new ATOM 0 HA TYR A 33 -4.340 -11.047 -35.918 1.00 64.52 H new ATOM 0 HB2 TYR A 33 -6.720 -10.153 -34.304 1.00 74.12 H new ATOM 0 HB3 TYR A 33 -6.383 -11.869 -34.425 1.00 74.12 H new ATOM 0 HD1 TYR A 33 -4.420 -8.714 -33.818 1.00 44.13 H new ATOM 0 HD2 TYR A 33 -5.114 -12.765 -32.693 1.00 14.23 H new ATOM 0 HE1 TYR A 33 -2.735 -8.508 -32.045 1.00 22.11 H new ATOM 0 HE2 TYR A 33 -3.437 -12.560 -30.914 1.00 11.55 H new ATOM 0 HH TYR A 33 -1.971 -11.258 -29.895 1.00 2.51 H new ATOM 514 N PHE A 34 -7.157 -10.754 -37.514 1.00 1.24 N ATOM 515 CA PHE A 34 -8.027 -11.373 -38.506 1.00 71.25 C ATOM 516 C PHE A 34 -7.207 -12.057 -39.597 1.00 75.23 C ATOM 517 O PHE A 34 -7.602 -13.095 -40.125 1.00 24.13 O ATOM 518 CB PHE A 34 -8.952 -10.325 -39.129 1.00 45.01 C ATOM 519 CG PHE A 34 -10.190 -10.910 -39.746 1.00 40.33 C ATOM 520 CD1 PHE A 34 -11.154 -11.515 -38.957 1.00 50.01 C ATOM 521 CD2 PHE A 34 -10.390 -10.854 -41.117 1.00 32.15 C ATOM 522 CE1 PHE A 34 -12.295 -12.054 -39.521 1.00 32.33 C ATOM 523 CE2 PHE A 34 -11.529 -11.390 -41.687 1.00 24.42 C ATOM 524 CZ PHE A 34 -12.482 -11.992 -40.889 1.00 24.34 C ATOM 0 H PHE A 34 -7.351 -9.768 -37.339 1.00 1.24 H new ATOM 0 HA PHE A 34 -8.631 -12.128 -38.003 1.00 71.25 H new ATOM 0 HB2 PHE A 34 -9.242 -9.606 -38.362 1.00 45.01 H new ATOM 0 HB3 PHE A 34 -8.402 -9.773 -39.891 1.00 45.01 H new ATOM 0 HD1 PHE A 34 -11.012 -11.566 -37.888 1.00 50.01 H new ATOM 0 HD2 PHE A 34 -9.647 -10.386 -41.746 1.00 32.15 H new ATOM 0 HE1 PHE A 34 -13.039 -12.523 -38.894 1.00 32.33 H new ATOM 0 HE2 PHE A 34 -11.674 -11.338 -42.756 1.00 24.42 H new ATOM 0 HZ PHE A 34 -13.372 -12.414 -41.333 1.00 24.34 H new ATOM 534 N ASN A 35 -6.065 -11.465 -39.929 1.00 25.20 N ATOM 535 CA ASN A 35 -5.188 -12.016 -40.957 1.00 13.22 C ATOM 536 C ASN A 35 -4.294 -13.110 -40.382 1.00 14.35 C ATOM 537 O ASN A 35 -3.916 -14.048 -41.082 1.00 32.43 O ATOM 538 CB ASN A 35 -4.328 -10.909 -41.570 1.00 15.24 C ATOM 539 CG ASN A 35 -3.705 -11.324 -42.888 1.00 53.00 C ATOM 540 OD1 ASN A 35 -2.892 -12.247 -42.939 1.00 50.44 O ATOM 541 ND2 ASN A 35 -4.085 -10.642 -43.963 1.00 2.01 N ATOM 0 H ASN A 35 -5.724 -10.604 -39.502 1.00 25.20 H new ATOM 0 HA ASN A 35 -5.813 -12.455 -41.735 1.00 13.22 H new ATOM 0 HB2 ASN A 35 -4.940 -10.021 -41.724 1.00 15.24 H new ATOM 0 HB3 ASN A 35 -3.540 -10.635 -40.869 1.00 15.24 H new ATOM 0 HD21 ASN A 35 -3.700 -10.876 -44.878 1.00 2.01 H new ATOM 0 HD22 ASN A 35 -4.762 -9.884 -43.873 1.00 2.01 H new ATOM 548 N ASP A 36 -3.961 -12.981 -39.101 1.00 72.53 N ATOM 549 CA ASP A 36 -3.113 -13.959 -38.431 1.00 