USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 134:sc= -0.0235 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.407 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0829 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 169:sc= 1.2 (180deg=0.242) USER MOD Set 3.2: A 12 THR OG1 : rot -129:sc= 0.935 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.47 (180deg=2.34) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0.825) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0477 X(o=-0.048,f=-0.5) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 0.00529 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= 1.23 (180deg=0.584) USER MOD Single : A 31 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.599 K(o=-0.6,f=-1.9) USER MOD Single : A 41 GLN : amide:sc= 1.78 K(o=1.8,f=-4.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.537 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00581 X(o=-0.0058,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -158:sc= 0.0275 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=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.544 -7.182 -5.097 1.00 9.67 N ATOM 2 CA MET A 1 11.756 -7.240 -3.643 1.00 10.38 C ATOM 3 C MET A 1 10.416 -7.551 -2.990 1.00 9.62 C ATOM 4 O MET A 1 9.411 -6.910 -3.396 1.00 9.62 O ATOM 5 CB MET A 1 12.049 -5.756 -3.139 1.00 13.77 C ATOM 6 CG MET A 1 12.358 -5.612 -1.633 1.00 16.29 C ATOM 7 SD MET A 1 12.694 -3.969 -0.959 1.00 17.17 S ATOM 8 CE MET A 1 10.995 -3.430 -0.549 1.00 16.11 C ATOM 0 H1 MET A 1 12.464 -7.140 -5.581 1.00 9.67 H new ATOM 0 H2 MET A 1 11.028 -8.030 -5.407 1.00 9.67 H new ATOM 0 H3 MET A 1 10.990 -6.334 -5.333 1.00 9.67 H new ATOM 0 HA MET A 1 12.544 -7.958 -3.414 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.892 -5.359 -3.704 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.186 -5.134 -3.376 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.513 -6.027 -1.083 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.221 -6.240 -1.413 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.025 -2.428 -0.120 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.388 -3.419 -1.454 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.558 -4.121 0.172 1.00 16.11 H new ATOM 20 N GLN A 2 10.406 -8.453 -1.985 1.00 9.27 N ATOM 21 CA GLN A 2 9.174 -8.923 -1.288 1.00 9.07 C ATOM 22 C GLN A 2 8.650 -7.995 -0.265 1.00 8.72 C ATOM 23 O GLN A 2 9.421 -7.572 0.555 1.00 8.22 O ATOM 24 CB GLN A 2 9.480 -10.277 -0.570 1.00 14.46 C ATOM 25 CG GLN A 2 8.289 -11.010 0.046 1.00 17.01 C ATOM 26 CD GLN A 2 8.706 -12.460 0.201 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.673 -12.793 0.958 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.007 -13.431 -0.489 1.00 19.49 N ATOM 0 H GLN A 2 11.258 -8.884 -1.626 1.00 9.27 H new ATOM 0 HA GLN A 2 8.416 -9.010 -2.066 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.955 -10.944 -1.289 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.208 -10.087 0.219 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.025 -10.578 1.011 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.410 -10.926 -0.593 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.231 -13.166 -1.096 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.266 -14.413 -0.391 1.00 19.49 H new ATOM 37 N ILE A 3 7.316 -7.661 -0.318 1.00 5.87 N ATOM 38 CA ILE A 3 6.606 -6.891 0.743 1.00 5.07 C ATOM 39 C ILE A 3 5.309 -7.576 1.117 1.00 4.01 C ATOM 40 O ILE A 3 4.866 -8.447 0.413 1.00 4.61 O ATOM 41 CB ILE A 3 6.398 -5.358 0.378 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.291 -5.033 -0.726 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.762 -4.731 0.132 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.637 -3.649 -0.570 1.00 10.83 C ATOM 0 H ILE A 3 6.713 -7.921 -1.099 1.00 5.87 H new ATOM 0 HA ILE A 3 7.253 -6.885 1.621 1.00 5.07 H new ATOM 0 HB ILE A 3 5.936 -4.876 1.240 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.748 -5.098 -1.714 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.515 -5.797 -0.683 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.638 -3.678 -0.120 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.371 -4.820 1.032 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.256 -5.246 -0.692 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.897 -3.505 -1.358 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.149 -3.585 0.402 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.401 -2.875 -0.644 1.00 10.83 H new ATOM 56 N PHE A 4 4.777 -7.225 2.307 1.00 4.55 N ATOM 57 CA PHE A 4 3.608 -7.888 2.836 1.00 4.68 C ATOM 58 C PHE A 4 2.563 -6.835 3.028 1.00 5.30 C ATOM 59 O PHE A 4 2.920 -5.743 3.394 1.00 5.58 O ATOM 60 CB PHE A 4 3.888 -8.623 4.218 1.00 4.83 C ATOM 61 CG PHE A 4 4.715 -9.868 3.927 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.249 -10.897 3.014 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.016 -9.966 4.442 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.061 -11.984 2.642 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.814 -11.091 4.081 1.00 10.61 C ATOM 66 CZ PHE A 4 6.361 -12.038 3.106 1.00 8.90 C ATOM 0 H PHE A 4 5.150 -6.487 2.904 1.00 4.55 H new ATOM 0 HA PHE A 4 3.291 -8.663 2.138 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.422 -7.962 4.901 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.950 -8.893 4.703 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.250 -10.826 2.609 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.406 -9.203 5.100 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.674 -12.764 2.003 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.776 -11.232 4.551 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.036 -12.794 2.734 1.00 8.90 H new ATOM 76 N VAL A 5 1.231 -7.085 2.779 1.00 4.44 N ATOM 77 CA VAL A 5 0.177 -6.086 2.975 1.00 3.87 C ATOM 78 C VAL A 5 -0.826 -6.741 3.910 1.00 4.93 C ATOM 79 O VAL A 5 -1.190 -7.900 3.717 1.00 6.84 O ATOM 80 CB VAL A 5 -0.472 -5.652 1.693 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.809 -4.985 2.039 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.468 -4.636 1.001 1.00 9.13 C ATOM 0 H VAL A 5 0.886 -7.983 2.441 1.00 4.44 H new ATOM 0 HA VAL A 5 0.593 -5.168 3.390 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.649 -6.497 1.027 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.301 -4.660 1.122 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.447 -5.698 2.561 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.630 -4.122 2.680 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.019 -4.304 0.065 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.620 -3.777 1.655 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.428 -5.110 0.795 1.00 9.13 H new ATOM 92 N LYS A 6 -1.357 -6.013 4.932 1.00 6.04 N ATOM 93 CA LYS A 6 -2.295 -6.506 5.928 1.00 6.12 C ATOM 94 C LYS A 6 -3.593 -5.639 5.787 1.00 6.57 C ATOM 95 O LYS A 6 -3.560 -4.430 5.985 1.00 5.76 O ATOM 96 CB LYS A 6 -1.951 -6.278 7.391 1.00 7.45 C ATOM 97 CG LYS A 6 -0.911 -7.260 7.979 1.00 11.12 C ATOM 98 CD LYS A 6 -1.422 -8.689 8.154 1.00 14.54 C ATOM 99 CE LYS A 6 -0.762 -9.426 9.348 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.275 -10.786 9.403 1.00 20.55 N ATOM 0 H LYS A 6 -1.121 -5.031 5.072 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.339 -7.578 5.735 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.574 -5.262 7.506 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.866 -6.347 7.979 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.037 -7.277 7.328 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.581 -6.884 8.947 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.502 -8.668 8.299 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.235 -9.251 7.239 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.322 -9.436 9.232 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.978 -8.903 10.280 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.710 -11.343 10.075 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.267 -10.770 9.714 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.215 -11.218 8.459 1.00 20.55 H new ATOM 114 N THR A 7 -4.704 -6.314 5.518 1.00 7.41 N ATOM 115 CA THR A 7 -5.959 -5.773 5.215 1.00 7.48 C ATOM 116 C THR A 7 -6.782 -5.539 6.478 1.00 8.75 C ATOM 117 O THR A 7 -6.283 -5.720 7.573 1.00 8.58 O ATOM 118 CB THR A 7 -6.778 -6.544 4.164 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.263 -7.754 4.620 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.857 -6.869 2.939 1.00 9.17 C ATOM 0 H THR A 7 -4.717 -7.334 5.514 1.00 7.41 H new ATOM 0 HA THR A 7 -5.731 -4.817 4.744 1.00 7.48 H new ATOM 0 HB THR A 7 -7.623 -5.904 3.910 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.774 -8.191 3.907 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.429 -7.415 2.189 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.485 -5.940 2.507 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.015 -7.478 3.268 1.00 9.17 H new ATOM 128 N LEU A 8 -8.087 -5.095 6.371 1.00 9.84 N ATOM 129 CA LEU A 8 -8.799 -4.638 7.544 1.00 14.15 C ATOM 130 C LEU A 8 -9.169 -5.752 8.514 1.00 17.37 C ATOM 131 O LEU A 8 -9.287 -5.463 9.722 1.00 17.01 O ATOM 132 CB LEU A 8 -10.119 -3.943 7.144 1.00 16.63 C ATOM 133 CG LEU A 8 -10.046 -2.585 6.601 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.375 -2.151 6.006 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.660 -1.478 7.583 1.00 18.59 C ATOM 0 H LEU A 8 -8.618 -5.058 5.501 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.108 -3.956 8.039 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.616 -4.571 6.405 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.762 -3.916 8.024 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.249 -2.682 5.864 