USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.2) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 162:sc= 0.991 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 130:sc= 0.857 USER MOD Single : A 1 MET CE :methyl 153:sc= -0.0393 (180deg=-0.237) USER MOD Single : A 1 MET N :NH3+ 161:sc= 2.32 (180deg=1.9) USER MOD Single : A 2 GLN : amide:sc= -0.743 K(o=-0.74,f=-1.9!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.476 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -140:sc= 1.16 (180deg=0.983) USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.167 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 2.41 (180deg=2.3) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.08) USER MOD Single : A 31 GLN : amide:sc= -0.156 K(o=-0.16,f=-5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.228 K(o=-0.23,f=-3.6!) USER MOD Single : A 41 GLN : amide:sc= 1.34 K(o=1.3,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.00459) USER MOD Single : A 49 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.21) USER MOD Single : A 55 THR OG1 : rot -77:sc= 1.46 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.744 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+ 175:sc= 0 (180deg=-0.0382) USER MOD Single : A 65 SER OG : rot 108:sc= 1.27 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=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.308 -6.620 -4.988 1.00 9.67 N ATOM 2 CA MET A 1 11.407 -7.191 -3.600 1.00 10.38 C ATOM 3 C MET A 1 9.982 -7.385 -3.062 1.00 9.62 C ATOM 4 O MET A 1 9.017 -6.930 -3.664 1.00 9.62 O ATOM 5 CB MET A 1 12.072 -6.104 -2.707 1.00 13.77 C ATOM 6 CG MET A 1 11.338 -4.799 -2.646 1.00 16.29 C ATOM 7 SD MET A 1 12.056 -3.678 -1.491 1.00 17.17 S ATOM 8 CE MET A 1 10.606 -2.603 -1.130 1.00 16.11 C ATOM 0 H1 MET A 1 12.215 -6.185 -5.250 1.00 9.67 H new ATOM 0 H2 MET A 1 11.082 -7.380 -5.661 1.00 9.67 H new ATOM 0 H3 MET A 1 10.558 -5.900 -5.014 1.00 9.67 H new ATOM 0 HA MET A 1 11.964 -8.128 -3.601 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.170 -6.496 -1.695 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.081 -5.919 -3.076 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.332 -4.342 -3.636 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.299 -4.982 -2.373 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.707 -2.179 -0.131 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.558 -1.798 -1.863 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.692 -3.195 -1.182 1.00 16.11 H new ATOM 20 N GLN A 2 9.915 -8.186 -1.971 1.00 9.27 N ATOM 21 CA GLN A 2 8.754 -8.676 -1.360 1.00 9.07 C ATOM 22 C GLN A 2 8.406 -7.731 -0.189 1.00 8.72 C ATOM 23 O GLN A 2 9.266 -7.428 0.647 1.00 8.22 O ATOM 24 CB GLN A 2 9.068 -10.061 -0.758 1.00 14.46 C ATOM 25 CG GLN A 2 7.843 -10.768 -0.093 1.00 17.01 C ATOM 26 CD GLN A 2 8.252 -12.184 0.282 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.503 -13.064 -0.118 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.333 -12.387 1.063 1.00 19.49 N ATOM 0 H GLN A 2 10.759 -8.503 -1.495 1.00 9.27 H new ATOM 0 HA GLN A 2 7.938 -8.741 -2.080 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.461 -10.705 -1.545 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.856 -9.950 -0.013 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.523 -10.219 0.792 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.997 -10.787 -0.780 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.908 -11.596 1.354 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.576 -13.331 1.363 1.00 19.49 H new ATOM 37 N ILE A 3 7.134 -7.524 -0.036 1.00 5.87 N ATOM 38 CA ILE A 3 6.549 -6.862 1.101 1.00 5.07 C ATOM 39 C ILE A 3 5.233 -7.549 1.456 1.00 4.01 C ATOM 40 O ILE A 3 4.652 -8.312 0.645 1.00 4.61 O ATOM 41 CB ILE A 3 6.246 -5.418 0.959 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.487 -5.138 -0.372 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.621 -4.655 0.987 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.868 -3.762 -0.346 1.00 10.83 C ATOM 0 H ILE A 3 6.443 -7.822 -0.725 1.00 5.87 H new ATOM 0 HA ILE A 3 7.322 -6.937 1.866 1.00 5.07 H new ATOM 0 HB ILE A 3 5.600 -5.080 1.769 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.175 -5.218 -1.214 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.712 -5.890 -0.521 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.445 -3.584 0.885 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.127 -4.851 1.932 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.246 -5.000 0.163 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.341 -3.582 -1.283 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.165 -3.695 0.484 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.650 -3.013 -0.220 1.00 10.83 H new ATOM 56 N PHE A 4 4.719 -7.274 2.682 1.00 4.55 N ATOM 57 CA PHE A 4 3.457 -7.805 3.135 1.00 4.68 C ATOM 58 C PHE A 4 2.462 -6.691 3.427 1.00 5.30 C ATOM 59 O PHE A 4 2.793 -5.711 4.122 1.00 5.58 O ATOM 60 CB PHE A 4 3.610 -8.727 4.389 1.00 4.83 C ATOM 61 CG PHE A 4 4.688 -9.680 4.099 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.444 -10.875 3.359 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.977 -9.478 4.602 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.495 -11.740 3.026 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.076 -10.310 4.316 1.00 10.61 C ATOM 66 CZ PHE A 4 6.773 -11.386 3.483 1.00 8.90 C ATOM 0 H PHE A 4 5.185 -6.677 3.365 1.00 4.55 H new ATOM 0 HA PHE A 4 3.074 -8.418 2.319 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.847 -8.136 5.274 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.678 -9.252 4.596 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.437 -11.116 3.052 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.140 -8.630 5.251 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.329 -12.636 2.446 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.066 -10.131 4.707 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.598 -12.004 3.160 1.00 8.90 H new ATOM 76 N VAL A 5 1.203 -6.760 3.004 1.00 4.44 N ATOM 77 CA VAL A 5 0.117 -5.808 3.298 1.00 3.87 C ATOM 78 C VAL A 5 -0.956 -6.462 4.135 1.00 4.93 C ATOM 79 O VAL A 5 -1.462 -7.578 3.850 1.00 6.84 O ATOM 80 CB VAL A 5 -0.586 -5.411 1.994 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.855 -4.519 2.194 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.518 -4.900 1.104 1.00 9.13 C ATOM 0 H VAL A 5 0.886 -7.526 2.410 1.00 4.44 H new ATOM 0 HA VAL A 5 0.565 -4.957 3.812 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.074 -6.248 1.495 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.291 -4.284 1.223 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.585 -5.056 2.799 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.574 -3.595 2.699 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.100 -4.593 0.145 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.002 -4.047 1.579 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.251 -5.690 0.944 1.00 9.13 H new ATOM 92 N LYS A 6 -1.359 -5.764 5.252 1.00 6.04 N ATOM 93 CA LYS A 6 -2.326 -6.340 6.219 1.00 6.12 C ATOM 94 C LYS A 6 -3.615 -5.613 6.133 1.00 6.57 C ATOM 95 O LYS A 6 -3.705 -4.415 6.409 1.00 5.76 O ATOM 96 CB LYS A 6 -1.775 -6.089 7.649 1.00 7.45 C ATOM 97 CG LYS A 6 -0.513 -7.000 8.043 1.00 11.12 C ATOM 98 CD LYS A 6 -0.886 -8.418 8.427 1.00 14.54 C ATOM 99 CE LYS A 6 0.287 -9.272 8.897 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.015 -10.661 8.987 1.00 20.55 N ATOM 0 H LYS A 6 -1.031 -4.827 5.489 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.465 -7.399 6.004 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.492 -5.040 7.737 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.574 -6.265 8.369 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.180 -7.030 7.202 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.016 -6.534 8.875 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.634 -8.382 9.219 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.352 -8.903 7.570 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.123 -9.135 8.211 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.615 -8.917 9.874 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.869 -11.208 9.009 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.557 -10.843 9.856 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.579 -10.948 8.161 1.00 20.55 H new ATOM 114 N THR A 7 -4.718 -6.322 5.862 1.00 7.41 N ATOM 115 CA THR A 7 -6.054 -5.715 5.756 1.00 7.48 C ATOM 116 C THR A 7 -6.663 -5.590 7.160 1.00 8.75 C ATOM 117 O THR A 7 -6.199 -6.269 8.100 1.00 8.58 O ATOM 118 CB THR A 7 -7.127 -6.418 4.937 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.288 -7.810 5.333 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.633 -6.515 3.521 1.00 9.17 C ATOM 0 H THR A 7 -4.711 -7.331 5.710 1.00 7.41 H new ATOM 0 HA THR A 7 -5.827 -4.787 5.231 1.00 7.48 H new ATOM 0 HB THR A 7 -8.053 -5.858 5.070 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.986 -8.227 4.786 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.382 -7.016 2.908 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.453 -5.514 3.129 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.705 -7.086 3.498 1.00 9.17 H new ATOM 128 N LEU A 8 -7.699 -4.716 7.385 1.00 9.84 N ATOM 129 CA LEU A 8 -8.406 -4.518 8.655 1.00 14.15 C ATOM 130 C LEU A 8 -8.990 -5.792 9.204 1.00 17.37 C ATOM 131 O LEU A 8 -8.876 -6.074 10.390 1.00 17.01 O ATOM 132 CB LEU A 8 -9.529 -3.434 8.372 1.00 16.63 C ATOM 133 CG LEU A 8 -10.505 -3.112 9.533 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.718 -2.303 10.619 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.767 -2.363 9.021 1.00 18.59 C ATOM 0 H LEU A 8 -8.062 -4.117 6.644 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.711 -4.181 9.424 