31.41 C ATOM 550 C ASP A 36 -3.692 -15.365 -38.566 1.00 53.41 C ATOM 551 O ASP A 36 -2.973 -16.316 -38.865 1.00 51.11 O ATOM 552 CB ASP A 36 -2.955 -13.600 -36.952 1.00 41.52 C ATOM 553 CG ASP A 36 -1.819 -14.356 -36.292 1.00 10.32 C ATOM 554 OD1 ASP A 36 -1.837 -14.488 -35.050 1.00 11.35 O ATOM 555 OD2 ASP A 36 -0.912 -14.817 -37.016 1.00 52.10 O1- ATOM 0 H ASP A 36 -4.266 -12.209 -38.508 1.00 72.53 H new ATOM 0 HA ASP A 36 -2.133 -13.941 -38.909 1.00 31.41 H new ATOM 0 HB2 ASP A 36 -2.778 -12.529 -36.858 1.00 41.52 H new ATOM 0 HB3 ASP A 36 -3.885 -13.817 -36.427 1.00 41.52 H new ATOM 560 N ASN A 37 -4.996 -15.485 -38.342 1.00 14.32 N ATOM 561 CA ASN A 37 -5.673 -16.774 -38.437 1.00 4.12 C ATOM 562 C ASN A 37 -6.443 -16.889 -39.748 1.00 70.12 C ATOM 563 O ASN A 37 -6.756 -17.989 -40.203 1.00 4.34 O ATOM 564 CB ASN A 37 -6.625 -16.962 -37.254 1.00 22.42 C ATOM 565 CG ASN A 37 -5.949 -17.621 -36.067 1.00 54.21 C ATOM 566 OD1 ASN A 37 -4.955 -18.330 -36.218 1.00 50.32 O ATOM 567 ND2 ASN A 37 -6.489 -17.388 -34.875 1.00 64.23 N ATOM 0 H ASN A 37 -5.606 -14.706 -38.093 1.00 14.32 H new ATOM 0 HA ASN A 37 -4.915 -17.557 -38.412 1.00 4.12 H new ATOM 0 HB2 ASN A 37 -7.020 -15.992 -36.951 1.00 22.42 H new ATOM 0 HB3 ASN A 37 -7.475 -17.569 -37.568 1.00 22.42 H new ATOM 0 HD21 ASN A 37 -6.078 -17.804 -34.039 1.00 64.23 H new ATOM 0 HD22 ASN A 37 -7.314 -16.793 -34.796 1.00 64.23 H new ATOM 574 N GLY A 38 -6.745 -15.744 -40.353 1.00 34.21 N ATOM 575 CA GLY A 38 -7.476 -15.737 -41.607 1.00 32.44 C ATOM 576 C GLY A 38 -8.852 -16.362 -41.479 1.00 73.32 C ATOM 577 O GLY A 38 -9.417 -16.843 -42.462 1.00 21.11 O ATOM 0 H GLY A 38 -6.496 -14.821 -39.997 1.00 34.21 H new ATOM 0 HA2 GLY A 38 -7.578 -14.710 -41.959 1.00 32.44 H new ATOM 0 HA3 GLY A 38 -6.903 -16.277 -42.361 1.00 32.44 H new ATOM 581 N LEU A 39 -9.392 -16.356 -40.266 1.00 30.05 N ATOM 582 CA LEU A 39 -10.710 -16.928 -40.012 1.00 63.52 C ATOM 583 C LEU A 39 -11.813 -15.963 -40.434 1.00 44.43 C ATOM 584 O LEU A 39 -11.599 -14.752 -40.502 1.00 45.03 O ATOM 585 CB LEU A 39 -10.860 -17.275 -38.529 1.00 73.54 C ATOM 586 CG LEU A 39 -10.359 -18.658 -38.110 1.00 71.34 C ATOM 587 CD1 LEU A 39 -10.382 -18.797 -36.596 1.00 33.32 C ATOM 588 CD2 LEU A 39 -11.196 -19.749 -38.762 1.00 1.14 C ATOM 0 H LEU A 39 -8.938 -15.961 -39.442 1.00 30.05 H new ATOM 0 HA LEU A 39 -10.804 -17.839 -40.603 1.00 63.52 H new ATOM 0 HB2 LEU A 39 -10.327 -16.525 -37.945 1.00 73.54 H new ATOM 0 HB3 LEU A 39 -11.914 -17.196 -38.263 1.00 73.54 H new ATOM 0 HG LEU A 39 -9.329 -18.769 -38.448 1.00 71.34 H new ATOM 