USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 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 47 CYS SG : rot -91:sc= 0.823 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -163:sc= -0.0272 (180deg=-0.36) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc=-0.00192 K(o=-0.0019,f=-1.3) USER MOD Single : A 11 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00147) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.624 X(o=-0.62,f=-0.32) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -7:sc= -0.0171 USER MOD Single : A 30 SER OG : rot 74:sc= 0.968 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 140:sc= -2.35 USER MOD Single : A 44 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.21) USER MOD Single : A 46 ASN : amide:sc= -12.2! C(o=-12!,f=-17!) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= -3.86! (180deg=-5.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.088 -16.845 22.645 1.00 0.00 N ATOM 2 CA ARG A 1 1.149 -17.881 22.254 1.00 0.00 C ATOM 3 C ARG A 1 1.685 -18.656 21.048 1.00 0.00 C ATOM 4 O ARG A 1 1.406 -19.844 20.895 1.00 0.00 O ATOM 5 CB ARG A 1 -0.215 -17.284 21.903 1.00 0.00 C ATOM 6 CG ARG A 1 -1.310 -18.352 21.946 1.00 0.00 C ATOM 7 CD ARG A 1 -1.939 -18.549 20.566 1.00 0.00 C ATOM 8 NE ARG A 1 -2.881 -19.691 20.597 1.00 0.00 N ATOM 9 CZ ARG A 1 -3.267 -20.376 19.513 1.00 0.00 C ATOM 10 NH1 ARG A 1 -2.794 -20.042 18.305 1.00 0.00 N ATOM 11 NH2 ARG A 1 -4.126 -21.397 19.637 1.00 0.00 N ATOM 0 H1 ARG A 1 1.868 -16.523 23.609 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.056 -17.226 22.619 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.014 -16.043 21.987 1.00 0.00 H new ATOM 0 HA ARG A 1 1.030 -18.557 23.101 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -0.456 -16.483 22.602 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -0.176 -16.838 20.909 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -0.890 -19.295 22.296 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -2.079 -18.061 22.662 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -2.463 -17.643 20.264 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -1.160 -18.729 19.825 1.00 0.00 H new ATOM 0 HE ARG A 1 -3.260 -19.974 21.501 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.139 -19.266 18.210 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -3.088 -20.564 17.480 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -4.486 -21.652 20.557 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -4.420 -21.919 18.812 1.00 0.00 H new ATOM 22 N ILE A 2 2.445 -17.951 20.222 1.00 0.00 N ATOM 23 CA ILE A 2 3.022 -18.556 19.035 1.00 0.00 C ATOM 24 C ILE A 2 4.184 -19.464 19.445 1.00 0.00 C ATOM 25 O ILE A 2 4.154 -20.668 19.194 1.00 0.00 O ATOM 26 CB ILE A 2 3.411 -17.481 18.019 1.00 0.00 C ATOM 27 CG1 ILE A 2 2.183 -16.693 17.558 1.00 0.00 C ATOM 28 CG2 ILE A 2 4.177 -18.089 16.843 1.00 0.00 C ATOM 29 CD1 ILE A 2 2.593 -15.394 16.863 1.00 0.00 C ATOM 0 H ILE A 2 2.674 -16.966 20.352 1.00 0.00 H new ATOM 0 HA ILE A 2 2.287 -19.184 18.532 1.00 0.00 H new ATOM 0 HB ILE A 2 4.082 -16.775 18.509 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.590 -17.303 16.876 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.549 -16.466 18.415 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.441 -17.303 16.136 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.085 -18.568 17.209 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.551 -18.830 16.345 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.701 -14.854 16.546 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.165 -14.776 17.555 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.206 -15.625 15.992 1.00 0.00 H new ATOM 40 N TYR A 3 5.180 -18.851 20.067 1.00 0.00 N ATOM 41 CA TYR A 3 6.350 -19.588 20.514 1.00 0.00 C ATOM 42 C TYR A 3 7.235 -18.721 21.411 1.00 0.00 C ATOM 43 O TYR A 3 7.773 -19.201 22.408 1.00 0.00 O ATOM 44 CB TYR A 3 7.128 -19.952 19.247 1.00 0.00 C ATOM 45 CG TYR A 3 7.598 -21.407 19.203 1.00 0.00 C ATOM 46 CD1 TYR A 3 8.508 -21.867 20.133 1.00 0.00 C ATOM 47 CD2 TYR A 3 7.113 -22.260 18.232 1.00 0.00 C ATOM 48 CE1 TYR A 3 8.952 -23.237 20.091 1.00 0.00 C ATOM 49 CE2 TYR A 3 7.556 -23.629 18.190 1.00 0.00 C ATOM 50 CZ TYR A 3 8.453 -24.051 19.122 1.00 