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.038 -2.507 8.075 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.117 -3.771 7.518 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.878 -4.033 9.981 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.384 -2.064 11.448 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.884 -2.901 10.985 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.338 -1.380 10.181 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.430 -2.152 9.860 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.468 -1.426 8.550 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.289 -2.984 8.293 1.00 18.59 H new ATOM 147 N THR A 9 -9.488 -6.591 8.284 1.00 18.33 N ATOM 148 CA THR A 9 -10.166 -7.866 8.554 1.00 19.24 C ATOM 149 C THR A 9 -9.295 -9.105 8.469 1.00 19.48 C ATOM 150 O THR A 9 -9.748 -10.226 8.478 1.00 23.14 O ATOM 151 CB THR A 9 -11.373 -7.966 7.631 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.148 -7.785 6.278 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.420 -6.903 8.081 1.00 19.70 C ATOM 0 H THR A 9 -9.436 -6.374 7.289 1.00 18.33 H new ATOM 0 HA THR A 9 -10.467 -7.848 9.601 1.00 19.24 H new ATOM 0 HB THR A 9 -11.706 -8.999 7.729 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.994 -7.874 5.791 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.295 -6.957 7.433 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.719 -7.100 9.111 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.980 -5.908 8.015 1.00 19.70 H new ATOM 161 N GLY A 10 -7.940 -8.823 8.568 1.00 19.43 N ATOM 162 CA GLY A 10 -6.968 -9.870 8.932 1.00 18.74 C ATOM 163 C GLY A 10 -6.669 -10.867 7.816 1.00 17.62 C ATOM 164 O GLY A 10 -6.484 -12.040 8.087 1.00 19.74 O ATOM 0 H GLY A 10 -7.532 -7.903 8.402 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.036 -9.394 9.237 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.346 -10.414 9.798 1.00 18.74 H new ATOM 168 N LYS A 11 -6.598 -10.469 6.559 1.00 13.56 N ATOM 169 CA LYS A 11 -6.039 -11.248 5.505 1.00 11.91 C ATOM 170 C LYS A 11 -4.692 -10.562 5.202 1.00 10.18 C ATOM 171 O LYS A 11 -4.537 -9.340 5.420 1.00 9.10 O ATOM 172 CB LYS A 11 -6.941 -11.213 4.266 1.00 13.43 C ATOM 173 CG LYS A 11 -6.481 -12.046 3.083 1.00 16.69 C ATOM 174 CD LYS A 11 -7.412 -11.969 1.843 1.00 17.92 C ATOM 175 CE LYS A 11 -7.004 -12.831 0.653 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.038 -12.816 -0.447 1.00 21.93 N ATOM 0 H LYS A 11 -6.944 -9.561 6.248 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.928 -12.297 5.779 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.936 -11.549 4.556 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.037 -10.177 3.940 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.482 -11.722 2.792 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.400 -13.087 3.397 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.418 -12.257 2.149 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.464 -10.931 1.515 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.052 -12.475 0.259 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.847 -13.857 0.987 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.133 -13.771 -0.847 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.953 -12.510 -0.059 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.741 -12.156 -1.194 1.00 21.93 H new ATOM 190 N THR A 12 -3.725 -11.242 4.638 1.00 9.63 N ATOM 191 CA THR A 12 -2.386 -10.667 4.420 1.00 9.85 C ATOM 192 C THR A 12 -2.016 -10.923 2.974 1.00 11.66 C ATOM 193 O THR A 12 -2.102 -12.072 2.530 1.00 12.33 O ATOM 194 CB THR A 12 -1.306 -11.320 5.289 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.608 -11.268 6.662 1.00 10.91 O ATOM 196 CG2 THR A 12 0.020 -10.572 5.223 1.00 9.63 C ATOM 0 H THR A 12 -3.824 -12.204 4.313 1.00 9.63 H new ATOM 0 HA THR A 12 -2.429 -9.609 4.677 1.00 9.85 H new ATOM 0 HB THR A 12 -1.253 -12.337 4.899 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.508 -12.161 7.053 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.753 -11.074 5.855 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.379 -10.557 4.194 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.121 -9.549 5.573 1.00 9.63 H new ATOM 204 N ILE A 13 -1.715 -9.876 2.237 1.00 10.42 N ATOM 205 CA ILE A 13 -1.368 -10.017 0.868 1.00 11.84 C ATOM 206 C ILE A 13 0.163 -9.876 0.844 1.00 10.55 C ATOM 207 O ILE A 13 0.799 -8.996 1.506 1.00 11.92 O ATOM 208 CB ILE A 13 -2.083 -8.930 0.101 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.598 -8.972 0.051 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.575 -9.026 -1.327 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.333 -8.103 1.087 1.00 16.46 C ATOM 0 H ILE A 13 -1.708 -8.916 2.581 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.657 -10.963 0.410 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.865 -8.004 0.633 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.917 -8.663 -0.944 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.917 -10.006 0.182 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.057 -8.262 -1.937 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.496 -8.874 -1.340 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.807 -10.012 -1.730 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.410 -8.213 0.956 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.055 -8.422 2.092 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.055 -7.058 0.948 1.00 16.46 H new ATOM 223 N THR A 14 0.816 -10.778 0.095 1.00 9.39 N ATOM 224 CA THR A 14 2.219 -10.590 -0.217 1.00 9.63 C ATOM 225 C THR A 14 2.316 -9.975 -1.577 1.00 11.20 C ATOM 226 O THR A 14 1.657 -10.505 -2.501 1.00 11.63 O ATOM 227 CB THR A 14 3.000 -11.909 -0.315 1.00 10.38 C ATOM 228 OG1 THR A 14 2.854 -12.747 0.846 1.00 16.30 O ATOM 229 CG2 THR A 14 4.518 -11.601 -0.521 1.00 11.66 C ATOM 0 H THR A 14 0.396 -11.623 -0.293 1.00 9.39 H new ATOM 0 HA THR A 14 2.636 -9.980 0.584 1.00 9.63 H new ATOM 0 HB THR A 14 2.585 -12.453 -1.163 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.445 -12.425 1.558 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.073 -12.537 -0.591 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.652 -11.030 -1.440 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.889 -11.021 0.324 1.00 11.66 H new ATOM 237 N LEU A 15 3.155 -8.979 -1.772 1.00 8.29 N ATOM 238 CA LEU A 15 3.276 -8.299 -3.004 1.00 9.03 C ATOM 239 C LEU A 15 4.743 -8.186 -3.418 1.00 8.59 C ATOM 240 O LEU A 15 5.659 -8.051 -2.677 1.00 7.79 O ATOM 241 CB LEU A 15 2.810 -6.836 -2.965 1.00 11.08 C ATOM 242 CG LEU A 15 1.321 -6.535 -2.592 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.086 -5.036 -2.628 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.345 -7.224 -3.513 1.00 15.27 C ATOM 0 H LEU A 15 3.779 -8.626 -1.047 1.00 8.29 H new ATOM 0 HA LEU A 15 2.659 -8.888 -3.682 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.443 -6.306 -2.254 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.000 -6.402 -3.947 1.00 11.08 H new ATOM 0 HG LEU A 15 1.148 -6.924 -1.589 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.049 -4.824 -2.368 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.747 -4.547 -1.912 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.294 -4.659 -3.629 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.674 -6.982 -3.210 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.510 -6.886 -4.536 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.493 -8.303 -3.459 1.00 15.27 H new ATOM 256 N GLU A 16 4.913 -8.186 -4.745 1.00 11.04 N ATOM 257 CA GLU A 16 6.164 -7.913 -5.426 1.00 11.50 C ATOM 258 C GLU A 16 6.236 -6.426 -5.876 1.00 10.13 C ATOM 259 O GLU A 16 5.387 -5.909 -6.594 1.00 9.83 O ATOM 260 CB GLU A 16 6.411 -8.875 -6.593 1.00 17.22 C ATOM 261 CG GLU A 16 7.908 -8.868 -7.028 1.00 23.33 C ATOM 262 CD GLU A 16 8.913 -9.393 -6.042 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.740 -10.514 -5.493 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.006 -8.745 -5.837 1.00 28.90 O ATOM 0 H GLU A 16 4.148 -8.385 -5.390 1.00 11.04 H new ATOM 0 HA GLU A 16 6.969 -8.085 -4.712 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.120 -9.884 -6.303 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.783 -8.593 -7.438 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.996 -9.453 -7.944 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.183 -7.843 -7.277 1.00 23.33 H new ATOM 271 N VAL A 17 7.280 -5.679 -5.458 1.00 8.99 N ATOM 272 CA VAL A 17 7.328 -4.251 -5.735 1.00 8.85 C ATOM 273 C VAL A 17 8.724 -3.877 -6.021 1.00 8.04 C ATOM 274 O VAL A 17 9.657 -4.415 -5.401 1.00 8.99 O ATOM 275 CB VAL A 17 6.903 -3.330 -4.535 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.402 -3.527 -4.233 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.684 -3.679 -3.239 1.00 10.54 C ATOM 0 H VAL A 17 8.079 -6.043 -4.939 1.00 8.99 H new ATOM 0 HA VAL A 17 6.630 -4.098 -6.558 1.00 8.85 H new ATOM 0 HB VAL A 17 7.121 -2.303 -4.827 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.111 -2.887 -3.400 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.816 -3.265 -5.114 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.217 -4.569 -3.971 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.362 -3.021 -2.432 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.487 -4.715 -2.963 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.752 -3.547 -3.411 1.00 10.54 H new ATOM 287 N GLU A 18 8.821 -2.929 -6.915 1.00 7.29 N ATOM 288 CA GLU A 18 10.061 -2.199 -6.945 1.00 7.08 C ATOM 289 C GLU A 18 10.047 -1.036 -5.972 1.00 6.45 C ATOM 290 O GLU A 18 8.980 -0.437 -5.807 1.00 5.28 O ATOM 291 CB GLU A 18 10.303 -1.567 -8.349 1.00 10.28 C ATOM 292 CG GLU A 18 10.353 -2.635 -9.515 1.00 12.65 C ATOM 293 CD GLU A 18 10.007 -1.935 -10.762 