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.284 -1.139 5.613 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.652 -2.830 5.200 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.144 -2.172 6.778 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.640 -0.521 7.062 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.391 -1.437 8.391 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.673 -1.687 7.997 1.00 18.59 H new ATOM 147 N THR A 9 -9.371 -7.004 8.078 1.00 18.33 N ATOM 148 CA THR A 9 -9.516 -8.254 8.779 1.00 19.24 C ATOM 149 C THR A 9 -8.239 -8.748 9.269 1.00 19.48 C ATOM 150 O THR A 9 -8.181 -9.705 10.004 1.00 23.14 O ATOM 151 CB THR A 9 -10.114 -9.342 7.862 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.604 -9.258 6.549 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.672 -9.238 7.907 1.00 19.70 C ATOM 0 H THR A 9 -9.444 -7.166 7.074 1.00 18.33 H new ATOM 0 HA THR A 9 -10.183 -8.055 9.618 1.00 19.24 H new ATOM 0 HB THR A 9 -9.820 -10.326 8.226 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.003 -9.963 5.997 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.106 -10.002 7.262 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.017 -9.387 8.930 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.981 -8.252 7.560 1.00 19.70 H new ATOM 161 N GLY A 10 -7.088 -8.086 8.868 1.00 19.43 N ATOM 162 CA GLY A 10 -5.780 -8.532 9.224 1.00 18.74 C ATOM 163 C GLY A 10 -5.237 -9.732 8.443 1.00 17.62 C ATOM 164 O GLY A 10 -4.295 -10.322 8.905 1.00 19.74 O ATOM 0 H GLY A 10 -7.096 -7.242 8.296 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.088 -7.699 9.097 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.782 -8.786 10.284 1.00 18.74 H new ATOM 168 N LYS A 11 -5.902 -10.135 7.326 1.00 13.56 N ATOM 169 CA LYS A 11 -5.386 -11.212 6.512 1.00 11.91 C ATOM 170 C LYS A 11 -4.185 -10.580 5.746 1.00 10.18 C ATOM 171 O LYS A 11 -4.225 -9.407 5.413 1.00 9.10 O ATOM 172 CB LYS A 11 -6.473 -11.771 5.524 1.00 13.43 C ATOM 173 CG LYS A 11 -5.984 -12.793 4.511 1.00 16.69 C ATOM 174 CD LYS A 11 -6.933 -12.961 3.343 1.00 17.92 C ATOM 175 CE LYS A 11 -6.862 -11.756 2.354 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.819 -11.917 1.263 1.00 21.93 N ATOM 0 H LYS A 11 -6.775 -9.726 6.994 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.086 -12.070 7.113 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.272 -12.223 6.111 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.911 -10.932 4.983 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.006 -12.489 4.138 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.851 -13.755 5.007 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.693 -13.881 2.811 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.952 -13.064 3.716 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.068 -10.829 2.889 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.854 -11.673 1.949 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.586 -11.254 0.496 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.775 -12.892 0.903 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.779 -11.720 1.611 1.00 21.93 H new ATOM 190 N THR A 12 -3.108 -11.402 5.612 1.00 9.63 N ATOM 191 CA THR A 12 -1.885 -11.054 4.933 1.00 9.85 C ATOM 192 C THR A 12 -2.041 -11.403 3.428 1.00 11.66 C ATOM 193 O THR A 12 -2.571 -12.451 3.094 1.00 12.33 O ATOM 194 CB THR A 12 -0.657 -11.783 5.487 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.684 -11.948 6.881 1.00 10.91 O ATOM 196 CG2 THR A 12 0.512 -10.826 5.214 1.00 9.63 C ATOM 0 H THR A 12 -3.094 -12.347 5.994 1.00 9.63 H new ATOM 0 HA THR A 12 -1.718 -9.988 5.087 1.00 9.85 H new ATOM 0 HB THR A 12 -0.597 -12.771 5.031 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.160 -11.631 7.264 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.438 -11.269 5.580 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.594 -10.648 4.142 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.335 -9.880 5.726 1.00 9.63 H new ATOM 204 N ILE A 13 -1.570 -10.512 2.587 1.00 10.42 N ATOM 205 CA ILE A 13 -1.221 -10.715 1.214 1.00 11.84 C ATOM 206 C ILE A 13 0.206 -10.418 0.966 1.00 10.55 C ATOM 207 O ILE A 13 0.880 -9.808 1.785 1.00 11.92 O ATOM 208 CB ILE A 13 -2.093 -10.062 0.173 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.171 -8.489 0.477 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.536 -10.684 0.246 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.010 -7.669 -0.544 1.00 16.46 C ATOM 0 H ILE A 13 -1.411 -9.547 2.878 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.416 -11.778 1.076 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.677 -10.225 -0.821 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.594 -8.346 1.472 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.158 -8.087 0.500 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.172 -10.216 -0.505 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.480 -11.756 0.057 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.957 -10.512 1.237 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.006 -6.617 -0.257 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.578 -7.776 -1.539 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.035 -8.039 -0.552 1.00 16.46 H new ATOM 223 N THR A 14 0.786 -10.944 -0.145 1.00 9.39 N ATOM 224 CA THR A 14 2.177 -10.756 -0.503 1.00 9.63 C ATOM 225 C THR A 14 2.274 -10.003 -1.798 1.00 11.20 C ATOM 226 O THR A 14 1.568 -10.412 -2.741 1.00 11.63 O ATOM 227 CB THR A 14 2.797 -12.143 -0.779 1.00 10.38 C ATOM 228 OG1 THR A 14 2.634 -13.019 0.333 1.00 16.30 O ATOM 229 CG2 THR A 14 4.326 -12.086 -1.075 1.00 11.66 C ATOM 0 H THR A 14 0.273 -11.517 -0.815 1.00 9.39 H new ATOM 0 HA THR A 14 2.679 -10.221 0.304 1.00 9.63 H new ATOM 0 HB THR A 14 2.266 -12.509 -1.658 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.036 -13.889 0.126 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.699 -13.093 -1.260 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.504 -11.466 -1.954 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.847 -11.658 -0.218 1.00 11.66 H new ATOM 237 N LEU A 15 3.090 -8.937 -1.953 1.00 8.29 N ATOM 238 CA LEU A 15 3.265 -8.376 -3.248 1.00 9.03 C ATOM 239 C LEU A 15 4.761 -8.468 -3.624 1.00 8.59 C ATOM 240 O LEU A 15 5.612 -8.736 -2.749 1.00 7.79 O ATOM 241 CB LEU A 15 2.859 -6.931 -3.368 1.00 11.08 C ATOM 242 CG LEU A 15 1.472 -6.497 -2.777 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.429 -4.983 -2.818 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.271 -7.229 -3.461 1.00 15.27 C ATOM 0 H LEU A 15 3.610 -8.481 -1.203 1.00 8.29 H new ATOM 0 HA LEU A 15 2.615 -8.947 -3.911 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.629 -6.328 -2.886 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.866 -6.670 -4.426 1.00 11.08 H new ATOM 0 HG LEU A 15 1.364 -6.811 -1.739 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.478 -4.635 -2.415 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.246 -4.579 -2.220 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.532 -4.644 -3.849 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.664 -6.891 -3.014 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.266 -7.002 -4.527 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.373 -8.305 -3.320 1.00 15.27 H new ATOM 256 N GLU A 16 5.105 -8.322 -4.841 1.00 11.04 N ATOM 257 CA GLU A 16 6.455 -8.122 -5.393 1.00 11.50 C ATOM 258 C GLU A 16 6.501 -6.668 -5.867 1.00 10.13 C ATOM 259 O GLU A 16 5.640 -6.308 -6.644 1.00 9.83 O ATOM 260 CB GLU A 16 6.823 -9.178 -6.462 1.00 17.22 C ATOM 261 CG GLU A 16 8.282 -9.249 -7.084 1.00 23.33 C ATOM 262 CD GLU A 16 9.293 -9.901 -6.138 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.056 -10.881 -5.415 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.450 -9.393 -6.120 1.00 28.86 O ATOM 0 H GLU A 16 4.403 -8.335 -5.581 1.00 11.04 H new ATOM 0 HA GLU A 16 7.231 -8.280 -4.644 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.615 -10.156 -6.027 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.130 -9.044 -7.292 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.248 -9.811 -8.017 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.618 -8.242 -7.330 1.00 23.33 H new ATOM 271 N VAL A 17 7.469 -5.891 -5.426 1.00 8.99 N ATOM 272 CA VAL A 17 7.651 -4.501 -5.728 1.00 8.85 C ATOM 273 C VAL A 17 9.102 -4.183 -5.987 1.00 8.04 C ATOM 274 O VAL A 17 9.966 -4.935 -5.512 1.00 8.99 O ATOM 275 CB VAL A 17 7.090 -3.569 -4.667 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.572 -3.598 -4.760 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.536 -4.015 -3.276 1.00 10.54 C ATOM 0 H VAL A 17 8.195 -6.247 -4.805 1.00 8.99 H new ATOM 0 HA VAL A 17 7.076 -4.322 -6.637 1.00 8.85 H new ATOM 0 HB VAL A 17 7.459 -2.557 -4.833 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.149 -2.935 -4.006 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.262 -3.266 -5.751 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.216 -4.614 -4.590 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.126 -3.337 -2.528 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.177 -5.026 -3.085 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.625 -4.000 -3.221 1.00 10.54 H new ATOM 287 N GLU A 18 9.389 -3.047 -6.576 1.00 7.29 N ATOM 288 CA GLU A 18 10.750 -2.583 -6.465 1.00 7.08 C ATOM 289 C GLU A 18 10.805 -1.454 -5.482 1.00 6.45 C ATOM 290 O GLU A 18 9.770 -0.814 -5.213 1.00 5.28 O ATOM 291 CB GLU A 18 11.233 -2.030 -7.848 1.00 10.28 C ATOM 292 CG GLU A 18 11.455 -3.134 -8.899 1.00 12.65 C ATOM 293 CD GLU A 18 12.707 -3.885 -8.600 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.827 -3.286 -8.505 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.636 -5.137 -8.590 1.00 14.33 O ATOM 0 H GLU A 18 8.745 -2.459 -7.105 