0 HD11 LEU A 39 -10.022 -19.787 -36.316 1.00 33.32 H new ATOM 0 HD12 LEU A 39 -9.739 -18.038 -36.151 1.00 33.32 H new ATOM 0 HD13 LEU A 39 -11.402 -18.666 -36.234 1.00 33.32 H new ATOM 0 HD21 LEU A 39 -10.825 -20.726 -38.452 1.00 1.14 H new ATOM 0 HD22 LEU A 39 -12.236 -19.642 -38.455 1.00 1.14 H new ATOM 0 HD23 LEU A 39 -11.127 -19.662 -39.846 1.00 1.14 H new ATOM 600 N ASP A 40 -12.993 -16.505 -40.713 1.00 23.32 N ATOM 601 CA ASP A 40 -14.130 -15.692 -41.125 1.00 31.44 C ATOM 602 C ASP A 40 -15.192 -15.650 -40.031 1.00 11.13 C ATOM 603 O ASP A 40 -16.389 -15.629 -40.314 1.00 74.43 O ATOM 604 CB ASP A 40 -14.734 -16.240 -42.419 1.00 2.00 C ATOM 605 CG ASP A 40 -13.691 -16.467 -43.494 1.00 43.15 C ATOM 606 OD1 ASP A 40 -12.889 -17.415 -43.354 1.00 34.04 O ATOM 607 OD2 ASP A 40 -13.675 -15.697 -44.478 1.00 1.34 O1- ATOM 0 H ASP A 40 -13.187 -17.505 -40.661 1.00 23.32 H new ATOM 0 HA ASP A 40 -13.775 -14.677 -41.301 1.00 31.44 H new ATOM 0 HB2 ASP A 40 -15.245 -17.180 -42.209 1.00 2.00 H new ATOM 0 HB3 ASP A 40 -15.487 -15.544 -42.789 1.00 2.00 H new ATOM 612 N GLY A 41 -14.745 -15.640 -38.778 1.00 53.44 N ATOM 613 CA GLY A 41 -15.670 -15.601 -37.661 1.00 32.20 C ATOM 614 C GLY A 41 -16.302 -14.235 -37.477 1.00 70.31 C ATOM 615 O GLY A 41 -15.727 -13.222 -37.870 1.00 4.21 O ATOM 0 H GLY A 41 -13.759 -15.658 -38.517 1.00 53.44 H new ATOM 0 HA2 GLY A 41 -16.454 -16.342 -37.817 1.00 32.20 H new ATOM 0 HA3 GLY A 41 -15.144 -15.880 -36.748 1.00 32.20 H new ATOM 619 N GLU A 42 -17.490 -14.210 -36.881 1.00 72.22 N ATOM 620 CA GLU A 42 -18.201 -12.958 -36.649 1.00 62.11 C ATOM 621 C GLU A 42 -18.185 -12.590 -35.169 1.00 0.55 C ATOM 622 O GLU A 42 -18.756 -13.295 -34.337 1.00 35.52 O ATOM 623 CB GLU A 42 -19.644 -13.067 -37.144 1.00 52.01 C ATOM 624 CG GLU A 42 -19.758 -13.351 -38.632 1.00 63.13 C ATOM 625 CD GLU A 42 -21.181 -13.227 -39.143 1.00 44.24 C ATOM 626 OE1 GLU A 42 -21.449 -13.697 -40.268 1.00 70.21 O ATOM 627 OE2 GLU A 42 -22.025 -12.660 -38.418 1.00 43.43 O1- ATOM 0 H GLU A 42 -17.980 -15.041 -36.550 1.00 72.22 H new ATOM 0 HA GLU A 42 -17.692 -12.171 -37.206 1.00 62.11 H new ATOM 0 HB2 GLU A 42 -20.150 -13.859 -36.592 1.00 52.01 H new ATOM 0 HB3 GLU A 42 -20.167 -12.138 -36.919 1.00 52.01 H new ATOM 0 HG2 GLU A 42 -19.118 -12.660 -39.180 1.00 63.13 H new ATOM 0 HG3 GLU A 42 -19.389 -14.356 -38.835 1.00 63.13 H new ATOM 634 N TRP A 43 -17.528 -11.482 -34.847 1.00 51.13 N ATOM 635 CA TRP A 43 -17.436 -11.020 -33.467 1.00 55.51 C ATOM 636 C TRP A 43 -18.717 -10.305 -33.047 1.00 4.43 C ATOM 637 O TRP A 43 -19.337 -9.600 -33.844 1.00 30.20 O ATOM 638 CB TRP A 43 -16.238 -10.086 -33.298 1.00 40.54 C ATOM 639 CG TRP A 43 -15.002 -10.786 -32.818 1.00 12.12 C ATOM 640 CD1 TRP A 43 -14.394 -10.634 -31.605 1.00 3.53 C ATOM 641 CD2 TRP A 43 -14.226 -11.746 -33.541 1.00 33.33 C ATOM 642 NE1 TRP A 43 -13.285 -11.441 -31.531 1.00 21.33 N ATOM 643 CE2 TRP A 43 -13.160 -12.136 -32.706 1.00 10.54 C ATOM 644 CE3 TRP A 43 -14.328 -12.317 -34.812 1.00 60.40 C ATOM 645 CZ2 TRP A 43 -12.205 -13.067 -33.102 1.00 72.42 C ATOM 646 CZ3 TRP A 43 -13.378 -13.243 -35.205 1.00 54.24 C ATOM 647 CH2 TRP A 43 -12.329 -13.611 -34.353 1.00 0.13 C ATOM 0 H TRP A 43 -17.051 -10.886 -35.523 1.00 51.13 H new ATOM 0 HA TRP A 43 -17.300 -11.891 -32.827 1.00 55.51 H new ATOM 0 HB2 TRP A 43 -16.026 -9.603 -34.252 1.00 40.54 H new ATOM 0 HB3 TRP A 43 -16.498 -9.298 -32.592 1.00 40.54 H new ATOM 0 HD1 TRP A 43 -14.735 -9.976 -30.819 1.00 3.53 H new ATOM 0 HE1 TRP A 43 -12.656 -11.512 -30.731 1.00 21.33 H new ATOM 0 HE3 TRP A 43 -15.134 -12.041 -35.476 1.00 60.40 H new ATOM 0 HZ2 TRP A 43 -11.395 -13.351 -32.447 1.00 72.42 H new ATOM 0 HZ3 TRP A 43 -13.447 -13.690 -36.186 1.00 54.24 H new ATOM 0 HH2 TRP A 43 -11.604 -14.338 -34.689 1.00 0.13 H new ATOM 658 N THR A 44 -19.107 -10.490 -31.790 1.00 11.45 N ATOM 659 CA THR A 44 -20.314 -9.863 -31.265 1.00 25.43 C ATOM 660 C THR A 44 -20.066 -9.263 -29.885 1.00 41.45 C ATOM 661 O THR A 44 -19.039 -9.525 -29.260 1.00 0.05 O ATOM 662 CB THR A 44 -21.476 -10.871 -31.171 1.00 41.34 C ATOM 663 OG1 THR A 44 -21.318 -11.892 -32.163 1.00 73.22 O ATOM 664 CG2 THR A 44 -22.814 -10.173 -31.363 1.00 21.42 C ATOM 0 H THR A 44 -18.605 -11.069 -31.117 1.00 11.45 H new ATOM 0 HA THR A 44 -20.586 -9.069 -31.961 1.00 25.43 H new ATOM 0 HB THR A 44 -21.459 -11.322 -30.179 1.00 41.34 H new ATOM 0 HG1 THR A 44 -20.607 -12.508 -31.888 1.00 73.22 H new ATOM 0 HG21 THR A 44 -23.619 -10.904 -31.293 1.00 21.42 H new ATOM 0 HG22 THR A 44 -22.943 -9.415 -30.590 1.00 21.42 H new ATOM 0 HG23 THR A 44 -22.839 -9.699 -32.344 1.00 21.42 H new ATOM 672 N TYR A 45 -21.013 -8.457 -29.417 1.00 33.31 N ATOM 673 CA TYR A 45 -20.895 -7.819 -28.112 1.00 15.32 C ATOM 674 C TYR A 45 -22.044 -8.234 -27.197 1.00 4.44 C ATOM 675 O TYR A 45 -23.207 -7.933 -27.467 1.00 1.35 O ATOM 676 CB TYR A 45 -20.876 -6.296 -28.266 1.00 33.44 C ATOM 677 CG TYR A 45 -21.937 -5.769 -29.206 1.00 21.31 C ATOM 678 CD1 TYR A 45 -23.158 -5.316 -28.723 1.00 21.15 C ATOM 679 CD2 TYR A 45 -21.718 -5.725 -30.577 1.00 22.51 C ATOM 680 CE1 TYR A 45 -24.131 -4.834 -29.578 1.00 30.52 C ATOM 681 CE2 TYR A 45 -22.684 -5.244 -31.440 1.00 23.44 C ATOM 682 CZ TYR A 45 -23.889 -4.800 -30.935 1.00 60.14 C ATOM 683 OH TYR A 45 -24.854 -4.321 -31.792 1.00 31.25 O ATOM 0 H TYR A 45 -21.870 -8.230 -29.922 1.00 33.31 H new ATOM 0 HA TYR A 45 -19.958 -8.144 -27.660 1.00 15.32 H new ATOM 0 HB2 TYR A 45 -21.011 -5.838 -27.286 1.00 33.44 H new ATOM 0 HB3 TYR A 45 -19.895 -5.988 -28.629 1.00 33.44 H new ATOM 0 HD1 TYR A 45 -23.350 -5.341 -27.661 1.00 21.15 H new ATOM 0 HD2 TYR A 45 -20.776 -6.073 -30.975 1.00 22.51 H new ATOM 0 HE1 TYR A 45 -25.075 -4.486 -29.186 1.00 30.52 H new ATOM 0 HE2 TYR A 45 -22.497 -5.216 -32.503 1.00 23.44 H new ATOM 0 HH TYR A 45 -24.524 -4.365 -32.714 1.00 31.25 H new ATOM 693 N ASP A 46 -21.708 -8.926 -26.114 1.00 20.13 N ATOM 694 CA ASP A 46 -22.709 -9.382 -25.157 1.00 54.12 C ATOM 695 C ASP A 46 -22.672 -8.536 -23.888 1.00 74.42 C ATOM 696 O ASP A 46 -22.051 -8.914 -22.895 1.00 23.32 O ATOM 697 CB ASP A 46 -22.481 -10.854 -24.811 1.00 21.25 C ATOM 698 CG ASP A 46 -22.708 -11.770 -25.996 1.00 71.31 C ATOM 699 OD1 ASP A 46 -23.014 -11.256 -27.093 1.00 23.42 O ATOM 700 OD2 ASP A 46 -22.580 -13.001 -25.828 1.00 42.04 O1- ATOM 0 H ASP A 46 -20.750 -9.183 -25.877 1.00 20.13 H new ATOM 0 HA ASP A 46 -23.692 -9.273 -25.616 1.00 54.12 H new ATOM 0 HB2 ASP A 46 -21.463 -10.984 -24.445 1.00 21.25 H new ATOM 0 HB3 ASP A 46 -23.150 -11.141 -24.000 1.00 21.25 H new ATOM 705 N ASP A 47 -23.342 -7.389 -23.928 1.00 54.10 N ATOM 706 CA ASP A 47 -23.387 -6.489 -22.782 1.00 22.40 C ATOM 707 C ASP A 47 -23.926 -7.206 -21.548 1.00 60.53 C ATOM 708 O ASP A 47 -23.636 -6.819 -20.417 1.00 15.12 O ATOM 709 CB ASP A 47 -24.254 -5.269 -23.097 1.00 42.04 C ATOM 710 CG ASP A 47 -23.885 -4.063 -22.257 1.00 23.55 C ATOM 711 OD1 ASP A 47 -24.805 -3.355 -21.798 1.00 10.12 O ATOM 712 OD2 ASP A 47 -22.675 -3.829 -22.055 1.00 52.51 O1- ATOM 0 H ASP A 47 -23.861 -7.061 -24.742 1.00 54.10 H new ATOM 0 HA ASP A 47 -22.370 -6.158 -22.573 1.00 22.40 H new ATOM 0 HB2 ASP A 47 -24.152 -5.018 -24.153 1.00 42.04 H new ATOM 0 HB3 ASP A 47 -25.302 -5.518 -22.929 1.00 42.04 H new ATOM 717 N ALA A 48 -24.711 -8.254 -21.775 1.00 73.25 N ATOM 718 CA ALA A 48 -25.291 -9.026 -20.683 1.00 64.12 C ATOM 719 C ALA A 48 -24.219 -9.458 -19.688 1.00 44.51 C ATOM 720 O ALA A 48 -24.456 -9.492 -18.480 1.00 30.41 O ATOM 721 CB ALA A 48 -26.028 -10.240 -21.227 1.00 73.11 C ATOM 0 H ALA A 48 -24.960 -8.588 -22.706 1.00 73.25 H new ATOM 0 HA ALA A 48 -26.003 -8.389 -20.158 1.00 64.12 H new ATOM 0 HB1 ALA A 48 -26.456 -10.807 -20.400 1.00 73.11 H new ATOM 0 HB2 ALA A 48 -26.826 -9.913 -21.894 1.00 73.11 H new ATOM 0 HB3 ALA A 48 -25.331 -10.872 -21.778 1.00 73.11 H new ATOM 727 N THR A 49 -23.038 -9.787 -20.202 1.00 51.14 N ATOM 728 CA THR A 49 -21.931 -10.219 -19.359 1.00 43.22 C ATOM 729 C THR A 49 -20.646 -9.481 -19.720 1.00 20.11 C ATOM 730 O THR A 49 -19.555 -9.877 -19.309 1.00 63.41 O ATOM 731 CB THR A 49 -21.690 -11.735 -19.480 1.00 2.41 C ATOM 732 OG1 THR A 49 -21.253 -12.058 -20.804 1.00 44.13 O ATOM 733 CG2 THR A 49 -22.958 -12.511 -19.156 1.00 1.21 C ATOM 0 H THR A 49 -22.824 -9.762 -21.199 1.00 51.14 H new ATOM 0 HA THR A 49 -22.206 -9.984 -18.331 1.00 43.22 H new ATOM 0 HB THR A 49 -20.917 -12.016 -18.765 1.00 2.41 H new ATOM 0 HG1 THR A 49 -21.100 -13.024 -20.872 1.00 44.13 H new ATOM 0 HG21 THR A 49 -22.764 -13.580 -19.248 1.00 1.21 H new ATOM 0 HG22 THR A 49 -23.272 -12.286 -18.137 1.00 1.21 H new ATOM 0 HG23 THR A 49 -23.747 -12.224 -19.851 1.00 1.21 H new ATOM 741 N LYS A 50 -20.782 -8.407 -20.488 1.00 43.34 N ATOM 742 CA LYS A 50 -19.631 -7.612 -20.904 1.00 34.34 C ATOM 743 C LYS A 50 -18.553 -8.496 -21.523 1.00 15.35 C ATOM 744 O LYS A 50 -17.383 -8.419 -21.149 1.00 61.42 O ATOM 745 CB LYS A 50 -19.055 -6.848 -19.709 1.00 73.32 C ATOM 746 CG LYS A 50 -19.909 -5.671 -19.271 1.00 51.01 C ATOM 747 CD LYS A 50 -20.954 -6.088 -18.250 1.00 73.55 C ATOM 748 CE LYS A 50 -20.335 -6.319 -16.880 1.00 40.03 C ATOM 749 NZ LYS A 50 -20.124 -5.041 -16.145 1.00 63.54 N1+ ATOM 0 H LYS A 50 -21.678 -8.066 -20.836 1.00 43.34 H new ATOM 0 HA LYS A 50 -19.967 -6.899 -21.657 1.00 34.34 H new ATOM 0 HB2 LYS A 50 -18.940 -7.535 -18.870 1.00 73.32 H new ATOM 0 HB3 LYS A 50 -18.059 -6.488 -19.965 1.00 73.32 H new ATOM 0 HG2 LYS A 50 -19.271 -4.897 -18.844 1.00 51.01 H new ATOM 0 HG3 LYS A 50 -20.402 -5.235 -20.140 1.00 51.01 H new ATOM 0 HD2 LYS A 50 -21.722 -5.317 -18.178 1.00 73.55 H new ATOM 0 HD3 LYS A 50 -21.448 -7.000 -18.585 1.00 73.55 H new ATOM 0 HE2 LYS A 50 -20.982 -6.972 -16.295 1.00 40.03 H new ATOM 0 HE3 LYS A 50 -19.381 -6.834 -16.994 1.00 40.03 H new ATOM 0 HZ1 LYS A 50 -19.701 -5.240 -15.216 1.00 63.54 H new ATOM 0 HZ2 LYS A 50 -19.486 -4.427 -16.692 1.00 63.54 H new ATOM 0 HZ3 LYS A 50 -21.037 -4.561 -16.013 1.00 63.54 H new ATOM 763 N THR A 51 -18.957 -9.335 -22.473 1.00 24.34 N ATOM 764 CA THR A 51 -18.025 -10.233 -23.143 1.00 44.02 C ATOM 765 C THR A 51 -18.287 -10.276 -24.644 1.00 73.53 C ATOM 766 O THR A 51 -19.424 -10.120 -25.090 1.00 14.21 O ATOM 767 CB THR A 51 -18.116 -11.663 -22.576 1.00 41.02 C ATOM 768 OG1 THR A 51 -17.976 -11.634 -21.151 1.00 32.22 O ATOM 769 CG2 