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.647 -0.950 -11.193 1.00 18.17 O ATOM 295 OE2 GLU A 18 9.143 -2.492 -11.496 1.00 14.33 O ATOM 0 H GLU A 18 8.108 -2.655 -7.592 1.00 7.29 H new ATOM 0 HA GLU A 18 10.837 -2.920 -6.687 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.511 -0.848 -8.558 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.241 -1.012 -8.333 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.345 -3.080 -9.586 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.652 -3.447 -9.323 1.00 12.65 H new ATOM 302 N PRO A 19 11.119 -0.524 -5.431 1.00 7.24 N ATOM 303 CA PRO A 19 11.002 0.641 -4.525 1.00 7.07 C ATOM 304 C PRO A 19 10.566 1.932 -5.173 1.00 6.65 C ATOM 305 O PRO A 19 10.041 2.846 -4.556 1.00 6.37 O ATOM 306 CB PRO A 19 12.459 0.797 -4.072 1.00 7.61 C ATOM 307 CG PRO A 19 12.899 -0.663 -3.911 1.00 8.16 C ATOM 308 CD PRO A 19 12.297 -1.317 -5.108 1.00 7.49 C ATOM 0 HA PRO A 19 10.244 0.467 -3.761 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.062 1.326 -4.810 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.539 1.353 -3.138 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.985 -0.760 -3.899 1.00 8.16 H new ATOM 0 HG3 PRO A 19 12.529 -1.098 -2.982 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.000 -1.334 -5.941 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.028 -2.352 -4.897 1.00 7.49 H new ATOM 316 N SER A 20 10.809 2.052 -6.491 1.00 6.80 N ATOM 317 CA SER A 20 10.565 3.237 -7.260 1.00 6.28 C ATOM 318 C SER A 20 9.218 3.183 -7.864 1.00 8.45 C ATOM 319 O SER A 20 8.777 4.010 -8.661 1.00 7.26 O ATOM 320 CB SER A 20 11.435 3.475 -8.481 1.00 8.57 C ATOM 321 OG SER A 20 12.830 3.479 -8.170 1.00 11.13 O ATOM 0 H SER A 20 11.193 1.288 -7.047 1.00 6.80 H new ATOM 0 HA SER A 20 10.750 4.013 -6.517 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.234 2.701 -9.222 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.165 4.429 -8.935 1.00 8.57 H new ATOM 0 HG SER A 20 13.347 3.634 -8.988 1.00 11.13 H new ATOM 327 N ASP A 21 8.429 2.107 -7.501 1.00 7.50 N ATOM 328 CA ASP A 21 7.000 2.161 -7.751 1.00 7.70 C ATOM 329 C ASP A 21 6.282 3.194 -6.860 1.00 7.08 C ATOM 330 O ASP A 21 6.516 3.343 -5.645 1.00 8.11 O ATOM 331 CB ASP A 21 6.312 0.759 -7.532 1.00 11.00 C ATOM 332 CG ASP A 21 6.734 -0.272 -8.531 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.152 0.096 -9.677 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.581 -1.489 -8.235 1.00 14.36 O ATOM 0 H ASP A 21 8.767 1.252 -7.060 1.00 7.50 H new ATOM 0 HA ASP A 21 6.903 2.462 -8.794 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.546 0.400 -6.530 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.230 0.882 -7.582 1.00 11.00 H new ATOM 339 N THR A 22 5.452 4.053 -7.449 1.00 5.37 N ATOM 340 CA THR A 22 4.636 4.974 -6.647 1.00 6.01 C ATOM 341 C THR A 22 3.609 4.277 -5.782 1.00 8.01 C ATOM 342 O THR A 22 3.337 3.104 -6.103 1.00 8.11 O ATOM 343 CB THR A 22 3.945 6.121 -7.323 1.00 8.92 C ATOM 344 OG1 THR A 22 3.154 5.703 -8.461 1.00 10.22 O ATOM 345 CG2 THR A 22 5.044 7.090 -7.866 1.00 9.65 C ATOM 0 H THR A 22 5.325 4.134 -8.458 1.00 5.37 H new ATOM 0 HA THR A 22 5.440 5.419 -6.062 1.00 6.01 H new ATOM 0 HB THR A 22 3.284 6.585 -6.591 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.724 6.485 -8.865 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.570 7.936 -8.364 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.652 7.452 -7.037 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.678 6.560 -8.577 1.00 9.65 H new ATOM 353 N ILE A 23 3.173 4.747 -4.604 1.00 8.32 N ATOM 354 CA ILE A 23 2.162 4.088 -3.760 1.00 9.92 C ATOM 355 C ILE A 23 0.830 3.746 -4.478 1.00 10.01 C ATOM 356 O ILE A 23 0.203 2.714 -4.298 1.00 8.71 O ATOM 357 CB ILE A 23 1.808 4.828 -2.542 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.052 5.234 -1.821 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.908 4.064 -1.558 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.078 4.147 -1.475 1.00 12.30 C ATOM 0 H ILE A 23 3.521 5.617 -4.201 1.00 8.32 H new ATOM 0 HA ILE A 23 2.683 3.167 -3.500 1.00 9.92 H new ATOM 0 HB ILE A 23 1.233 5.687 -2.888 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.557 5.987 -2.426 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.755 5.719 -0.891 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.702 4.692 -0.691 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.030 3.804 -2.049 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.413 3.154 -1.235 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.923 4.597 -0.955 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.613 3.399 -0.833 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.427 3.672 -2.391 1.00 12.30 H new ATOM 372 N GLU A 24 0.417 4.567 -5.440 1.00 9.54 N ATOM 373 CA GLU A 24 -0.636 4.277 -6.373 1.00 11.81 C ATOM 374 C GLU A 24 -0.497 3.021 -7.224 1.00 11.14 C ATOM 375 O GLU A 24 -1.432 2.292 -7.462 1.00 10.62 O ATOM 376 CB GLU A 24 -0.691 5.494 -7.376 1.00 19.24 C ATOM 377 CG GLU A 24 -1.904 5.517 -8.276 1.00 27.76 C ATOM 378 CD GLU A 24 -1.954 6.793 -9.107 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.850 7.238 -9.578 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.040 7.343 -9.342 1.00 34.80 O ATOM 0 H GLU A 24 0.832 5.487 -5.586 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.523 4.110 -5.761 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.663 6.421 -6.803 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.205 5.476 -7.997 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.885 4.651 -8.937 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.808 5.438 -7.673 1.00 27.76 H new ATOM 387 N ASN A 25 0.715 2.626 -7.679 1.00 9.43 N ATOM 388 CA ASN A 25 0.993 1.371 -8.345 1.00 10.96 C ATOM 389 C ASN A 25 1.011 0.209 -7.310 1.00 9.68 C ATOM 390 O ASN A 25 0.604 -0.904 -7.671 1.00 9.33 O ATOM 391 CB ASN A 25 2.445 1.485 -9.044 1.00 16.78 C ATOM 392 CG ASN A 25 2.202 2.132 -10.363 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.480 1.560 -11.191 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.784 3.370 -10.615 1.00 24.70 N ATOM 0 H ASN A 25 1.546 3.209 -7.579 1.00 9.43 H new ATOM 0 HA ASN A 25 0.222 1.166 -9.088 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.128 2.078 -8.436 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.900 0.502 -9.167 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.622 3.838 -11.507 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.373 3.810 -9.908 1.00 24.70 H new ATOM 401 N VAL A 26 1.398 0.491 -6.034 1.00 6.52 N ATOM 402 CA VAL A 26 1.227 -0.435 -4.927 1.00 5.53 C ATOM 403 C VAL A 26 -0.311 -0.680 -4.796 1.00 4.42 C ATOM 404 O VAL A 26 -0.778 -1.824 -4.621 1.00 3.40 O ATOM 405 CB VAL A 26 1.984 -0.037 -3.645 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.064 -1.225 -2.676 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.446 0.321 -3.926 1.00 8.12 C ATOM 0 H VAL A 26 1.835 1.373 -5.766 1.00 6.52 H new ATOM 0 HA VAL A 26 1.712 -1.390 -5.126 1.00 5.53 H new ATOM 0 HB VAL A 26 1.436 0.812 -3.236 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.602 -0.925 -1.777 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.057 -1.544 -2.407 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.590 -2.051 -3.155 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.939 0.595 -2.993 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.953 -0.538 -4.366 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.488 1.161 -4.619 1.00 8.12 H new ATOM 417 N LYS A 27 -1.171 0.350 -4.894 1.00 2.64 N ATOM 418 CA LYS A 27 -2.605 0.206 -4.788 1.00 4.14 C ATOM 419 C LYS A 27 -3.181 -0.648 -6.013 1.00 5.58 C ATOM 420 O LYS A 27 -4.051 -1.519 -5.924 1.00 4.11 O ATOM 421 CB LYS A 27 -3.317 1.580 -4.578 1.00 3.97 C ATOM 422 CG LYS A 27 -2.918 2.304 -3.330 1.00 7.45 C ATOM 423 CD LYS A 27 -3.520 3.698 -3.092 1.00 9.02 C ATOM 424 CE LYS A 27 -2.854 4.381 -1.865 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.695 5.532 -1.444 1.00 15.47 N ATOM 0 H LYS A 27 -0.869 1.312 -5.051 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.831 -0.364 -3.887 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.106 2.218 -5.436 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.395 1.417 -4.559 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.180 1.675 -2.479 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.832 2.403 -3.332 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.381 4.316 -3.979 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.594 3.613 -2.929 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.751 3.669 -1.046 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.850 4.720 -2.120 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.218 6.049 -0.678 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.841 6.169 -2.253 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.615 5.184 -1.106 1.00 15.47 H new ATOM 439 N ALA A 28 -2.630 -0.473 -7.239 1.00 6.61 N ATOM 440 CA ALA A 28 -2.971 -1.308 -8.410 1.00 7.74 C ATOM 441 C ALA A 28 -2.618 -2.790 -8.299 1.00 9.17 C ATOM 442 O ALA A 28 -3.286 -3.692 -8.785 1.00 11.45 O ATOM 443 CB ALA A 28 -2.262 -0.846 -9.690 1.00 7.68 C ATOM 0 H ALA A 28 -1.939 0.250 -7.440 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.054 -1.186 -8.446 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.548 -1.494 -10.519 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.551 0.181 -9.916 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.183 -0.896 -9.546 1.00 7.68 H new ATOM 449 N LYS A 29 -1.497 -3.139 -7.637 1.00 8.96 N ATOM 450 CA LYS A 29 -1.178 -4.451 -7.281 1.00 7.90 C ATOM 451 C LYS A 29 -2.211 -5.069 -6.302 1.00 6.92 C ATOM 452 O LYS A 29 -2.677 -6.195 -6.575 1.00 6.87 O ATOM 453 CB LYS A 29 0.243 -4.564 -6.700 1.00 10.28 C ATOM 454 CG LYS A 29 1.350 -4.119 -7.626 1.00 14.94 