1.00 7.29 H new ATOM 0 HA GLU A 18 11.382 -3.411 -6.144 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.497 -1.321 -8.226 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.163 -1.479 -7.707 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.605 -3.817 -8.905 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.516 -2.692 -9.894 1.00 12.65 H new ATOM 302 N PRO A 19 11.891 -1.081 -4.966 1.00 7.24 N ATOM 303 CA PRO A 19 11.877 0.086 -4.031 1.00 7.07 C ATOM 304 C PRO A 19 11.684 1.425 -4.727 1.00 6.65 C ATOM 305 O PRO A 19 11.367 2.378 -4.040 1.00 6.37 O ATOM 306 CB PRO A 19 13.265 -0.003 -3.406 1.00 7.61 C ATOM 307 CG PRO A 19 14.129 -0.801 -4.431 1.00 8.16 C ATOM 308 CD PRO A 19 13.178 -1.825 -4.948 1.00 7.49 C ATOM 0 HA PRO A 19 11.047 0.043 -3.326 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.681 0.989 -3.229 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.230 -0.510 -2.442 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.504 -0.159 -5.229 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.997 -1.259 -3.957 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.459 -2.176 -5.941 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.132 -2.701 -4.301 1.00 7.49 H new ATOM 316 N SER A 20 11.802 1.444 -6.060 1.00 6.80 N ATOM 317 CA SER A 20 11.527 2.630 -6.895 1.00 6.28 C ATOM 318 C SER A 20 10.163 2.616 -7.423 1.00 8.45 C ATOM 319 O SER A 20 9.842 3.471 -8.289 1.00 7.26 O ATOM 320 CB SER A 20 12.427 2.726 -8.114 1.00 8.57 C ATOM 321 OG SER A 20 13.801 2.864 -7.797 1.00 11.13 O ATOM 0 H SER A 20 12.094 0.629 -6.600 1.00 6.80 H new ATOM 0 HA SER A 20 11.699 3.471 -6.224 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.292 1.834 -8.726 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.115 3.577 -8.719 1.00 8.57 H new ATOM 0 HG SER A 20 14.324 2.918 -8.624 1.00 11.13 H new ATOM 327 N ASP A 21 9.284 1.636 -7.003 1.00 7.50 N ATOM 328 CA ASP A 21 7.901 1.704 -7.255 1.00 7.70 C ATOM 329 C ASP A 21 7.193 2.746 -6.387 1.00 7.08 C ATOM 330 O ASP A 21 7.555 2.925 -5.249 1.00 8.11 O ATOM 331 CB ASP A 21 7.119 0.386 -7.172 1.00 11.00 C ATOM 332 CG ASP A 21 7.576 -0.472 -8.331 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.805 0.063 -9.418 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.648 -1.723 -8.242 1.00 14.36 O ATOM 0 H ASP A 21 9.572 0.804 -6.487 1.00 7.50 H new ATOM 0 HA ASP A 21 7.887 2.000 -8.304 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.308 -0.115 -6.223 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.046 0.570 -7.228 1.00 11.00 H new ATOM 339 N THR A 22 6.338 3.578 -6.968 1.00 5.37 N ATOM 340 CA THR A 22 5.494 4.535 -6.165 1.00 6.01 C ATOM 341 C THR A 22 4.297 3.930 -5.390 1.00 8.01 C ATOM 342 O THR A 22 3.925 2.766 -5.570 1.00 8.11 O ATOM 343 CB THR A 22 4.933 5.659 -6.987 1.00 8.92 C ATOM 344 OG1 THR A 22 3.938 5.344 -7.999 1.00 10.22 O ATOM 345 CG2 THR A 22 6.106 6.372 -7.677 1.00 9.65 C ATOM 0 H THR A 22 6.191 3.631 -7.976 1.00 5.37 H new ATOM 0 HA THR A 22 6.229 4.882 -5.439 1.00 6.01 H new ATOM 0 HB THR A 22 4.386 6.265 -6.265 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.662 6.167 -8.453 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.726 7.195 -8.282 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.789 6.762 -6.923 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.636 5.666 -8.316 1.00 9.65 H new ATOM 353 N ILE A 23 3.673 4.704 -4.467 1.00 8.32 N ATOM 354 CA ILE A 23 2.572 4.316 -3.638 1.00 9.92 C ATOM 355 C ILE A 23 1.324 4.047 -4.514 1.00 10.01 C ATOM 356 O ILE A 23 0.524 3.123 -4.189 1.00 8.71 O ATOM 357 CB ILE A 23 2.393 5.292 -2.505 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.651 5.382 -1.640 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.133 4.915 -1.613 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.120 4.058 -0.878 1.00 12.30 C ATOM 0 H ILE A 23 3.964 5.666 -4.294 1.00 8.32 H new ATOM 0 HA ILE A 23 2.770 3.368 -3.139 1.00 9.92 H new ATOM 0 HB ILE A 23 2.217 6.272 -2.949 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.473 5.713 -2.275 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.491 6.160 -0.894 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.031 5.638 -0.804 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.234 4.930 -2.229 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.269 3.918 -1.194 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.023 4.269 -0.305 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.330 3.728 -0.203 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.327 3.273 -1.606 1.00 12.30 H new ATOM 372 N GLU A 24 1.093 4.749 -5.631 1.00 9.54 N ATOM 373 CA GLU A 24 -0.003 4.461 -6.557 1.00 11.81 C ATOM 374 C GLU A 24 0.035 3.077 -7.160 1.00 11.14 C ATOM 375 O GLU A 24 -0.980 2.350 -7.276 1.00 10.62 O ATOM 376 CB GLU A 24 -0.041 5.506 -7.720 1.00 19.24 C ATOM 377 CG GLU A 24 -1.372 5.469 -8.501 1.00 27.76 C ATOM 378 CD GLU A 24 -1.319 6.459 -9.621 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.680 7.646 -9.433 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.940 6.087 -10.767 1.00 34.80 O ATOM 0 H GLU A 24 1.669 5.540 -5.917 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.903 4.523 -5.945 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.110 6.505 -7.312 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.785 5.313 -8.405 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.548 4.468 -8.894 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.203 5.701 -7.835 1.00 27.76 H new ATOM 387 N ASN A 25 1.298 2.684 -7.474 1.00 9.43 N ATOM 388 CA ASN A 25 1.695 1.433 -8.108 1.00 10.96 C ATOM 389 C ASN A 25 1.375 0.243 -7.239 1.00 9.68 C ATOM 390 O ASN A 25 0.878 -0.730 -7.791 1.00 9.33 O ATOM 391 CB ASN A 25 3.232 1.530 -8.508 1.00 16.78 C ATOM 392 CG ASN A 25 3.636 0.320 -9.248 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.761 -0.783 -8.736 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.744 0.443 -10.625 1.00 24.70 N ATOM 0 H ASN A 25 2.102 3.279 -7.273 1.00 9.43 H new ATOM 0 HA ASN A 25 1.118 1.277 -9.019 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.402 2.415 -9.121 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.843 1.640 -7.612 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.926 -0.381 -11.198 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.642 1.358 -11.065 1.00 24.70 H new ATOM 401 N VAL A 26 1.672 0.291 -5.909 1.00 6.52 N ATOM 402 CA VAL A 26 1.333 -0.617 -4.883 1.00 5.53 C ATOM 403 C VAL A 26 -0.182 -0.787 -4.834 1.00 4.42 C ATOM 404 O VAL A 26 -0.627 -1.970 -4.840 1.00 3.40 O ATOM 405 CB VAL A 26 1.873 -0.159 -3.535 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.474 -1.128 -2.426 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.375 -0.071 -3.610 1.00 8.12 C ATOM 0 H VAL A 26 2.215 1.070 -5.536 1.00 6.52 H new ATOM 0 HA VAL A 26 1.794 -1.580 -5.103 1.00 5.53 H new ATOM 0 HB VAL A 26 1.449 0.818 -3.303 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.873 -0.776 -1.475 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.387 -1.184 -2.365 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.876 -2.117 -2.645 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.769 0.257 -2.648 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.785 -1.051 -3.855 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.659 0.645 -4.381 1.00 8.12 H new ATOM 417 N LYS A 27 -0.909 0.367 -4.798 1.00 2.64 N ATOM 418 CA LYS A 27 -2.384 0.305 -4.886 1.00 4.14 C ATOM 419 C LYS A 27 -2.962 -0.450 -6.087 1.00 5.58 C ATOM 420 O LYS A 27 -3.961 -1.185 -5.924 1.00 4.11 O ATOM 421 CB LYS A 27 -2.992 1.711 -4.818 1.00 3.97 C ATOM 422 CG LYS A 27 -2.753 2.499 -3.510 1.00 7.45 C ATOM 423 CD LYS A 27 -3.325 3.982 -3.660 1.00 9.02 C ATOM 424 CE LYS A 27 -3.298 4.784 -2.357 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.051 6.079 -2.527 1.00 15.47 N ATOM 0 H LYS A 27 -0.515 1.304 -4.713 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.669 -0.290 -4.018 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.594 2.296 -5.647 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.067 1.626 -4.975 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.241 1.994 -2.676 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.687 2.532 -3.284 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.744 4.512 -4.415 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.351 3.932 -4.025 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.743 4.199 -1.552 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.267 4.989 -2.069 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.471 6.867 -2.174 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.262 6.228 -3.534 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.940 6.037 -1.990 1.00 15.47 H new ATOM 439 N ALA A 28 -2.400 -0.262 -7.273 1.00 6.61 N ATOM 440 CA ALA A 28 -2.773 -1.003 -8.480 1.00 7.74 C ATOM 441 C ALA A 28 -2.478 -2.483 -8.327 1.00 9.17 C ATOM 442 O ALA A 28 -3.312 -3.290 -8.806 1.00 11.45 O ATOM 443 CB ALA A 28 -2.010 -0.470 -9.687 1.00 7.68 C ATOM 0 H ALA A 28 -1.659 0.421 -7.431 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.844 -0.868 -8.630 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.298 -1.031 -10.576 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.247 0.584 -9.830 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.939 -0.582 -9.519 1.00 7.68 H new ATOM 449 N LYS A 29 -1.343 -2.895 -7.653 1.00 8.96 N ATOM 450 CA LYS A 29 -1.213 -4.324 -7.311 1.00 7.90 C ATOM 451 C LYS A 29 -2.132 -4.882 -6.181 1.00 6.92 C ATOM 452 O LYS A 29 -2.613 -5.992 -6.270 1.00 6.87 O ATOM 453 CB LYS A 29 0.290 -4.571 -6.995 1.00 10.28 C ATOM 454 CG LYS A 29 1.100 -4.707 -8.336 1.00 14.94 C ATOM 455 CD LYS A 29 2.529 -5.111 -8.062 1.00 19.69 C ATOM 456 CE LYS A 29 3.325 -5.444 -9.339 1.00 22.63 C ATOM 457 NZ LYS A 29 4.745 -5.544 -9.169 1.00 24.98 N ATOM 0 H LYS A 29 -0.572 -2.294 -7.364 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.571 -4.885 -8.174 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.687 -3.747 -6.402 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.402 -5.476 -6.398 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.625 -5.448 -8.979 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.082 -3.759 -8.874 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.032 -4.304 -7.529 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.534 -5.979 -7.403 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.957 -6.388 -9.741 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.118 -4.677 -10.086 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.123 -6.259 -9.823 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.184 -4.623 -9.371 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.959 -5.823 -8.190 1.00 24.98 H new ATOM 471 N ILE A 30 -2.523 -4.113 -5.134 1.00 4.57 N ATOM 472 CA ILE A 30 -3.561 -4.403 -4.131 1.00 5.58 C ATOM 473 C ILE A 30 -4.899 -4.517 -4.854 1.00 7.26 C ATOM 474 O ILE A 30 -5.719 -5.373 -4.486 1.00 9.46 O ATOM 475 CB ILE A 30 -3.576 -3.410 -3.027 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.270 -3.633 -2.140 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.812 -3.383 -2.113 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.927 -2.372 -1.375 1.00 2.00 C ATOM 0 H ILE A 30 -2.084 -3.208 -4.962 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.343 -5.350 -3.638 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.607 -2.441 -3.526 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.432 -4.455 -1.443 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.434 -3.917 -2.779 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.686 -2.611 -1.353 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.699 -3.166 -2.707 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.928 -4.353 -1.629 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.033 -2.542 -0.775 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.743 -1.559 -2.077 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.758 -2.106 -0.721 1.00 2.00 H new ATOM 490 N GLN A 31 -5.190 -3.692 -5.858 1.00 7.06 N ATOM 491 CA GLN A 31 -6.421 -3.826 -6.590 1.00 8.67 C ATOM 492 C GLN A 31 -6.539 -5.190 -7.353 1.00 10.90 C ATOM 493 O GLN A 31 -7.630 -5.753 -7.504 1.00 9.63 O ATOM 494 CB GLN A 31 -6.476 -2.676 -7.510 1.00 9.12 C ATOM 495 CG GLN A 31 -7.752 -2.566 -8.405 1.00 10.76 C ATOM 496 CD GLN A 31 -7.634 -1.451 -9.497 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.502 -1.112 -9.820 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.782 -0.974 -10.056 1.00 14.76 N ATOM 0 H GLN A 31 -4.586 -2.932 -6.172 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.268 -3.830 -5.904 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.391 -1.763 -6.921 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.603 -2.717 -8.162 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.934 -3.525 -8.890 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.616 -2.359 -7.774 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.687 -1.310 -9.727 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.736 -0.281 -10.803 1.00 14.76 H new ATOM 507 N ASP A 32 -5.434 -5.668 -7.979 1.00 10.93 N ATOM 508 CA ASP A 32 -5.420 -6.942 -8.658 1.00 14.01 C ATOM 509 C ASP A 32 -5.655 -8.108 -7.660 1.00 14.04 C ATOM 510 O ASP A 32 -6.491 -8.973 -7.884 1.00 13.39 O ATOM 511 CB ASP A 32 -4.127 -7.093 -9.325 1.00 18.01 C ATOM 512 CG ASP A 32 -3.949 -8.396 -10.147 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.560 -8.615 -11.210 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.043 -9.235 -9.864 1.00 26.29 O ATOM 0 H ASP A 32 -4.546 -5.168 -8.014 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.226 -6.974 -9.391 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.979 -6.242 -9.989 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.341 -7.049 -8.571 1.00 18.01 H new ATOM 519 N LYS A 33 -4.936 -8.140 -6.532 1.00 14.22 N ATOM 520 CA LYS A 33 -5.212 -9.013 -5.416 1.00 14.00 C ATOM 521 C LYS A 33 -6.636 -9.001 -4.814 1.00 12.37 C ATOM 522 O LYS A 33 -7.348 -10.014 -4.829 1.00 12.17 O ATOM 523 CB LYS A 33 -4.146 -8.653 -4.318 1.00 18.62 C ATOM 524 CG LYS A 33 -2.745 -9.229 -4.671 1.00 24.00 C ATOM 525 CD LYS A 33 -2.659 -10.757 -4.491 1.00 27.61 C ATOM 526 CE LYS A 33 -1.219 -11.251 -4.484 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.061 -12.642 -4.014 1.00 30.06 N ATOM 0 H LYS A 33 -4.127 -7.538 -6.379 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.149 -10.032 -5.797 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.080 -7.570 -4.216 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.469 -9.045 -3.354 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.504 -8.976 -5.704 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.993 -8.752 -4.042 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.144 -11.040 -3.556 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.207 -11.248 -5.295 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.814 -11.172 -5.493 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.624 -10.595 -3.849 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.055 -12.904 -4.038 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.416 -12.722 -3.040 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.600 -13.281 -4.633 1.00 30.06 H new ATOM 541 N GLU A 34 -7.108 -7.906 -4.217 1.00 10.11 N ATOM 542 CA GLU A 34 -8.303 -7.815 -3.404 1.00 10.07 C ATOM 543 C GLU A 34 -9.489 -7.106 -4.131 1.00 9.32 C ATOM 544 O GLU A 34 -10.500 -6.986 -3.514 1.00 11.61 O ATOM 545 CB GLU A 34 -8.004 -6.987 -2.104 1.00 14.77 C ATOM 546 CG GLU A 34 -7.149 -7.661 -0.982 1.00 18.75 C ATOM 547 CD GLU A 34 -7.721 -8.894 -0.326 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.681 -8.799 0.459 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.192 -10.023 -0.615 1.00 25.19 O ATOM 0 H GLU A 34 -6.631 -7.008 -4.298 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.589 -8.843 -3.181 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.498 -6.069 -2.403 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.959 -6.697 -1.666 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.180 -7.923 -1.407 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.966 -6.919 -0.205 1.00 18.75 H new ATOM 556 N GLY A 35 -9.294 -6.558 -5.331 1.00 7.22 N ATOM 557 CA GLY A 35 -10.388 -6.068 -6.087 1.00 6.29 C ATOM 558 C GLY A 35 -10.764 -4.662 -5.742 1.00 6.93 C ATOM 559 O GLY A 35 -11.743 -4.149 -6.268 1.00 7.41 O ATOM 0 H GLY A 35 -8.383 -6.454 -5.777 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.140 -6.121 -7.147 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.250 -6.716 -5.928 1.00 6.29 H new ATOM 563 N ILE A 36 -10.045 -3.917 -4.873 1.00 5.86 N ATOM 564 CA ILE A 36 -10.366 -2.609 -4.318 1.00 6.07 C ATOM 565 C ILE A 36 -9.751 -1.500 -5.165 1.00 6.36 C ATOM 566 O ILE A 36 -8.541 -1.584 -5.327 1.00 6.18 O ATOM 567 CB ILE A 36 -9.846 -2.459 -2.874 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.367 -3.610 -1.890 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.305 -1.055 -2.306 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.614 -3.702 -0.582 1.00 9.49 C ATOM 0 H ILE A 36 -9.150 -4.257 -4.520 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.453 -2.526 -4.318 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.760 -2.540 -2.916 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.422 -3.438 -1.676 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.297 -4.569 -2.403 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.942 -0.939 -1.285 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.896 -0.259 -2.929 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.393 -0.998 -2.313 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.032 -4.507 0.023 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.562 -3.907 -0.781 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.704 -2.759 -0.043 1.00 9.49 H new ATOM 582 N PRO A 37 -10.490 -0.528 -5.650 1.00 8.65 N ATOM 583 CA PRO A 37 -9.925 0.478 -6.564 1.00 9.18 C ATOM 584 C PRO A 37 -8.982 1.422 -5.811 1.00 9.85 C ATOM 585 O PRO A 37 -9.332 1.671 -4.629 1.00 8.51 O ATOM 586 CB PRO A 37 -11.234 1.244 -6.936 1.00 11.42 C ATOM 587 CG PRO A 37 -12.356 0.198 -6.923 1.00 9.27 C ATOM 588 CD PRO A 37 -11.983 -0.518 -5.631 1.00 8.33 C ATOM 0 HA PRO A 37 -9.348 0.075 -7.396 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.436 2.041 -6.221 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.147 1.711 -7.917 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.350 0.644 -6.888 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.332 -0.459 -7.793 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.369 0.006 -4.757 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.390 -1.529 -5.602 1.00 8.33 H new ATOM 596 N PRO A 38 -7.875 1.950 -6.392 1.00 8.71 N ATOM 597 CA PRO A 38 -6.993 2.888 -5.719 1.00 9.08 C ATOM 598 C PRO A 38 -7.509 4.036 -4.958 1.00 9.28 C ATOM 599 O PRO A 38 -6.893 4.433 -3.962 1.00 6.50 O ATOM 600 CB PRO A 38 -5.971 3.401 -6.714 1.00 10.31 C ATOM 601 CG PRO A 38 -5.902 2.278 -7.783 1.00 10.81 C ATOM 602 CD PRO A 38 -7.236 1.482 -7.641 1.00 12.00 C ATOM 0 HA PRO A 38 -6.614 2.256 -4.915 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.279 4.351 -7.151 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.002 3.566 -6.243 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.799 2.696 -8.785 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.040 1.632 -7.618 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.886 