THR A 51 -17.040 -12.553 -23.178 1.00 71.14 C ATOM 0 H THR A 51 -19.922 -9.411 -22.795 1.00 24.34 H new ATOM 0 HA THR A 51 -17.024 -9.842 -22.962 1.00 44.02 H new ATOM 0 HB THR A 51 -19.092 -12.073 -22.837 1.00 41.02 H new ATOM 0 HG1 THR A 51 -18.702 -11.103 -20.762 1.00 32.22 H new ATOM 0 HG21 THR A 51 -17.124 -13.557 -22.763 1.00 71.14 H new ATOM 0 HG22 THR A 51 -17.167 -12.596 -24.260 1.00 71.14 H new ATOM 0 HG23 THR A 51 -16.057 -12.145 -22.944 1.00 71.14 H new ATOM 777 N PHE A 52 -17.231 -10.492 -25.420 1.00 5.23 N ATOM 778 CA PHE A 52 -17.347 -10.556 -26.872 1.00 4.32 C ATOM 779 C PHE A 52 -17.506 -11.999 -27.341 1.00 0.13 C ATOM 780 O PHE A 52 -16.601 -12.819 -27.183 1.00 73.45 O ATOM 781 CB PHE A 52 -16.119 -9.926 -27.532 1.00 11.55 C ATOM 782 CG PHE A 52 -15.738 -8.597 -26.944 1.00 52.41 C ATOM 783 CD1 PHE A 52 -14.477 -8.398 -26.408 1.00 44.43 C ATOM 784 CD2 PHE A 52 -16.643 -7.547 -26.926 1.00 61.32 C ATOM 785 CE1 PHE A 52 -14.122 -7.176 -25.867 1.00 54.10 C ATOM 786 CE2 PHE A 52 -16.294 -6.324 -26.387 1.00 14.44 C ATOM 787 CZ PHE A 52 -15.034 -6.137 -25.855 1.00 65.43 C ATOM 0 H PHE A 52 -16.283 -10.626 -25.067 1.00 5.23 H new ATOM 0 HA PHE A 52 -18.235 -9.996 -27.165 1.00 4.32 H new ATOM 0 HB2 PHE A 52 -15.276 -10.610 -27.440 1.00 11.55 H new ATOM 0 HB3 PHE A 52 -16.313 -9.801 -28.597 1.00 11.55 H new ATOM 0 HD1 PHE A 52 -13.762 -9.207 -26.413 1.00 44.43 H new ATOM 0 HD2 PHE A 52 -17.632 -7.687 -27.338 1.00 61.32 H new ATOM 0 HE1 PHE A 52 -13.134 -7.033 -25.455 1.00 54.10 H new ATOM 0 HE2 PHE A 52 -17.008 -5.513 -26.382 1.00 14.44 H new ATOM 0 HZ PHE A 52 -14.761 -5.182 -25.431 1.00 65.43 H new ATOM 797 N THR A 53 -18.665 -12.302 -27.918 1.00 65.24 N ATOM 798 CA THR A 53 -18.945 -13.646 -28.410 1.00 62.11 C ATOM 799 C THR A 53 -18.613 -13.769 -29.893 1.00 71.13 C ATOM 800 O THR A 53 -19.139 -13.024 -30.721 1.00 25.23 O ATOM 801 CB THR A 53 -20.421 -14.027 -28.192 1.00 22.10 C ATOM 802 OG1 THR A 53 -21.227 -12.845 -28.117 1.00 4.10 O ATOM 803 CG2 THR A 53 -20.587 -14.841 -26.917 1.00 73.15 C ATOM 0 H THR A 53 -19.425 -11.635 -28.056 1.00 65.24 H new ATOM 0 HA THR A 53 -18.313 -14.329 -27.842 1.00 62.11 H new ATOM 0 HB THR A 53 -20.745 -14.634 -29.037 1.00 22.10 H new ATOM 0 HG1 THR A 53 -22.162 -13.075 -28.300 1.00 4.10 H new ATOM 0 HG21 THR A 53 -21.638 -15.099 -26.784 1.00 73.15 H new ATOM 0 HG22 THR A 53 -19.996 -15.754 -26.989 1.00 73.15 H new ATOM 0 HG23 THR A 53 -20.246 -14.254 -26.064 1.00 73.15 H new ATOM 811 N VAL A 54 -17.739 -14.715 -30.223 1.00 32.13 N ATOM 812 CA VAL A 54 -17.339 -14.937 -31.607 