C ATOM 455 CD LYS A 29 2.691 -3.791 -7.004 1.00 19.69 C ATOM 456 CE LYS A 29 3.744 -3.457 -8.039 1.00 22.63 C ATOM 457 NZ LYS A 29 4.258 -4.678 -8.657 1.00 24.98 N ATOM 0 H LYS A 29 -0.794 -2.460 -7.346 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.214 -5.026 -8.206 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.294 -3.971 -5.787 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.422 -5.601 -6.417 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.505 -4.904 -8.366 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.004 -3.237 -8.165 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.575 -2.948 -6.323 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.028 -4.639 -6.408 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.318 -2.807 -8.803 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.561 -2.907 -7.571 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.139 -4.465 -9.167 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.448 -5.387 -7.920 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.554 -5.052 -9.324 1.00 24.98 H new ATOM 471 N ILE A 30 -2.734 -4.377 -5.204 1.00 4.57 N ATOM 472 CA ILE A 30 -3.934 -4.770 -4.532 1.00 5.58 C ATOM 473 C ILE A 30 -5.212 -4.797 -5.334 1.00 7.26 C ATOM 474 O ILE A 30 -6.130 -5.534 -5.044 1.00 9.46 O ATOM 475 CB ILE A 30 -4.101 -3.825 -3.370 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.909 -3.800 -2.390 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.355 -4.107 -2.524 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.855 -4.995 -1.484 1.00 2.00 C ATOM 0 H ILE A 30 -2.296 -3.546 -4.808 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.793 -5.816 -4.260 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.184 -2.861 -3.872 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.981 -3.743 -2.960 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.966 -2.896 -1.783 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.411 -3.389 -1.706 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.244 -4.015 -3.149 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.300 -5.117 -2.117 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.993 -4.911 -0.822 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.767 -5.041 -0.888 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.766 -5.902 -2.083 1.00 2.00 H new ATOM 490 N GLN A 31 -5.389 -3.948 -6.329 1.00 7.06 N ATOM 491 CA GLN A 31 -6.502 -4.126 -7.269 1.00 8.67 C ATOM 492 C GLN A 31 -6.586 -5.387 -8.090 1.00 10.90 C ATOM 493 O GLN A 31 -7.616 -6.059 -8.170 1.00 9.63 O ATOM 494 CB GLN A 31 -6.536 -2.858 -8.166 1.00 9.12 C ATOM 495 CG GLN A 31 -7.933 -2.825 -8.983 1.00 10.76 C ATOM 496 CD GLN A 31 -7.745 -1.756 -10.044 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.569 -1.422 -10.252 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.841 -1.285 -10.699 1.00 14.76 N ATOM 0 H GLN A 31 -4.794 -3.140 -6.513 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.385 -4.257 -6.644 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.437 -1.962 -7.554 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.695 -2.865 -8.859 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.149 -3.794 -9.433 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.769 -2.585 -8.326 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.769 -1.626 -10.450 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.734 -0.591 -11.438 1.00 14.76 H new ATOM 507 N ASP A 32 -5.518 -5.821 -8.674 1.00 10.93 N ATOM 508 CA ASP A 32 -5.371 -7.076 -9.356 1.00 14.01 C ATOM 509 C ASP A 32 -5.514 -8.227 -8.320 1.00 14.04 C ATOM 510 O ASP A 32 -6.215 -9.184 -8.635 1.00 13.39 O ATOM 511 CB ASP A 32 -4.100 -7.081 -10.240 1.00 18.01 C ATOM 512 CG ASP A 32 -3.962 -8.360 -11.036 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.596 -8.400 -12.120 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.294 -9.281 -10.536 1.00 26.29 O ATOM 0 H ASP A 32 -4.659 -5.271 -8.691 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.168 -7.242 -10.081 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.131 -6.232 -10.923 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.220 -6.951 -9.609 1.00 18.01 H new ATOM 519 N LYS A 33 -4.862 -8.124 -7.118 1.00 14.22 N ATOM 520 CA LYS A 33 -5.068 -9.184 -6.164 1.00 14.00 C ATOM 521 C LYS A 33 -6.463 -9.259 -5.573 1.00 12.37 C ATOM 522 O LYS A 33 -7.068 -10.306 -5.437 1.00 12.17 O ATOM 523 CB LYS A 33 -4.044 -9.097 -4.948 1.00 18.62 C ATOM 524 CG LYS A 33 -2.560 -9.283 -5.216 1.00 24.00 C ATOM 525 CD LYS A 33 -2.313 -10.805 -5.419 1.00 27.61 C ATOM 526 CE LYS A 33 -0.908 -11.239 -5.546 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.723 -12.750 -5.810 1.00 30.06 N ATOM 0 H LYS A 33 -4.242 -7.367 -6.831 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.906 -10.082 -6.760 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.173 -8.122 -4.479 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.342 -9.846 -4.214 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.256 -8.723 -6.101 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.969 -8.906 -4.382 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.758 -11.337 -4.578 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.848 -11.120 -6.315 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.441 -10.682 -6.358 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.376 -10.975 -4.632 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.291 -12.968 -5.885 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.136 -13.293 -5.025 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.199 -13.008 -6.698 1.00 30.06 H new ATOM 541 N GLU A 34 -7.010 -8.093 -5.100 1.00 10.11 N ATOM 542 CA GLU A 34 -8.252 -8.139 -4.271 1.00 10.07 C ATOM 543 C GLU A 34 -9.393 -7.357 -4.918 1.00 9.32 C ATOM 544 O GLU A 34 -10.556 -7.389 -4.511 1.00 11.61 O ATOM 545 CB GLU A 34 -8.061 -7.439 -2.903 1.00 14.77 C ATOM 546 CG GLU A 34 -7.184 -8.291 -1.916 1.00 18.75 C ATOM 547 CD GLU A 34 -7.948 -9.583 -1.606 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.042 -9.421 -0.983 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.573 -10.706 -1.938 1.00 25.19 O ATOM 0 H GLU A 34 -6.632 -7.161 -5.268 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.474 -9.201 -4.169 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.592 -6.467 -3.057 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.036 -7.254 -2.452 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.216 -8.518 -2.363 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.989 -7.733 -1.000 1.00 18.75 H new ATOM 556 N GLY A 35 -9.169 -6.618 -6.061 1.00 7.22 N ATOM 557 CA GLY A 35 -10.220 -5.907 -6.822 1.00 6.29 C ATOM 558 C GLY A 35 -10.635 -4.558 -6.230 1.00 6.93 C ATOM 559 O GLY A 35 -11.487 -3.816 -6.730 1.00 7.41 O ATOM 0 H GLY A 35 -8.240 -6.510 -6.468 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.867 -5.748 -7.841 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.100 -6.547 -6.885 1.00 6.29 H new ATOM 563 N ILE A 36 -9.939 -4.113 -5.145 1.00 5.86 N ATOM 564 CA ILE A 36 -10.211 -2.887 -4.467 1.00 6.07 C ATOM 565 C ILE A 36 -9.698 -1.723 -5.351 1.00 6.36 C ATOM 566 O ILE A 36 -8.488 -1.689 -5.621 1.00 6.18 O ATOM 567 CB ILE A 36 -9.570 -2.824 -3.117 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.911 -4.070 -2.376 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.098 -1.575 -2.363 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.190 -4.047 -1.021 1.00 9.49 C ATOM 0 H ILE A 36 -9.163 -4.635 -4.737 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.286 -2.813 -4.305 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.487 -2.744 -3.205 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.989 -4.140 -2.230 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.609 -4.946 -2.950 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.635 -1.522 -1.378 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.850 -0.677 -2.929 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.180 -1.647 -2.252 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.430 -4.954 -0.466 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.113 -3.995 -1.183 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.514 -3.176 -0.451 1.00 9.49 H new ATOM 582 N PRO A 37 -10.456 -0.796 -5.782 1.00 8.65 N ATOM 583 CA PRO A 37 -9.934 0.379 -6.613 1.00 9.18 C ATOM 584 C PRO A 37 -8.844 1.252 -5.944 1.00 9.85 C ATOM 585 O PRO A 37 -8.958 1.510 -4.769 1.00 8.51 O ATOM 586 CB PRO A 37 -11.193 1.188 -6.855 1.00 11.42 C ATOM 587 CG PRO A 37 -12.324 0.163 -6.771 1.00 9.27 C ATOM 588 CD PRO A 37 -11.893 -0.766 -5.678 1.00 8.33 C ATOM 0 HA PRO A 37 -9.422 0.018 -7.505 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.311 1.973 -6.108 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.171 1.676 -7.829 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.277 0.638 -6.538 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.454 -0.365 -7.715 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.214 -0.406 -4.700 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.322 -1.760 -5.808 1.00 8.33 H new ATOM 596 N PRO A 38 -7.768 1.736 -6.548 1.00 8.71 N ATOM 597 CA PRO A 38 -6.771 2.697 -5.920 1.00 9.08 C ATOM 598 C PRO A 38 -7.279 3.832 -5.171 1.00 9.28 C ATOM 599 O PRO A 38 -6.609 4.317 -4.273 1.00 6.50 O ATOM 600 CB PRO A 38 -5.877 3.047 -7.110 1.00 10.31 C ATOM 601 CG PRO A 38 -5.938 1.801 -8.000 1.00 10.81 C ATOM 602 CD PRO A 38 -7.289 1.163 -7.825 1.00 12.00 C ATOM 0 HA PRO A 38 -6.250 2.229 -5.085 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.240 3.931 -7.635 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.856 3.261 -6.793 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.778 2.071 -9.044 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.149 1.100 -7.727 