1.658 -8.498 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.045 0.410 -7.601 1.00 12.00 H new ATOM 610 N ASP A 39 -8.605 4.617 -5.319 1.00 11.20 N ATOM 611 CA ASP A 39 -9.142 5.783 -4.595 1.00 14.96 C ATOM 612 C ASP A 39 -10.059 5.383 -3.390 1.00 13.99 C ATOM 613 O ASP A 39 -10.500 6.231 -2.602 1.00 13.75 O ATOM 614 CB ASP A 39 -9.964 6.542 -5.620 1.00 24.16 C ATOM 615 CG ASP A 39 -9.069 7.267 -6.678 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.274 8.179 -6.214 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.088 6.906 -7.895 1.00 34.22 O ATOM 0 H ASP A 39 -9.170 4.320 -6.115 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.326 6.367 -4.170 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.636 5.850 -6.128 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.588 7.276 -5.111 1.00 24.16 H new ATOM 622 N GLN A 40 -10.258 4.037 -3.152 1.00 11.60 N ATOM 623 CA GLN A 40 -10.879 3.518 -1.966 1.00 10.76 C ATOM 624 C GLN A 40 -9.795 2.938 -1.038 1.00 8.01 C ATOM 625 O GLN A 40 -9.988 2.576 0.094 1.00 8.96 O ATOM 626 CB GLN A 40 -11.883 2.420 -2.312 1.00 11.14 C ATOM 627 CG GLN A 40 -13.017 2.788 -3.296 1.00 14.85 C ATOM 628 CD GLN A 40 -14.037 1.730 -3.601 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.936 0.649 -3.042 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.039 1.997 -4.476 1.00 18.16 N ATOM 0 H GLN A 40 -9.974 3.311 -3.810 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.409 4.330 -1.468 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.332 1.577 -2.730 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.339 2.074 -1.384 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.541 3.656 -2.896 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.560 3.097 -4.236 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.094 2.911 -4.925 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.738 1.284 -4.684 1.00 18.16 H new ATOM 639 N GLN A 41 -8.503 3.082 -1.420 1.00 6.52 N ATOM 640 CA GLN A 41 -7.382 2.616 -0.606 1.00 3.87 C ATOM 641 C GLN A 41 -6.672 3.773 0.064 1.00 4.79 C ATOM 642 O GLN A 41 -6.364 4.809 -0.563 1.00 6.34 O ATOM 643 CB GLN A 41 -6.323 2.007 -1.539 1.00 4.20 C ATOM 644 CG GLN A 41 -6.934 0.780 -2.299 1.00 3.20 C ATOM 645 CD GLN A 41 -5.888 -0.062 -3.007 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.757 -0.162 -2.553 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.147 -0.625 -4.255 1.00 7.13 N ATOM 0 H GLN A 41 -8.222 3.522 -2.296 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.780 1.916 0.129 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.979 2.755 -2.253 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.453 1.694 -0.962 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.477 0.154 -1.590 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.660 1.137 -3.030 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.080 -0.558 -4.661 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.403 -1.104 -4.763 1.00 7.13 H new ATOM 656 N ARG A 42 -6.396 3.684 1.391 1.00 5.73 N ATOM 657 CA ARG A 42 -5.460 4.556 2.033 1.00 6.97 C ATOM 658 C ARG A 42 -4.432 3.709 2.712 1.00 7.15 C ATOM 659 O ARG A 42 -4.827 2.872 3.564 1.00 7.33 O ATOM 660 CB ARG A 42 -6.153 5.383 3.179 1.00 13.23 C ATOM 661 CG ARG A 42 -5.165 6.313 3.939 1.00 21.27 C ATOM 662 CD ARG A 42 -5.872 7.089 5.057 1.00 26.14 C ATOM 663 NE ARG A 42 -6.532 8.320 4.462 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.088 9.238 5.289 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.037 9.058 6.618 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.670 10.327 4.791 1.00 36.39 N ATOM 0 H ARG A 42 -6.828 3.002 2.015 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.042 5.224 1.280 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.954 5.985 2.751 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.614 4.695 3.888 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.356 5.718 4.363 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.711 7.014 3.238 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.618 6.458 5.540 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.155 7.380 5.825 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.557 8.454 3.451 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.580 8.231 7.004 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.455 9.748 7.242 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.699 10.474 3.782 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.087 11.015 5.418 1.00 36.39 H new ATOM 680 N LEU A 43 -3.161 3.794 2.378 1.00 4.65 N ATOM 681 CA LEU A 43 -2.148 2.873 2.802 1.00 3.51 C ATOM 682 C LEU A 43 -1.381 3.421 3.979 1.00 5.56 C ATOM 683 O LEU A 43 -1.256 4.682 4.055 1.00 4.19 O ATOM 684 CB LEU A 43 -1.183 2.436 1.661 1.00 3.74 C ATOM 685 CG LEU A 43 -1.720 2.082 0.238 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.582 1.357 -0.507 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.929 1.144 0.301 1.00 6.41 C ATOM 0 H LEU A 43 -2.800 4.538 1.781 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.673 1.969 3.111 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.455 3.237 1.536 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.638 1.563 2.022 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.033 2.998 -0.264 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.916 1.090 -1.510 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.285 2.014 -0.576 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.309 0.453 0.037 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.271 0.923 -0.710 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.645 0.217 0.799 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.733 1.624 0.859 1.00 6.41 H new ATOM 699 N ILE A 44 -0.976 2.537 4.887 1.00 4.58 N ATOM 700 CA ILE A 44 -0.426 2.817 6.223 1.00 5.55 C ATOM 701 C ILE A 44 0.820 2.049 6.395 1.00 5.46 C ATOM 702 O ILE A 44 0.828 0.850 6.126 1.00 6.04 O ATOM 703 CB ILE A 44 -1.431 2.471 7.328 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.732 3.358 7.212 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.788 2.653 8.738 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.501 4.909 7.487 1.00 13.90 C ATOM 0 H ILE A 44 -1.024 1.535 4.702 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.217 3.884 6.303 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.713 1.426 7.201 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.150 3.238 6.213 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.475 2.984 7.916 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.519 2.402 9.506 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.077 1.996 8.831 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.472 3.689 8.863 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.447 5.441 7.386 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.114 5.046 8.497 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.784 5.303 6.767 1.00 13.90 H new ATOM 718 N PHE A 45 1.893 2.730 6.856 1.00 6.75 N ATOM 719 CA PHE A 45 3.016 2.069 7.395 1.00 4.70 C ATOM 720 C PHE A 45 3.639 3.028 8.401 1.00 6.34 C ATOM 721 O PHE A 45 3.859 4.215 8.097 1.00 5.45 O ATOM 722 CB PHE A 45 4.059 1.784 6.261 1.00 5.51 C ATOM 723 CG PHE A 45 5.300 1.125 6.750 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.158 -0.086 7.401 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.563 1.663 6.504 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.213 -0.632 8.108 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.638 1.151 7.241 1.00 6.64 C ATOM 728 CZ PHE A 45 7.421 -0.003 8.018 1.00 6.84 C ATOM 0 H PHE A 45 1.967 3.747 6.848 1.00 6.75 H new ATOM 0 HA PHE A 45 2.729 1.123 7.855 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.596 1.153 5.503 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.323 2.724 5.776 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.215 -0.610 7.357 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.706 2.445 5.773 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.086 -1.521 8.708 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.607 1.628 7.214 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.254 -0.412 8.571 1.00 6.84 H new ATOM 738 N ALA A 46 3.875 2.564 9.643 1.00 6.53 N ATOM 739 CA ALA A 46 4.662 3.165 10.701 1.00 7.15 C ATOM 740 C ALA A 46 3.968 4.315 11.398 1.00 9.00 C ATOM 741 O ALA A 46 4.573 5.155 11.985 1.00 11.15 O ATOM 742 CB ALA A 46 6.094 3.458 10.228 1.00 8.99 C ATOM 0 H ALA A 46 3.476 1.675 9.944 1.00 6.53 H new ATOM 0 HA ALA A 46 4.758 2.426 11.497 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.661 3.909 11.043 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.574 2.528 9.923 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.064 4.146 9.383 1.00 8.99 H new ATOM 748 N GLY A 47 2.608 4.311 11.387 1.00 9.35 N ATOM 749 CA GLY A 47 1.789 5.399 11.952 1.00 11.68 C ATOM 750 C GLY A 47 1.550 6.480 10.960 1.00 11.14 C ATOM 751 O GLY A 47 0.971 7.566 11.220 1.00 13.93 O ATOM 0 H GLY A 47 2.057 3.552 10.986 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.834 4.997 12.290 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.288 5.813 12.828 1.00 11.68 H new ATOM 755 N LYS A 48 2.060 6.309 9.687 1.00 10.47 N ATOM 756 CA LYS A 48 2.004 7.282 8.599 1.00 8.82 C ATOM 757 C LYS A 48 1.198 6.811 7.407 1.00 7.68 C ATOM 758 O LYS A 48 1.358 5.763 6.845 1.00 6.47 O ATOM 759 CB LYS A 48 3.389 7.692 8.092 1.00 9.74 C ATOM 760 CG LYS A 48 4.273 8.252 9.157 1.00 14.14 C ATOM 761 CD LYS A 48 5.654 8.466 8.680 1.00 16.32 C ATOM 762 CE LYS A 48 6.333 9.473 9.660 1.00 20.04 C ATOM 763 NZ LYS A 48 7.610 9.795 9.100 1.00 23.92 N ATOM 0 H LYS A 48 2.533 5.448 9.411 1.00 10.47 H new ATOM 0 HA LYS A 48 1.507 8.140 9.051 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.875 6.824 7.647 