1.00 13.12 C ATOM 813 C VAL A 54 -18.046 -16.154 -32.194 1.00 43.23 C ATOM 814 O VAL A 54 -17.674 -17.295 -31.918 1.00 33.41 O ATOM 815 CB VAL A 54 -15.817 -15.133 -31.727 1.00 22.02 C ATOM 816 CG1 VAL A 54 -15.397 -15.171 -33.189 1.00 5.33 C ATOM 817 CG2 VAL A 54 -15.078 -14.033 -30.980 1.00 23.13 C ATOM 0 H VAL A 54 -17.295 -15.340 -29.550 1.00 32.13 H new ATOM 0 HA VAL A 54 -17.628 -14.047 -32.167 1.00 13.12 H new ATOM 0 HB VAL A 54 -15.554 -16.089 -31.273 1.00 22.02 H new ATOM 0 HG11 VAL A 54 -14.318 -15.310 -33.254 1.00 5.33 H new ATOM 0 HG12 VAL A 54 -15.900 -15.997 -33.691 1.00 5.33 H new ATOM 0 HG13 VAL A 54 -15.671 -14.233 -33.671 1.00 5.33 H new ATOM 0 HG21 VAL A 54 -14.003 -14.187 -31.075 1.00 23.13 H new ATOM 0 HG22 VAL A 54 -15.344 -13.064 -31.402 1.00 23.13 H new ATOM 0 HG23 VAL A 54 -15.356 -14.058 -29.926 1.00 23.13 H new ATOM 827 N THR A 55 -19.067 -15.903 -33.008 1.00 72.51 N ATOM 828 CA THR A 55 -19.826 -16.979 -33.635 1.00 13.41 C ATOM 829 C THR A 55 -19.435 -17.146 -35.098 1.00 72.34 C ATOM 830 O THR A 55 -19.829 -16.350 -35.950 1.00 31.15 O ATOM 831 CB THR A 55 -21.342 -16.722 -33.545 1.00 42.42 C ATOM 832 OG1 THR A 55 -21.683 -16.249 -32.237 1.00 62.32 O ATOM 833 CG2 THR A 55 -22.125 -17.989 -33.852 1.00 41.24 C ATOM 0 H THR A 55 -19.387 -14.965 -33.248 1.00 72.51 H new ATOM 0 HA THR A 55 -19.588 -17.894 -33.092 1.00 13.41 H new ATOM 0 HB THR A 55 -21.604 -15.964 -34.284 1.00 42.42 H new ATOM 0 HG1 THR A 55 -22.648 -16.087 -32.189 1.00 62.32 H new ATOM 0 HG21 THR A 55 -23.193 -17.783 -33.782 1.00 41.24 H new ATOM 0 HG22 THR A 55 -21.886 -18.329 -34.860 1.00 41.24 H new ATOM 0 HG23 THR A 55 -21.858 -18.765 -33.134 1.00 41.24 H new ATOM 841 N GLU A 56 -18.659 -18.187 -35.385 1.00 35.15 N ATOM 842 CA GLU A 56 -18.217 -18.458 -36.746 1.00 50.02 C ATOM 843 C GLU A 56 -19.338 -19.086 -37.569 1.00 33.31 C ATOM 844 O GLU A 56 -20.425 -19.347 -37.055 1.00 34.50 O ATOM 845 CB GLU A 56 -16.997 -19.383 -36.736 1.00 71.10 C ATOM 846 CG GLU A 56 -17.256 -20.722 -36.068 1.00 33.33 C ATOM 847 CD GLU A 56 -16.096 -21.686 -36.225 1.00 43.00 C ATOM 848 OE1 GLU A 56 -16.327 -22.911 -36.147 1.00 54.40 O ATOM 849 OE2 GLU A 56 -14.957 -21.217 -36.426 1.00 45.43 O1- ATOM 0 H GLU A 56 -18.324 -18.856 -34.692 1.00 35.15 H new ATOM 0 HA GLU A 56 -17.941 -17.509 -37.205 1.00 50.02 H new ATOM 0 HB2 GLU A 56 -16.673 -19.555 -37.762 1.00 71.10 H new ATOM 0 HB3 GLU A 56 -16.176 -18.883 -36.222 1.00 71.10 H new ATOM 0 HG2 GLU A 56 -17.451 -20.563 -35.007 1.00 33.33 H new ATOM 0 HG3 GLU A 56 -18.155 -21.168 -36.494 1.00 33.33 H new