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.958 1.404 -8.651 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.219 0.076 -7.778 1.00 12.00 H new ATOM 610 N ASP A 39 -8.502 4.347 -5.463 1.00 11.20 N ATOM 611 CA ASP A 39 -9.034 5.585 -4.931 1.00 14.96 C ATOM 612 C ASP A 39 -9.929 5.262 -3.743 1.00 13.99 C ATOM 613 O ASP A 39 -10.493 6.130 -3.090 1.00 13.75 O ATOM 614 CB ASP A 39 -9.933 6.158 -6.079 1.00 24.16 C ATOM 615 CG ASP A 39 -10.135 7.645 -5.763 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.150 8.386 -5.671 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.290 8.075 -5.556 1.00 34.22 O ATOM 0 H ASP A 39 -9.150 3.880 -6.098 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.251 6.275 -4.616 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.455 6.028 -7.050 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.889 5.636 -6.122 1.00 24.16 H new ATOM 622 N GLN A 40 -10.077 3.971 -3.466 1.00 11.60 N ATOM 623 CA GLN A 40 -10.689 3.528 -2.274 1.00 10.76 C ATOM 624 C GLN A 40 -9.633 3.120 -1.207 1.00 8.01 C ATOM 625 O GLN A 40 -9.917 2.997 -0.034 1.00 8.96 O ATOM 626 CB GLN A 40 -11.610 2.277 -2.708 1.00 11.14 C ATOM 627 CG GLN A 40 -12.520 1.844 -1.593 1.00 14.85 C ATOM 628 CD GLN A 40 -13.385 0.610 -1.917 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.329 -0.422 -1.222 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.135 0.767 -3.004 1.00 18.16 N ATOM 0 H GLN A 40 -9.766 3.220 -4.082 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.279 4.317 -1.808 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.206 2.549 -3.579 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.974 1.442 -3.004 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.916 1.628 -0.712 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.177 2.674 -1.334 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.117 1.651 -3.512 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.728 0.003 -3.329 1.00 18.16 H new ATOM 639 N GLN A 41 -8.378 2.923 -1.615 1.00 6.52 N ATOM 640 CA GLN A 41 -7.369 2.442 -0.730 1.00 3.87 C ATOM 641 C GLN A 41 -6.598 3.544 -0.062 1.00 4.79 C ATOM 642 O GLN A 41 -6.243 4.581 -0.613 1.00 6.34 O ATOM 643 CB GLN A 41 -6.347 1.560 -1.550 1.00 4.20 C ATOM 644 CG GLN A 41 -6.987 0.293 -2.161 1.00 3.20 C ATOM 645 CD GLN A 41 -5.994 -0.403 -3.013 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.835 -0.516 -2.542 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.330 -0.935 -4.199 1.00 7.13 N ATOM 0 H GLN A 41 -8.055 3.097 -2.567 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.875 1.869 0.047 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.917 2.163 -2.350 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.526 1.265 -0.896 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.331 -0.372 -1.368 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.862 0.564 -2.752 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.279 -0.827 -4.556 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.636 -1.447 -4.743 1.00 7.13 H new ATOM 656 N ARG A 42 -6.134 3.358 1.175 1.00 5.73 N ATOM 657 CA ARG A 42 -5.193 4.171 1.858 1.00 6.97 C ATOM 658 C ARG A 42 -4.122 3.258 2.479 1.00 7.15 C ATOM 659 O ARG A 42 -4.405 2.246 3.123 1.00 7.33 O ATOM 660 CB ARG A 42 -5.864 5.095 2.884 1.00 13.23 C ATOM 661 CG ARG A 42 -6.503 6.317 2.216 1.00 21.27 C ATOM 662 CD ARG A 42 -7.035 7.246 3.249 1.00 26.14 C ATOM 663 NE ARG A 42 -7.408 8.536 2.614 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.087 9.514 3.226 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.632 9.265 4.354 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.076 10.768 2.717 1.00 36.39 N ATOM 0 H ARG A 42 -6.444 2.571 1.745 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.710 4.846 1.152 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.626 4.539 3.430 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.125 5.425 3.614 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.766 6.831 1.599 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.308 5.999 1.553 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.904 6.804 3.737 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.286 7.413 4.023 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.127 8.687 1.645 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.545 8.337 4.769 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.155 9.994 4.840 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.550 10.969 1.866 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.594 11.513 3.184 1.00 36.39 H new ATOM 680 N LEU A 43 -2.838 3.531 2.266 1.00 4.65 N ATOM 681 CA LEU A 43 -1.716 2.669 2.738 1.00 3.51 C ATOM 682 C LEU A 43 -0.936 3.417 3.855 1.00 5.56 C ATOM 683 O LEU A 43 -0.620 4.580 3.731 1.00 4.19 O ATOM 684 CB LEU A 43 -0.767 2.123 1.533 1.00 3.74 C ATOM 685 CG LEU A 43 0.025 0.849 1.753 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.955 -0.253 2.290 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.778 0.385 0.441 1.00 6.41 C ATOM 0 H LEU A 43 -2.526 4.359 1.759 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.135 1.757 3.164 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.398 1.973 0.657 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.059 2.914 1.285 1.00 3.74 H new ATOM 0 HG LEU A 43 0.807 1.030 2.490 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.405 -1.180 2.455 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.397 0.079 3.229 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.745 -0.425 1.559 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.332 -0.531 0.644 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.051 0.201 -0.350 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.470 1.165 0.124 1.00 6.41 H new ATOM 699 N ILE A 44 -0.686 2.652 4.955 1.00 4.58 N ATOM 700 CA ILE A 44 -0.042 3.177 6.153 1.00 5.55 C ATOM 701 C ILE A 44 1.224 2.324 6.541 1.00 5.46 C ATOM 702 O ILE A 44 1.173 1.120 6.382 1.00 6.04 O ATOM 703 CB ILE A 44 -1.083 3.076 7.307 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.515 3.601 6.999 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.587 3.667 8.699 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.771 5.065 6.670 1.00 13.90 C ATOM 0 H ILE A 44 -0.930 1.664 5.018 1.00 4.58 H new ATOM 0 HA ILE A 44 0.283 4.202 5.977 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.167 1.993 7.397 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.893 3.017 6.160 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.134 3.357 7.862 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.375 3.554 9.444 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.302 3.128 9.027 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.348 4.724 8.581 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.835 5.217 6.489 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.453 5.687 7.507 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.208 5.341 5.778 1.00 13.90 H new ATOM 718 N PHE A 45 2.338 2.949 6.949 1.00 6.75 N ATOM 719 CA PHE A 45 3.540 2.352 7.490 1.00 4.70 C ATOM 720 C PHE A 45 3.769 2.981 8.844 1.00 6.34 C ATOM 721 O PHE A 45 4.198 4.160 8.979 1.00 5.45 O ATOM 722 CB PHE A 45 4.890 2.520 6.639 1.00 5.51 C ATOM 723 CG PHE A 45 5.937 1.674 7.190 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.850 0.260 6.971 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.031 2.155 7.921 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.900 -0.612 7.319 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.002 1.285 8.415 1.00 6.64 C ATOM 728 CZ PHE A 45 7.907 -0.088 8.167 1.00 6.84 C ATOM 0 H PHE A 45 2.415 3.965 6.900 1.00 6.75 H new ATOM 0 HA PHE A 45 3.353 1.278 7.499 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.708 2.255 5.598 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.210 3.562 6.651 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.954 -0.148 6.527 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.124 3.215 8.105 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.936 -1.629 6.958 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.830 1.672 8.991 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.614 -0.761 8.630 1.00 6.84 H new ATOM 738 N ALA A 46 3.593 2.190 9.889 1.00 6.53 N ATOM 739 CA ALA A 46 3.895 2.550 11.214 1.00 7.15 C ATOM 740 C ALA A 46 3.287 3.755 11.788 1.00 9.00 C ATOM 741 O ALA A 46 3.919 4.716 12.213 1.00 11.15 O ATOM 742 CB ALA A 46 5.463 2.437 11.413 1.00 8.99 C ATOM 0 H ALA A 46 3.219 1.245 9.806 1.00 6.53 H new ATOM 0 HA ALA A 46 3.368 1.827 11.837 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.721 2.712 12.436 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.781 1.412 11.222 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.967 3.109 10.718 1.00 8.99 H new ATOM 748 N GLY A 47 1.918 3.877 11.648 1.00 9.35 N ATOM 749 CA GLY A 47 1.259 5.183 12.028 1.00 11.68 C ATOM 750 C GLY A 47 1.282 6.317 11.031 1.00 11.14 C ATOM 751 O GLY A 47 0.609 7.314 11.191 1.00 13.93 O ATOM 0 H GLY A 47 1.292 3.149 11.303 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.217 4.972 12.266 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.730 5.538 12.945 1.00 11.68 H new ATOM 755 N LYS A 48 2.042 6.149 9.916 1.00 10.47 N ATOM 756 CA LYS A 48 2.327 7.169 8.979 1.00 8.82 C ATOM 757 C LYS A 48 1.708 6.797 7.609 1.00 7.68 C ATOM 758 O LYS A 48 1.984 5.775 7.021 1.00 6.47 O ATOM 759 CB LYS A 48 3.834 7.497 8.976 1.00 9.74 C ATOM 760 CG LYS A 48 4.254 8.462 7.854 1.00 14.14 C ATOM 761 CD LYS A 48 5.751 8.683 7.852 1.00 16.32 C ATOM 762 CE LYS A 48 6.212 9.653 6.751 1.00 20.04 C ATOM 763 NZ LYS A 48 5.905 10.984 7.122 1.00 23.92 N ATOM 0 H LYS A 48 2.468 5.255 9.674 1.00 10.47 H new ATOM 0 HA LYS A 48 1.855 8.110 9.260 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.104 7.933 9.938 