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.273 8.433 7.301 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.861 9.198 9.508 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.286 7.574 10.010 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.202 7.524 8.656 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.653 8.860 7.664 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.724 10.370 9.776 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.445 9.033 10.651 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.102 10.467 9.722 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.178 8.928 9.009 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.479 10.224 8.162 1.00 23.92 H new ATOM 777 N GLN A 49 0.348 7.693 6.911 1.00 8.89 N ATOM 778 CA GLN A 49 -0.310 7.582 5.641 1.00 7.18 C ATOM 779 C GLN A 49 0.596 7.769 4.461 1.00 8.23 C ATOM 780 O GLN A 49 1.483 8.618 4.441 1.00 9.70 O ATOM 781 CB GLN A 49 -1.651 8.294 5.523 1.00 11.67 C ATOM 782 CG GLN A 49 -1.481 9.653 4.892 1.00 15.82 C ATOM 783 CD GLN A 49 -2.796 10.513 5.071 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.918 11.443 5.879 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.808 10.049 4.331 1.00 20.67 N ATOM 0 H GLN A 49 0.093 8.543 7.414 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.596 6.531 5.608 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.336 7.693 4.924 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.100 8.400 6.511 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.636 10.169 5.348 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.253 9.543 3.832 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.653 9.280 3.680 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.736 10.464 4.418 1.00 20.67 H new ATOM 794 N LEU A 50 0.500 6.826 3.495 1.00 6.51 N ATOM 795 CA LEU A 50 1.390 6.771 2.375 1.00 7.41 C ATOM 796 C LEU A 50 0.827 7.496 1.140 1.00 8.27 C ATOM 797 O LEU A 50 -0.337 7.324 0.688 1.00 8.34 O ATOM 798 CB LEU A 50 1.802 5.343 1.866 1.00 7.13 C ATOM 799 CG LEU A 50 2.276 4.425 2.965 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.424 3.008 2.366 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.523 4.938 3.643 1.00 9.11 C ATOM 0 H LEU A 50 -0.208 6.092 3.496 1.00 6.51 H new ATOM 0 HA LEU A 50 2.272 7.257 2.793 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.950 4.885 1.364 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.593 5.445 1.123 1.00 7.13 H new ATOM 0 HG LEU A 50 1.542 4.387 3.770 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.766 2.320 3.139 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.460 2.673 1.983 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.150 3.031 1.553 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.824 4.242 4.426 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.325 5.028 2.910 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.322 5.915 4.083 1.00 9.11 H new ATOM 813 N GLU A 51 1.625 8.514 0.605 1.00 9.43 N ATOM 814 CA GLU A 51 1.252 9.503 -0.431 1.00 11.90 C ATOM 815 C GLU A 51 1.585 9.032 -1.842 1.00 11.49 C ATOM 816 O GLU A 51 2.654 8.557 -2.160 1.00 9.88 O ATOM 817 CB GLU A 51 1.915 10.854 -0.174 1.00 16.56 C ATOM 818 CG GLU A 51 1.192 11.627 0.986 1.00 26.06 C ATOM 819 CD GLU A 51 1.813 12.960 1.215 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.747 13.354 0.427 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.322 13.713 2.088 1.00 33.44 O ATOM 0 H GLU A 51 2.586 8.646 0.921 1.00 9.43 H new ATOM 0 HA GLU A 51 0.170 9.613 -0.362 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.964 10.705 0.083 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.892 11.453 -1.084 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.137 11.752 0.741 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.239 11.039 1.903 1.00 26.06 H new ATOM 828 N ASP A 52 0.604 9.184 -2.749 1.00 12.71 N ATOM 829 CA ASP A 52 0.494 8.427 -3.999 1.00 16.56 C ATOM 830 C ASP A 52 1.736 8.521 -4.939 1.00 15.83 C ATOM 831 O ASP A 52 2.265 7.464 -5.366 1.00 17.21 O ATOM 832 CB ASP A 52 -0.832 8.620 -4.724 1.00 21.05 C ATOM 833 CG ASP A 52 -1.090 10.005 -5.256 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.016 11.007 -4.531 1.00 28.37 O ATOM 835 OD2 ASP A 52 -1.211 10.112 -6.501 1.00 25.82 O ATOM 0 H ASP A 52 -0.153 9.856 -2.625 1.00 12.71 H new ATOM 0 HA ASP A 52 0.493 7.389 -3.667 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.876 7.917 -5.556 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.640 8.357 -4.041 1.00 21.05 H new ATOM 840 N GLY A 53 2.255 9.713 -5.112 1.00 15.00 N ATOM 841 CA GLY A 53 3.291 10.169 -5.992 1.00 11.77 C ATOM 842 C GLY A 53 4.678 9.842 -5.499 1.00 11.10 C ATOM 843 O GLY A 53 5.701 10.095 -6.195 1.00 11.25 O ATOM 0 H GLY A 53 1.904 10.492 -4.555 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.147 9.720 -6.975 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.203 11.248 -6.118 1.00 11.77 H new ATOM 847 N ARG A 54 4.768 9.286 -4.258 1.00 8.53 N ATOM 848 CA ARG A 54 6.115 9.051 -3.643 1.00 9.05 C ATOM 849 C ARG A 54 6.558 7.572 -3.789 1.00 8.96 C ATOM 850 O ARG A 54 5.748 6.694 -4.047 1.00 11.60 O ATOM 851 CB ARG A 54 6.063 9.349 -2.152 1.00 7.97 C ATOM 852 CG ARG A 54 5.401 10.703 -1.793 1.00 9.62 C ATOM 853 CD ARG A 54 5.876 11.200 -0.440 1.00 12.20 C ATOM 854 NE ARG A 54 5.470 12.636 -0.280 1.00 18.23 N ATOM 855 CZ ARG A 54 6.298 13.672 -0.500 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.375 13.575 -1.231 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.986 14.830 0.048 1.00 23.38 N ATOM 0 H ARG A 54 3.972 9.004 -3.686 1.00 8.53 H new ATOM 0 HA ARG A 54 6.818 9.704 -4.160 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.518 8.548 -1.653 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.078 9.339 -1.756 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.637 11.442 -2.559 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.317 10.590 -1.783 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.444 10.595 0.357 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.959 11.103 -0.362 1.00 12.20 H new ATOM 0 HE ARG A 54 4.513 12.837 0.012 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.619 12.684 -1.664 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.973 14.390 -1.369 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.142 14.915 0.615 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.588 15.641 -0.095 1.00 23.38 H new ATOM 871 N THR A 55 7.872 7.337 -3.688 1.00 9.05 N ATOM 872 CA THR A 55 8.379 5.986 -3.763 1.00 9.03 C ATOM 873 C THR A 55 8.434 5.204 -2.442 1.00 8.15 C ATOM 874 O THR A 55 8.349 5.716 -1.374 1.00 5.91 O ATOM 875 CB THR A 55 9.773 5.941 -4.318 1.00 11.15 C ATOM 876 OG1 THR A 55 10.758 6.518 -3.503 1.00 11.95 O ATOM 877 CG2 THR A 55 9.755 6.450 -5.790 1.00 11.71 C ATOM 0 H THR A 55 8.582 8.058 -3.557 1.00 9.05 H new ATOM 0 HA THR A 55 7.644 5.511 -4.413 1.00 9.03 H new ATOM 0 HB THR A 55 10.096 4.900 -4.326 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.533 5.921 -3.454 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.765 6.419 -6.198 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.103 5.813 -6.387 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.384 7.475 -5.816 1.00 11.71 H new ATOM 885 N LEU A 56 8.568 3.857 -2.566 1.00 6.91 N ATOM 886 CA LEU A 56 8.897 3.099 -1.368 1.00 8.29 C ATOM 887 C LEU A 56 10.197 3.371 -0.646 1.00 8.05 C ATOM 888 O LEU A 56 10.205 3.488 0.547 1.00 10.17 O ATOM 889 CB LEU A 56 8.837 1.568 -1.786 1.00 6.60 C ATOM 890 CG LEU A 56 7.471 0.956 -2.120 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.568 -0.485 -2.654 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.431 1.040 -0.977 1.00 8.64 C ATOM 0 H LEU A 56 8.459 3.320 -3.426 1.00 6.91 H new ATOM 0 HA LEU A 56 8.168 3.421 -0.624 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.481 1.436 -2.655 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.272 0.985 -0.974 1.00 6.60 H new ATOM 0 HG LEU A 56 7.100 1.592 -2.924 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.568 -0.861 -2.871 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.166 -0.496 -3.565 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.039 -1.120 -1.904 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.496 0.583 -1.302 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.809 0.511 -0.102 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.255 2.085 -0.721 1.00 8.64 H new ATOM 904 N SER A 57 11.315 3.546 -1.364 1.00 8.92 N ATOM 905 CA SER A 57 12.517 4.073 -0.830 1.00 9.00 C ATOM 906 C SER A 57 12.384 5.517 -0.171 1.00 9.44 C ATOM 907 O SER A 57 12.994 5.783 0.825 1.00 10.91 O ATOM 908 CB SER A 57 13.680 4.250 -1.900 1.00 10.32 C ATOM 909 OG SER A 57 13.389 5.291 -2.891 1.00 13.59 O ATOM 0 H SER A 57 11.380 3.310 -2.354 1.00 8.92 H new ATOM 0 HA SER A 57 12.752 3.315 -0.083 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.608 4.496 -1.384 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.842 3.302 -2.413 1.00 10.32 H new ATOM 0 HG SER A 57 14.135 5.359 -3.522 1.00 13.59 H new ATOM 915 N ASP A 58 11.474 6.416 -0.655 1.00 9.11 N ATOM 916 CA ASP A 58 11.346 7.712 0.018 1.00 7.91 C ATOM 917 C ASP A 58 10.839 7.552 1.470 1.00 9.12 C ATOM 918 O ASP A 58 11.303 8.193 2.433 1.00 8.61 O ATOM 919 CB ASP A 58 10.265 8.549 -0.782 1.00 8.41 C ATOM 920 CG ASP A 58 10.847 9.044 -2.059 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.943 9.717 -1.984 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.163 8.991 -3.104 1.00 11.70 O ATOM 0 H ASP A 58 10.862 6.268 -1.457 1.00 9.11 H new ATOM 0 HA ASP A 58 12.322 8.197 0.045 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.392 7.929 -0.987 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.924 9.390 -0.178 1.00 