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.399 6.570 8.876 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.942 8.060 6.890 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.743 9.416 7.982 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.057 9.072 8.823 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.254 7.725 7.719 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.285 9.550 6.589 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.722 9.407 5.809 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.471 11.478 6.316 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.240 10.977 7.922 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.777 11.477 7.401 1.00 23.92 H new ATOM 777 N GLN A 49 0.881 7.729 7.066 1.00 8.89 N ATOM 778 CA GLN A 49 0.348 7.681 5.726 1.00 7.18 C ATOM 779 C GLN A 49 1.301 7.717 4.569 1.00 8.23 C ATOM 780 O GLN A 49 2.244 8.485 4.538 1.00 9.70 O ATOM 781 CB GLN A 49 -0.731 8.805 5.478 1.00 11.67 C ATOM 782 CG GLN A 49 -1.967 8.829 6.457 1.00 15.82 C ATOM 783 CD GLN A 49 -1.687 9.794 7.577 1.00 20.21 C ATOM 784 OE1 GLN A 49 -1.531 10.986 7.348 1.00 23.23 O ATOM 785 NE2 GLN A 49 -1.763 9.275 8.808 1.00 20.67 N ATOM 0 H GLN A 49 0.572 8.551 7.585 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.072 6.675 5.726 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.233 9.773 5.535 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.105 8.698 4.460 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.867 9.127 5.919 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.150 7.832 6.857 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.894 8.271 8.931 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -1.690 9.883 9.623 1.00 20.67 H new ATOM 794 N LEU A 50 1.072 6.829 3.567 1.00 6.51 N ATOM 795 CA LEU A 50 1.885 6.805 2.345 1.00 7.41 C ATOM 796 C LEU A 50 1.055 7.316 1.175 1.00 8.27 C ATOM 797 O LEU A 50 -0.003 6.785 0.821 1.00 8.34 O ATOM 798 CB LEU A 50 2.372 5.346 2.038 1.00 7.13 C ATOM 799 CG LEU A 50 2.883 4.600 3.297 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.446 3.213 2.934 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.992 5.444 4.037 1.00 9.11 C ATOM 0 H LEU A 50 0.332 6.127 3.591 1.00 6.51 H new ATOM 0 HA LEU A 50 2.756 7.444 2.490 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.552 4.781 1.596 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.170 5.384 1.296 1.00 7.13 H new ATOM 0 HG LEU A 50 2.032 4.467 3.964 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.796 2.715 3.838 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.664 2.613 2.469 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.277 3.328 2.238 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.336 4.901 4.917 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.832 5.611 3.363 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.575 6.404 4.343 1.00 9.11 H new ATOM 813 N GLU A 51 1.545 8.361 0.551 1.00 9.43 N ATOM 814 CA GLU A 51 0.771 9.066 -0.418 1.00 11.90 C ATOM 815 C GLU A 51 1.044 8.686 -1.887 1.00 11.49 C ATOM 816 O GLU A 51 2.126 8.352 -2.260 1.00 9.88 O ATOM 817 CB GLU A 51 1.044 10.583 -0.261 1.00 16.56 C ATOM 818 CG GLU A 51 0.595 11.142 1.090 1.00 26.06 C ATOM 819 CD GLU A 51 0.772 12.711 1.167 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.013 13.471 0.552 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.669 13.206 1.876 1.00 32.13 O ATOM 0 H GLU A 51 2.481 8.736 0.705 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.265 8.790 -0.219 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.111 10.768 -0.386 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.531 11.122 -1.058 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.451 10.886 1.259 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.171 10.672 1.887 1.00 26.06 H new ATOM 828 N ASP A 52 -0.011 8.830 -2.689 1.00 12.71 N ATOM 829 CA ASP A 52 -0.248 8.248 -4.021 1.00 16.56 C ATOM 830 C ASP A 52 0.765 8.631 -5.055 1.00 15.83 C ATOM 831 O ASP A 52 1.227 7.727 -5.790 1.00 17.21 O ATOM 832 CB ASP A 52 -1.691 8.576 -4.463 1.00 21.05 C ATOM 833 CG ASP A 52 -2.660 8.245 -3.386 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.815 8.990 -2.456 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.329 7.190 -3.475 1.00 28.37 O ATOM 0 H ASP A 52 -0.798 9.411 -2.400 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.127 7.169 -3.931 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.768 9.634 -4.715 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.937 8.015 -5.365 1.00 21.05 H new ATOM 840 N GLY A 53 1.171 9.933 -5.047 1.00 15.00 N ATOM 841 CA GLY A 53 2.259 10.381 -5.903 1.00 11.77 C ATOM 842 C GLY A 53 3.668 10.185 -5.443 1.00 11.10 C ATOM 843 O GLY A 53 4.627 10.567 -6.156 1.00 11.25 O ATOM 0 H GLY A 53 0.759 10.661 -4.464 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.152 9.876 -6.863 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.117 11.446 -6.086 1.00 11.77 H new ATOM 847 N ARG A 54 3.869 9.599 -4.250 1.00 8.53 N ATOM 848 CA ARG A 54 5.173 9.325 -3.657 1.00 9.05 C ATOM 849 C ARG A 54 5.470 7.850 -3.851 1.00 8.96 C ATOM 850 O ARG A 54 4.601 7.030 -4.292 1.00 11.60 O ATOM 851 CB ARG A 54 5.219 9.703 -2.186 1.00 7.97 C ATOM 852 CG ARG A 54 5.060 11.210 -1.876 1.00 9.62 C ATOM 853 CD ARG A 54 6.306 12.148 -2.117 1.00 12.20 C ATOM 854 NE ARG A 54 5.710 13.539 -1.903 1.00 18.23 N ATOM 855 CZ ARG A 54 6.150 14.642 -2.459 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.413 14.684 -2.930 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.366 15.704 -2.475 1.00 23.38 N ATOM 0 H ARG A 54 3.096 9.296 -3.658 1.00 8.53 H new ATOM 0 HA ARG A 54 5.932 9.933 -4.149 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.431 9.159 -1.665 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.169 9.364 -1.772 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.234 11.590 -2.477 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.765 11.307 -0.831 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.114 11.939 -1.416 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.716 12.031 -3.120 1.00 12.20 H new ATOM 0 HE ARG A 54 4.907 13.615 -1.279 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.014 13.864 -2.852 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.767 15.536 -3.365 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.436 15.657 -2.059 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.691 16.571 -2.903 1.00 23.38 H new ATOM 871 N THR A 55 6.741 7.413 -3.516 1.00 9.05 N ATOM 872 CA THR A 55 7.270 6.068 -3.755 1.00 9.03 C ATOM 873 C THR A 55 7.519 5.358 -2.464 1.00 8.15 C ATOM 874 O THR A 55 7.771 6.029 -1.448 1.00 5.91 O ATOM 875 CB THR A 55 8.615 6.071 -4.517 1.00 11.15 C ATOM 876 OG1 THR A 55 9.539 6.848 -3.766 1.00 11.95 O ATOM 877 CG2 THR A 55 8.465 6.699 -5.941 1.00 11.71 C ATOM 0 H THR A 55 7.419 8.025 -3.062 1.00 9.05 H new ATOM 0 HA THR A 55 6.510 5.568 -4.356 1.00 9.03 H new ATOM 0 HB THR A 55 8.958 5.043 -4.637 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.347 7.800 -3.896 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.430 6.685 -6.448 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.743 6.122 -6.519 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.118 7.728 -5.850 1.00 11.71 H new ATOM 885 N LEU A 56 7.547 4.005 -2.420 1.00 6.91 N ATOM 886 CA LEU A 56 8.163 3.202 -1.364 1.00 8.29 C ATOM 887 C LEU A 56 9.630 3.609 -0.956 1.00 8.05 C ATOM 888 O LEU A 56 10.055 3.598 0.129 1.00 10.17 O ATOM 889 CB LEU A 56 8.168 1.709 -1.806 1.00 6.60 C ATOM 890 CG LEU A 56 6.810 0.984 -1.823 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.838 -0.334 -2.581 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.446 0.800 -0.340 1.00 8.64 C ATOM 0 H LEU A 56 7.123 3.432 -3.150 1.00 6.91 H new ATOM 0 HA LEU A 56 7.555 3.382 -0.478 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.595 1.653 -2.807 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.837 1.161 -1.143 1.00 6.60 H new ATOM 0 HG LEU A 56 6.061 1.565 -2.361 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.849 -0.791 -2.553 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.124 -0.152 -3.617 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.561 -1.005 -2.117 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.487 0.288 -0.262 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.216 0.206 0.152 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.377 1.775 0.142 1.00 8.64 H new ATOM 904 N SER A 57 10.469 4.006 -1.952 1.00 8.92 N ATOM 905 CA SER A 57 11.796 4.586 -1.690 1.00 9.00 C ATOM 906 C SER A 57 11.820 5.912 -0.910 1.00 9.44 C ATOM 907 O SER A 57 12.657 6.093 -0.032 1.00 10.91 O ATOM 908 CB SER A 57 12.557 4.779 -3.016 1.00 10.32 C ATOM 909 OG SER A 57 13.918 4.995 -2.847 1.00 13.59 O ATOM 0 H SER A 57 10.239 3.930 -2.943 1.00 8.92 H new ATOM 0 HA SER A 57 12.278 3.858 -1.037 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.412 3.898 -3.641 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.127 5.624 -3.553 1.00 10.32 H new ATOM 0 HG SER A 57 14.343 5.108 -3.723 1.00 13.59 H new ATOM 915 N ASP A 58 10.929 6.825 -1.110 1.00 9.11 N ATOM 916 CA ASP A 58 10.881 8.131 -0.451 1.00 7.91 C ATOM 917 C ASP A 58 10.660 8.035 1.111 1.00 9.12 C ATOM 918 O ASP A 58 11.099 8.867 1.949 1.00 8.61 O ATOM 919 CB ASP A 58 9.645 8.972 -0.835 1.00 8.41 C ATOM 920 CG ASP A 58 9.744 9.563 -2.203 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.589 10.512 -2.376 1.00 10.05 O ATOM 922 OD2 ASP A 58 8.915 9.229 -3.092 1.00 11.70 O ATOM 0 H ASP A 58 10.163 6.693 -1.770 1.00 9.11 H new ATOM 0 HA ASP A 58 11.836 8.560 -0.755 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.755 8.346 -0.779 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.517 9.773 -0.107 1.00 8.41 H new ATOM 927 N TYR A 59 9.892 6.958 1.445 1.00 7.97 N ATOM 