8.41 H new ATOM 927 N TYR A 59 9.922 6.545 1.756 1.00 7.97 N ATOM 928 CA TYR A 59 9.486 6.206 3.114 1.00 8.45 C ATOM 929 C TYR A 59 10.345 5.214 3.766 1.00 10.98 C ATOM 930 O TYR A 59 10.047 4.905 4.884 1.00 12.95 O ATOM 931 CB TYR A 59 8.069 5.541 2.986 1.00 7.94 C ATOM 932 CG TYR A 59 7.035 6.613 2.645 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.884 7.639 3.617 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.301 6.526 1.558 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.865 8.542 3.433 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.302 7.452 1.332 1.00 6.52 C ATOM 937 CZ TYR A 59 4.987 8.438 2.333 1.00 6.76 C ATOM 938 OH TYR A 59 4.003 9.391 2.080 1.00 7.63 O ATOM 0 H TYR A 59 9.487 5.970 1.034 1.00 7.97 H new ATOM 0 HA TYR A 59 9.506 7.121 3.706 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.083 4.774 2.211 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.802 5.046 3.920 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.545 7.706 4.468 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.478 5.734 0.845 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.734 9.345 4.143 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.755 7.437 0.401 1.00 6.52 H new ATOM 0 HH TYR A 59 4.303 10.265 2.406 1.00 7.63 H new ATOM 948 N ASN A 60 11.400 4.784 3.091 1.00 12.38 N ATOM 949 CA ASN A 60 12.386 3.874 3.595 1.00 13.94 C ATOM 950 C ASN A 60 11.775 2.482 3.850 1.00 14.16 C ATOM 951 O ASN A 60 12.088 1.802 4.829 1.00 14.26 O ATOM 952 CB ASN A 60 13.174 4.334 4.830 1.00 19.23 C ATOM 953 CG ASN A 60 13.786 5.695 4.634 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.304 6.668 5.264 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.950 5.714 4.012 1.00 24.09 N ATOM 0 H ASN A 60 11.590 5.081 2.134 1.00 12.38 H new ATOM 0 HA ASN A 60 13.125 3.833 2.795 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.512 4.356 5.695 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.960 3.611 5.048 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.521 6.559 4.024 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.278 4.884 3.519 1.00 24.09 H new ATOM 962 N ILE A 61 10.976 1.959 2.868 1.00 11.08 N ATOM 963 CA ILE A 61 10.334 0.689 2.966 1.00 11.78 C ATOM 964 C ILE A 61 11.231 -0.330 2.490 1.00 13.74 C ATOM 965 O ILE A 61 11.941 -0.188 1.462 1.00 14.60 O ATOM 966 CB ILE A 61 8.952 0.672 2.319 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.066 1.692 3.108 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.363 -0.774 2.278 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.868 2.140 2.214 1.00 11.42 C ATOM 0 H ILE A 61 10.783 2.445 1.992 1.00 11.08 H new ATOM 0 HA ILE A 61 10.121 0.472 4.013 1.00 11.78 H new ATOM 0 HB ILE A 61 8.996 0.977 1.273 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.697 1.236 4.027 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.661 2.558 3.399 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.378 -0.753 1.811 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.024 -1.420 1.700 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.275 -1.160 3.294 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.250 2.851 2.763 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.247 2.613 1.308 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.269 1.270 1.946 1.00 11.42 H new ATOM 981 N GLN A 62 11.326 -1.441 3.184 1.00 13.97 N ATOM 982 CA GLN A 62 12.375 -2.456 3.063 1.00 15.52 C ATOM 983 C GLN A 62 11.908 -3.936 2.862 1.00 13.94 C ATOM 984 O GLN A 62 10.706 -4.223 3.083 1.00 12.15 O ATOM 985 CB GLN A 62 13.182 -2.458 4.328 1.00 19.53 C ATOM 986 CG GLN A 62 13.873 -1.078 4.632 1.00 26.38 C ATOM 987 CD GLN A 62 14.519 -1.082 6.028 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.704 -0.826 6.241 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.632 -1.208 7.082 1.00 32.71 N ATOM 0 H GLN A 62 10.636 -1.685 3.894 1.00 13.97 H new ATOM 0 HA GLN A 62 12.915 -2.168 2.161 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.534 -2.723 5.163 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.947 -3.232 4.261 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.632 -0.873 3.877 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.137 -0.277 4.570 1.00 26.38 H new ATOM 0 HE21 GLN A 62 12.651 -1.420 6.900 1.00 32.71 H new ATOM 0 HE22 GLN A 62 13.959 -1.089 8.041 1.00 32.71 H new ATOM 998 N LYS A 63 12.845 -4.806 2.449 1.00 11.73 N ATOM 999 CA LYS A 63 12.741 -6.251 2.201 1.00 11.97 C ATOM 1000 C LYS A 63 11.998 -7.114 3.310 1.00 10.41 C ATOM 1001 O LYS A 63 12.501 -7.382 4.376 1.00 9.59 O ATOM 1002 CB LYS A 63 14.097 -6.899 1.743 1.00 13.73 C ATOM 1003 CG LYS A 63 13.991 -8.259 1.007 1.00 16.98 C ATOM 1004 CD LYS A 63 15.326 -8.643 0.309 1.00 20.19 C ATOM 1005 CE LYS A 63 16.536 -8.679 1.248 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.631 -9.358 0.535 1.00 25.97 N ATOM 0 H LYS A 63 13.793 -4.478 2.262 1.00 11.73 H new ATOM 0 HA LYS A 63 12.055 -6.292 1.355 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.610 -6.194 1.088 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.727 -7.033 2.622 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.716 -9.037 1.719 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.194 -8.210 0.265 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.212 -9.622 -0.156 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.523 -7.930 -0.492 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.832 -7.669 1.531 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.291 -9.209 2.168 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.471 -9.399 1.147 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.337 -10.324 0.285 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.860 -8.831 -0.332 1.00 25.97 H new ATOM 1020 N GLU A 64 10.716 -7.518 3.017 1.00 10.04 N ATOM 1021 CA GLU A 64 9.780 -8.236 3.863 1.00 10.94 C ATOM 1022 C GLU A 64 8.972 -7.352 4.846 1.00 9.74 C ATOM 1023 O GLU A 64 8.275 -7.880 5.749 1.00 9.42 O ATOM 1024 CB GLU A 64 10.351 -9.426 4.674 1.00 18.31 C ATOM 1025 CG GLU A 64 10.782 -10.584 3.780 1.00 24.16 C ATOM 1026 CD GLU A 64 11.126 -11.794 4.637 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.204 -12.410 5.247 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.346 -12.141 4.780 1.00 31.72 O ATOM 0 H GLU A 64 10.308 -7.319 2.103 1.00 10.04 H new ATOM 0 HA GLU A 64 9.121 -8.634 3.092 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.204 -9.086 5.261 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.598 -9.776 5.380 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.982 -10.835 3.083 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.646 -10.293 3.182 1.00 24.16 H new ATOM 1035 N SER A 65 9.010 -6.031 4.720 1.00 6.85 N ATOM 1036 CA SER A 65 8.292 -5.102 5.549 1.00 6.90 C ATOM 1037 C SER A 65 6.740 -5.198 5.290 1.00 4.72 C ATOM 1038 O SER A 65 6.240 -5.495 4.192 1.00 3.91 O ATOM 1039 CB SER A 65 8.745 -3.604 5.478 1.00 7.28 C ATOM 1040 OG SER A 65 8.253 -2.830 6.565 1.00 10.56 O ATOM 0 H SER A 65 9.570 -5.570 4.003 1.00 6.85 H new ATOM 0 HA SER A 65 8.544 -5.422 6.560 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.834 -3.558 5.468 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.399 -3.168 4.541 1.00 7.28 H new ATOM 0 HG SER A 65 8.256 -1.881 6.319 1.00 10.56 H new ATOM 1046 N THR A 66 5.963 -4.954 6.358 1.00 4.48 N ATOM 1047 CA THR A 66 4.508 -5.159 6.395 1.00 3.80 C ATOM 1048 C THR A 66 3.859 -3.802 6.304 1.00 4.60 C ATOM 1049 O THR A 66 3.862 -2.960 7.241 1.00 5.33 O ATOM 1050 CB THR A 66 4.075 -5.914 7.643 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.689 -7.181 7.777 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.562 -6.134 7.741 1.00 3.40 C ATOM 0 H THR A 66 6.338 -4.601 7.238 1.00 4.48 H new ATOM 0 HA THR A 66 4.194 -5.780 5.556 1.00 3.80 H new ATOM 0 HB THR A 66 4.402 -5.254 8.447 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.371 -7.613 8.597 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.332 -6.679 8.657 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.054 -5.170 7.755 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.222 -6.711 6.881 1.00 3.40 H new ATOM 1060 N LEU A 67 3.197 -3.620 5.120 1.00 4.17 N ATOM 1061 CA LEU A 67 2.407 -2.401 4.935 1.00 3.85 C ATOM 1062 C LEU A 67 0.981 -2.695 5.498 1.00 3.80 C ATOM 1063 O LEU A 67 0.617 -3.883 5.728 1.00 5.54 O ATOM 1064 CB LEU A 67 2.266 -2.045 3.459 1.00 7.18 C ATOM 1065 CG LEU A 67 3.546 -1.704 2.651 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.105 -0.865 1.426 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.484 -0.786 3.477 1.00 11.66 C ATOM 0 H LEU A 67 3.202 -4.270 4.334 1.00 4.17 H new ATOM 0 HA LEU A 67 2.899 -1.571 5.442 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.774 -2.881 2.962 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.592 -1.191 3.387 1.00 7.18 H new ATOM 0 HG LEU A 67 4.057 -2.629 2.385 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.979 -0.604 0.830 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.411 -1.446 0.818 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.613 0.046 1.767 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.376 -0.558 2.894 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.964 0.140 3.722 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.772 -1.294 4.397 1.00 11.66 H new ATOM 1079 N HIS A 68 0.160 -1.703 5.742 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.218 -1.881 6.096 1.00 4.17 C ATOM 1081 C HIS A 68 -2.125 -1.074 5.182 1.00 5.32 C ATOM 1082 O HIS A 68 -1.726 -0.146 4.496 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.437 -1.349 7.509 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.871 -2.254 8.592 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.636 -3.182 9.265 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.368 -2.237 9.118 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.812 -3.733 10.225 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.399 -3.189 10.185 1.00 16.30 N ATOM 0 H HIS A 68 0.444 -0.724 5.697 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.451 -2.943 6.014 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.978 -0.364 7.593 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.506 -1.218 7.678 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.190 -1.617 8.793 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.112 -4.505 10.918 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.190 -3.406 10.792 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.418 -1.543 5.079 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.417 -0.941 4.169 1.00 3.97 C ATOM 1098 C LEU A 69 -5.671 -0.524 5.005 1.00 5.07 C ATOM 1099 O LEU A 69 -6.192 -1.291 5.781 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.790 -2.036 3.104 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.111 -1.845 2.317 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.064 -0.523 1.564 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.306 -3.023 1.359 1.00 9.96 C ATOM 0 H LEU A 69 -3.774 -2.332 5.619 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.031 -0.053 3.668 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.974 -2.096 2.383 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.838 -2.999 3.613 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.958 -1.818 3.003 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.993 -0.387 1.010 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.941 0.296 2.273 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.224 -0.530 0.869 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.235 -2.891 0.804 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.470 -3.067 0.661 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.353 -3.951 1.928 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.088 0.757 4.820 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.399 1.234 5.366 1.00 6.26 C ATOM 1117 C VAL A 70 -8.282 1.492 4.130 1.00 9.22 C ATOM 1118 O VAL A 70 -7.833 2.027 3.137 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.375 2.496 6.208 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.733 2.968 6.750 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.329 2.311 7.274 1.00 8.54 C ATOM 0 H VAL A 70 -5.557 1.465 4.313 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.757 0.468 6.054 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.112 3.329 5.557 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.595 3.877 7.336 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.406 3.172 5.917 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.163 2.191 7.382 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.285 3.203 7.899 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.585 1.448 7.889 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.358 2.148 6.807 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.545 1.233 4.204 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.426 1.714 3.193 1.00 16.06 C ATOM 1133 C LEU A 71 -10.898 3.156 3.494 1.00 18.09 C ATOM 1134 O LEU A 71 -11.525 3.437 4.515 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.634 0.835 2.903 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.353 -0.339 1.932 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.183 -1.217 2.435 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.521 -1.274 1.823 1.00 19.57 C ATOM 0 H LEU A 71 -9.988 0.695 4.949 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.817 1.692 2.289 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.008 0.431 3.844 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.427 1.455 2.484 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.131 0.133 0.975 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.011 -2.032 1.732 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.281 -0.610 2.515 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.431 -1.629 3.413 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -12.278 -2.081 1.132 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.745 -1.692 2.804 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -13.390 -0.729 1.454 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.538 4.076 2.613 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.000 5.455 2.761 1.00 25.83 C ATOM 1152 C ARG A 72 -11.119 6.109 1.397 1.00 27.74 C ATOM 1153 O ARG A 72 -10.191 6.118 0.563 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.981 6.213 3.655 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.448 7.535 4.314 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.746 8.709 3.415 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.986 9.853 4.266 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.173 11.105 3.834 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.370 11.405 2.555 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.107 12.051 4.736 1.00 35.02 N ATOM 0 H ARG A 72 -9.941 3.904 1.804 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.984 5.482 3.229 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.662 5.537 4.448 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.101 6.432 3.050 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.347 7.320 4.892 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.680 7.844 5.023 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.910 8.899 2.742 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.617 8.504 2.792 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.015 9.693 5.273 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.383 10.664 1.854 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.508 12.376 2.274 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.921 11.814 5.711 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.242 13.025 4.464 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.296 6.713 1.147 1.00 28.93 N ATOM 1175 CA LEU A 73 -12.483 7.486 -0.072 1.00 30.76 C ATOM 1176 C LEU A 73 -11.721 8.716 -0.328 1.00 32.18 C ATOM 1177 O LEU A 73 -11.503 9.567 0.498 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.985 7.832 -0.332 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.903 6.612 -0.480 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.353 7.144 -0.563 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.729 5.875 -1.861 1.00 29.11 C ATOM 0 H LEU A 73 -13.108 6.677 1.763 1.00 28.93 H new ATOM 0 HA LEU A 73 -12.050 6.758 -0.758 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.350 8.448 0.490 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.054 8.435 -1.237 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.675 5.944 0.350 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.042 6.306 -0.669 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.591 7.696 0.346 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.449 7.805 -1.424 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.405 5.021 -1.905 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -14.961 6.564 -2.673 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -13.700 5.529 -1.962 1.00 29.11 H new ATOM 1193 N ARG A 74 -11.236 8.888 -1.562 1.00 33.82 N ATOM 1194 CA ARG A 74 -10.543 10.127 -1.901 1.00 35.33 C ATOM 1195 C ARG A 74 -11.515 11.232 -2.346 1.00 36.22 C ATOM 1196 O ARG A 74 -12.489 11.029 -3.089 1.00 36.70 O ATOM 1197 CB ARG A 74 -9.637 9.861 -3.125 1.00 36.91 C ATOM 1198 CG ARG A 74 -8.592 11.004 -3.258 1.00 38.62 C ATOM 1199 CD ARG A 74 -7.578 10.827 -4.450 1.00 39.75 C ATOM 1200 NE ARG A 74 -8.356 10.741 -5.700 1.00 41.13 N ATOM 1201 CZ ARG A 74 -8.643 11.830 -6.420 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -8.323 13.054 -6.108 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -9.128 11.768 -7.658 1.00 41.93 N ATOM 0 H ARG A 74 -11.308 8.207 -2.318 1.00 33.82 H new ATOM 0 HA ARG A 74 -9.997 10.444 -1.012 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -9.130 8.902 -3.014 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -10.241 9.799 -4.030 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -9.120 11.949 -3.384 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -8.030 11.075 -2.327 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -6.885 11.668 -4.489 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -6.979 9.927 -4.311 1.00 39.75 H new ATOM 0 HE ARG A 74 -8.682 9.830 -6.022 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -7.808 13.243 -5.248 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -8.587 13.823 -6.724 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -9.295 10.862 -8.095 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -9.332 12.627 -8.169 1.00 41.93 H new ATOM 1217 N GLY A 75 -11.355 12.421 -1.757 1.00 36.31 N ATOM 1218 CA GLY A 75 -12.189 13.562 -1.962 1.00 36.07 C ATOM 1219 C GLY A 75 -11.396 14.696 -2.680 1.00 36.16 C ATOM 1220 O GLY A 75 -12.051 15.631 -3.172 1.00 36.26 O ATOM 0 H GLY A 75 -10.599 12.601 -1.097 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.057 13.283 -2.559 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -12.564 13.923 -1.004 1.00 36.07 H new ATOM 1224 N GLY A 76 -10.079 14.662 -2.617 1.00 36.05 N ATOM 1225 CA GLY A 76 -9.179 15.554 -3.314 1.00 36.19 C ATOM 1226 C GLY A 76 -7.723 15.111 -3.187 1.00 36.20 C ATOM 1227 O GLY A 76 -6.991 15.721 -2.396 1.00 0.00 O ATOM 1228 OXT GLY A 76 -7.195 14.244 -3.931 1.00 0.00 O ATOM 0 H GLY A 76 -9.585 13.975 -2.048 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -9.455 15.596 -4.368 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -9.287 16.563 -2.915 1.00 36.19 H new TER 1232 GLY A 76