928 CA TYR A 59 9.520 6.629 2.791 1.00 8.45 C ATOM 929 C TYR A 59 10.495 5.560 3.271 1.00 10.98 C ATOM 930 O TYR A 59 10.352 5.041 4.372 1.00 12.95 O ATOM 931 CB TYR A 59 8.103 5.941 2.854 1.00 7.94 C ATOM 932 CG TYR A 59 7.042 6.860 2.439 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.734 7.998 3.229 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.303 6.649 1.293 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.738 8.864 2.764 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.271 7.465 0.870 1.00 6.52 C ATOM 937 CZ TYR A 59 5.036 8.686 1.608 1.00 6.76 C ATOM 938 OH TYR A 59 4.125 9.605 1.067 1.00 7.63 O ATOM 0 H TYR A 59 9.525 6.305 0.753 1.00 7.97 H new ATOM 0 HA TYR A 59 9.520 7.546 3.380 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.096 5.061 2.211 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.910 5.595 3.870 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.251 8.189 4.158 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.547 5.789 0.687 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.509 9.734 3.362 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.662 7.200 0.019 1.00 6.52 H new ATOM 0 HH TYR A 59 4.392 10.515 1.315 1.00 7.63 H new ATOM 948 N ASN A 60 11.571 5.223 2.490 1.00 12.38 N ATOM 949 CA ASN A 60 12.573 4.199 2.701 1.00 13.94 C ATOM 950 C ASN A 60 11.990 2.906 3.129 1.00 14.16 C ATOM 951 O ASN A 60 12.456 2.343 4.114 1.00 14.26 O ATOM 952 CB ASN A 60 13.739 4.634 3.599 1.00 19.23 C ATOM 953 CG ASN A 60 14.420 5.894 3.082 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.323 5.892 2.252 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.966 7.057 3.602 1.00 24.09 N ATOM 0 H ASN A 60 11.748 5.728 1.621 1.00 12.38 H new ATOM 0 HA ASN A 60 13.013 4.040 1.717 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.372 4.810 4.610 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.469 3.827 3.661 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.375 7.943 3.304 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.215 7.048 4.292 1.00 24.09 H new ATOM 962 N ILE A 61 11.013 2.387 2.434 1.00 11.08 N ATOM 963 CA ILE A 61 10.413 1.132 2.827 1.00 11.78 C ATOM 964 C ILE A 61 11.276 -0.080 2.333 1.00 13.74 C ATOM 965 O ILE A 61 11.559 -0.128 1.155 1.00 14.60 O ATOM 966 CB ILE A 61 8.995 1.131 2.407 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.207 2.164 3.297 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.391 -0.281 2.613 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.751 2.421 3.008 1.00 11.42 C ATOM 0 H ILE A 61 10.614 2.809 1.595 1.00 11.08 H new ATOM 0 HA ILE A 61 10.405 1.015 3.911 1.00 11.78 H new ATOM 0 HB ILE A 61 8.921 1.404 1.354 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.282 1.830 4.332 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.728 3.119 3.231 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.346 -0.279 2.303 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.945 -1.005 2.015 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.456 -0.554 3.666 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.365 3.157 3.713 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.643 2.800 1.992 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.190 1.492 3.110 1.00 11.42 H new ATOM 981 N GLN A 62 11.678 -0.994 3.258 1.00 13.97 N ATOM 982 CA GLN A 62 12.590 -2.103 3.091 1.00 15.52 C ATOM 983 C GLN A 62 11.854 -3.426 2.854 1.00 13.94 C ATOM 984 O GLN A 62 10.687 -3.519 3.204 1.00 12.15 O ATOM 985 CB GLN A 62 13.476 -2.195 4.350 1.00 19.53 C ATOM 986 CG GLN A 62 14.605 -3.261 4.377 1.00 26.38 C ATOM 987 CD GLN A 62 15.550 -3.028 5.565 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.446 -3.679 6.617 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.489 -2.056 5.436 1.00 32.71 N ATOM 0 H GLN A 62 11.327 -0.948 4.215 1.00 13.97 H new ATOM 0 HA GLN A 62 13.201 -1.926 2.206 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.936 -1.219 4.505 1.00 19.53 H new ATOM 0 HB3 GLN A 62 12.824 -2.379 5.203 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.168 -4.257 4.444 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.169 -3.223 3.445 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.562 -1.530 4.565 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.121 -1.852 6.210 1.00 32.71 H new ATOM 998 N LYS A 63 12.424 -4.351 2.087 1.00 11.73 N ATOM 999 CA LYS A 63 12.071 -5.752 1.869 1.00 11.97 C ATOM 1000 C LYS A 63 11.659 -6.525 3.138 1.00 10.41 C ATOM 1001 O LYS A 63 12.164 -6.403 4.227 1.00 9.59 O ATOM 1002 CB LYS A 63 13.121 -6.445 1.031 1.00 13.73 C ATOM 1003 CG LYS A 63 14.401 -6.862 1.720 1.00 16.98 C ATOM 1004 CD LYS A 63 15.429 -7.521 0.711 1.00 20.19 C ATOM 1005 CE LYS A 63 16.771 -7.794 1.396 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.663 -8.690 2.538 1.00 25.97 N ATOM 0 H LYS A 63 13.246 -4.106 1.535 1.00 11.73 H new ATOM 0 HA LYS A 63 11.146 -5.751 1.292 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.669 -7.335 0.594 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.383 -5.783 0.206 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.860 -5.992 2.189 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.170 -7.569 2.517 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.018 -8.453 0.324 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.580 -6.861 -0.143 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.461 -8.224 0.670 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.202 -6.848 1.724 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.613 -8.901 2.905 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.097 -8.236 3.283 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.201 -9.574 2.243 1.00 25.97 H new ATOM 1020 N GLU A 64 10.562 -7.191 2.944 1.00 10.04 N ATOM 1021 CA GLU A 64 9.849 -7.989 3.957 1.00 10.94 C ATOM 1022 C GLU A 64 9.256 -7.193 5.090 1.00 9.74 C ATOM 1023 O GLU A 64 8.869 -7.774 6.128 1.00 9.42 O ATOM 1024 CB GLU A 64 10.725 -9.187 4.416 1.00 18.31 C ATOM 1025 CG GLU A 64 10.933 -10.192 3.259 1.00 24.16 C ATOM 1026 CD GLU A 64 11.604 -11.496 3.732 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.223 -11.976 4.792 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.531 -11.947 3.044 1.00 32.61 O ATOM 0 H GLU A 64 10.097 -7.209 2.036 1.00 10.04 H new ATOM 0 HA GLU A 64 8.963 -8.394 3.469 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.691 -8.824 4.766 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.249 -9.689 5.258 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.970 -10.425 2.805 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.546 -9.730 2.485 1.00 24.16 H new ATOM 1035 N SER A 65 9.066 -5.884 4.887 1.00 6.85 N ATOM 1036 CA SER A 65 8.181 -5.066 5.662 1.00 6.90 C ATOM 1037 C SER A 65 6.719 -5.359 5.652 1.00 4.72 C ATOM 1038 O SER A 65 6.106 -5.878 4.722 1.00 3.91 O ATOM 1039 CB SER A 65 8.293 -3.580 5.253 1.00 7.28 C ATOM 1040 OG SER A 65 9.641 -3.149 5.537 1.00 10.56 O ATOM 0 H SER A 65 9.548 -5.367 4.151 1.00 6.85 H new ATOM 0 HA SER A 65 8.539 -5.305 6.663 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.067 -3.456 4.194 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.573 -2.976 5.805 1.00 7.28 H new ATOM 0 HG SER A 65 10.131 -3.032 4.696 1.00 10.56 H new ATOM 1046 N THR A 66 5.982 -4.949 6.713 1.00 4.48 N ATOM 1047 CA THR A 66 4.506 -5.025 6.819 1.00 3.80 C ATOM 1048 C THR A 66 3.936 -3.728 6.688 1.00 4.60 C ATOM 1049 O THR A 66 4.248 -2.852 7.404 1.00 5.33 O ATOM 1050 CB THR A 66 4.004 -5.674 8.186 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.226 -7.071 8.142 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.526 -5.509 8.444 1.00 3.40 C ATOM 0 H THR A 66 6.413 -4.544 7.544 1.00 4.48 H new ATOM 0 HA THR A 66 4.178 -5.675 6.008 1.00 3.80 H new ATOM 0 HB THR A 66 4.559 -5.159 8.970 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.921 -7.477 8.980 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.268 -5.978 9.393 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.280 -4.448 8.485 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.961 -5.981 7.640 1.00 3.40 H new ATOM 1060 N LEU A 67 2.933 -3.522 5.806 1.00 4.17 N ATOM 1061 CA LEU A 67 2.271 -2.251 5.612 1.00 3.85 C ATOM 1062 C LEU A 67 0.805 -2.409 5.991 1.00 3.80 C ATOM 1063 O LEU A 67 0.293 -3.518 5.729 1.00 5.54 O ATOM 1064 CB LEU A 67 2.360 -1.712 4.125 1.00 7.18 C ATOM 1065 CG LEU A 67 3.797 -1.166 3.770 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.901 -2.233 3.626 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.780 -0.373 2.417 1.00 11.66 C ATOM 0 H LEU A 67 2.567 -4.261 5.206 1.00 4.17 H new ATOM 0 HA LEU A 67 2.780 -1.522 6.242 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.098 -2.513 3.434 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.627 -0.917 3.985 1.00 7.18 H new ATOM 0 HG LEU A 67 4.039 -0.540 4.629 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.846 -1.748 3.382 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.005 -2.778 4.564 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.634 -2.928 2.830 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.783 -0.008 2.197 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.449 -1.031 1.614 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.096 0.472 2.499 1.00 11.66 H new ATOM 1079 N HIS A 68 0.142 -1.397 6.595 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.299 -1.506 7.004 1.00 4.17 C ATOM 1081 C HIS A 68 -2.108 -0.924 5.862 1.00 5.32 C ATOM 1082 O HIS A 68 -1.892 0.263 5.550 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.602 -0.865 8.387 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.361 -1.846 9.447 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.140 -1.806 10.052 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.072 -2.821 9.913 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.181 -2.876 10.912 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.310 -3.506 10.842 1.00 16.30 N ATOM 0 H HIS A 68 0.568 -0.497 6.814 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.576 -2.548 7.167 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.972 0.011 8.539 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.637 -0.524 8.422 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.086 -3.059 9.626 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.630 -3.158 11.567 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.582 -4.338 11.365 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.101 -1.665 5.364 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.072 -1.094 4.370 1.00 3.97 C ATOM 1098 C LEU A 69 -5.455 -0.864 5.037 1.00 5.07 C ATOM 1099 O LEU A 69 -6.116 -1.791 5.561 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.237 -2.184 3.318 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.278 -2.059 2.154 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.147 -0.673 1.433 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.205 -3.163 1.119 1.00 9.96 C ATOM 0 H LEU A 69 -3.269 -2.640 5.612 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.718 -0.144 3.968 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.261 -2.324 2.854 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.471 -3.105 3.852 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.249 -2.151 2.642 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.880 -0.610 0.629 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.325 0.128 2.150 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.144 -0.572 1.018 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.962 -2.994 0.353 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.217 -3.166 0.659 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.384 -4.125 1.600 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.967 0.360 5.072 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.324 0.820 5.412 1.00 6.26 C ATOM 1117 C VAL A 70 -7.934 1.383 4.177 1.00 9.22 C ATOM 1118 O VAL A 70 -7.262 1.508 3.166 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.394 1.909 6.426 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.620 1.499 7.695 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.738 3.269 5.947 1.00 8.54 C ATOM 0 H VAL A 70 -5.375 1.156 4.835 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.831 -0.051 5.827 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.459 2.062 6.603 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.677 2.301 8.431 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.059 0.593 8.112 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.577 1.313 7.441 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.827 4.014 6.737 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.685 3.105 5.720 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.250 3.625 5.053 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.255 1.675 4.181 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.983 2.176 3.034 1.00 16.06 C ATOM 1133 C LEU A 71 -10.612 3.522 3.343 1.00 18.09 C ATOM 1134 O LEU A 71 -11.154 3.714 4.409 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.067 1.138 2.604 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.559 -0.272 2.129 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.629 -1.309 1.702 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.492 -0.123 0.969 1.00 19.57 C ATOM 0 H LEU A 71 -9.840 1.560 5.008 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.287 2.318 2.207 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.744 0.988 3.445 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.654 1.576 1.796 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.122 -0.686 3.038 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.139 -2.234 1.399 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.296 -1.510 2.540 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.206 -0.913 0.866 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.154 -1.111 0.656 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.945 0.391 0.121 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.640 0.454 1.330 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.561 4.485 2.404 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.854 5.890 2.428 1.00 25.83 C ATOM 1152 C ARG A 72 -12.250 6.173 2.979 1.00 27.74 C ATOM 1153 O ARG A 72 -13.209 5.414 2.763 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.658 6.574 1.068 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.794 8.118 1.156 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.309 8.820 -0.126 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.361 10.311 0.136 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.897 11.330 -0.621 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.364 11.186 -1.823 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.235 12.538 -0.133 1.00 35.02 N ATOM 0 H ARG A 72 -10.260 4.224 1.465 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.123 6.327 3.108 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.673 6.321 0.676 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.392 6.187 0.361 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.836 8.379 1.339 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.220 8.483 2.007 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.295 8.508 -0.376 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.942 8.555 -0.973 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.811 10.585 1.009 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.282 10.257 -2.237 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.035 12.004 -2.336 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.785 12.606 0.723 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.941 13.385 -0.619 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.385 7.207 3.888 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.723 7.626 4.396 1.00 30.76 C ATOM 1176 C LEU A 73 -13.985 9.099 4.058 1.00 32.18 C ATOM 1177 O LEU A 73 -13.024 9.837 3.739 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.861 7.344 5.974 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.824 5.783 6.326 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -13.636 5.674 7.849 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.028 5.001 5.786 1.00 29.11 C ATOM 0 H LEU A 73 -11.603 7.742 4.265 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.485 7.027 3.897 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.053 7.851 6.502 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.796 7.772 6.335 1.00 30.53 H new ATOM 0 HG LEU A 73 -12.989 5.302 5.817 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -13.605 4.623 8.137 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -12.702 6.157 8.136 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.468 6.164 8.354 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.934 3.951 6.063 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.946 5.408 6.210 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.061 5.088 4.700 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.221 9.609 4.062 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.626 10.911 3.418 1.00 35.33 C ATOM 1195 C ARG A 74 -15.245 12.077 4.320 1.00 36.22 C ATOM 1196 O ARG A 74 -15.482 13.222 3.985 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.185 10.745 3.283 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.591 9.966 2.038 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.276 10.623 0.653 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.135 10.028 -0.458 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.014 10.286 -1.783 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.359 11.404 -2.151 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.340 9.440 -2.730 1.00 41.93 N ATOM 0 H ARG A 74 -16.001 9.135 4.517 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.143 11.119 2.463 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.569 10.235 4.166 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.650 11.731 3.257 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.099 8.994 2.071 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.664 9.782 2.089 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.449 11.698 0.712 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.222 10.482 0.414 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.868 9.376 -0.178 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.972 12.026 -1.441 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.250 11.629 -3.140 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.711 8.521 -2.488 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.223 9.701 -3.709 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.918 11.722 5.525 1.00 36.31 N ATOM 1218 CA GLY A 75 -14.728 12.681 6.624 1.00 36.07 C ATOM 1219 C GLY A 75 -13.303 13.142 6.791 1.00 36.16 C ATOM 1220 O GLY A 75 -12.996 13.707 7.843 1.00 36.26 O ATOM 0 H GLY A 75 -14.769 10.751 5.799 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.363 13.550 6.449 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.063 12.223 7.555 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.432 12.970 5.789 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.017 13.201 5.834 1.00 36.19 C ATOM 1226 C GLY A 76 -10.223 12.096 5.204 1.00 36.20 C ATOM 1227 O GLY A 76 -9.435 12.402 4.267 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.348 10.932 5.629 1.00 0.00 O ATOM 0 H GLY A 76 -12.737 12.643 4.872 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -10.791 14.139 5.326 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -10.706 13.318 6.872 1.00 36.19 H new TER 1232 GLY A 76