0.00 C ATOM 51 OH TYR A 3 8.872 -25.344 19.082 1.00 0.00 O ATOM 0 H TYR A 3 5.201 -17.852 20.272 1.00 0.00 H new ATOM 0 HA TYR A 3 6.054 -20.465 21.090 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.499 -19.757 18.378 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.996 -19.298 19.165 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.888 -21.200 20.893 1.00 0.00 H new ATOM 0 HD2 TYR A 3 6.401 -21.900 17.504 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.665 -23.609 20.812 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.185 -24.306 17.435 1.00 0.00 H new ATOM 0 HH TYR A 3 8.432 -25.808 18.339 1.00 0.00 H new ATOM 60 N LYS A 4 7.360 -17.460 21.024 1.00 0.00 N ATOM 61 CA LYS A 4 8.171 -16.522 21.780 1.00 0.00 C ATOM 62 C LYS A 4 7.260 -15.658 22.655 1.00 0.00 C ATOM 63 O LYS A 4 6.283 -16.150 23.216 1.00 0.00 O ATOM 64 CB LYS A 4 9.070 -15.713 20.843 1.00 0.00 C ATOM 65 CG LYS A 4 8.246 -14.746 19.990 1.00 0.00 C ATOM 66 CD LYS A 4 8.173 -15.222 18.538 1.00 0.00 C ATOM 67 CE LYS A 4 6.940 -14.652 17.835 1.00 0.00 C ATOM 68 NZ LYS A 4 7.264 -13.365 17.179 1.00 0.00 N ATOM 0 H LYS A 4 6.913 -17.066 20.196 1.00 0.00 H new ATOM 0 HA LYS A 4 8.846 -17.056 22.449 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.801 -15.155 21.427 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.628 -16.389 20.196 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.240 -14.661 20.400 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.691 -13.752 20.029 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.073 -14.916 18.006 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.141 -16.311 18.510 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.576 -15.363 17.093 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.137 -14.506 18.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.415 -12.993 16.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.590 -12.683 17.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.015 -13.514 16.475 1.00 0.00 H new ATOM 78 N GLY A 5 7.613 -14.384 22.744 1.00 0.00 N ATOM 79 CA GLY A 5 6.841 -13.446 23.541 1.00 0.00 C ATOM 80 C GLY A 5 7.649 -12.953 24.743 1.00 0.00 C ATOM 81 O GLY A 5 7.314 -11.933 25.343 1.00 0.00 O ATOM 0 H GLY A 5 8.424 -13.979 22.277 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.545 -12.597 22.925 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.924 -13.925 23.886 1.00 0.00 H new ATOM 85 N VAL A 6 8.698 -13.698 25.057 1.00 0.00 N ATOM 86 CA VAL A 6 9.556 -13.348 26.177 1.00 0.00 C ATOM 87 C VAL A 6 10.868 -12.768 25.645 1.00 0.00 C ATOM 88 O VAL A 6 11.381 -11.787 26.183 1.00 0.00 O ATOM 89 CB VAL A 6 9.763 -14.567 27.078 1.00 0.00 C ATOM 90 CG1 VAL A 6 10.681 -14.229 28.254 1.00 0.00 C ATOM 91 CG2 VAL A 6 8.423 -15.119 27.569 1.00 0.00 C ATOM 0 H VAL A 6 8.974 -14.543 24.556 1.00 0.00 H new ATOM 0 HA VAL A 6 9.087 -12.581 26.793 1.00 0.00 H new ATOM 0 HB VAL A 6 10.248 -15.343 26.486 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.812 -15.112 28.879 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.651 -13.904 27.877 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.235 -13.429 28.845 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.598 -15.985 28.207 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.899 -14.350 28.136 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.816 -15.416 26.713 1.00 0.00 H new ATOM 101 N ILE A 7 11.374 -13.399 24.596 1.00 0.00 N ATOM 102 CA ILE A 7 12.617 -12.957 23.986 1.00 0.00 C ATOM 103 C ILE A 7 12.419 -11.564 23.384 1.00 0.00 C ATOM 104 O ILE A 7 13.377 -10.807 23.234 1.00 0.00 O ATOM 105 CB ILE A 7 13.119 -13.995 22.979 1.00 0.00 C ATOM 106 CG1 ILE A 7 13.272 -15.367 23.637 1.00 0.00 C ATOM 107 CG2 ILE A 7 14.415 -13.531 22.312 1.00 0.00 C ATOM 108 CD1 ILE A 7 14.020 -15.257 24.968 1.00 0.00 C ATOM 0 H ILE A 7 10.947 -14.212 24.153 1.00 0.00 H new ATOM 0 HA ILE A 7 13.400 -12.871 24.739 1.00 0.00 H new ATOM 0 HB ILE A 7 12.372 -14.097 22.192 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.288 -15.806 23.804 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.811 -16.037 22.967 1.00 0.00 H new ATOM 0 HG21 ILE A 7 14.749 -14.287 21.602 1.00 0.00 H new ATOM 0 HG22 ILE A 7 14.238 -12.592 21.787 1.00 0.00 H new ATOM 0 HG23 ILE A 7 15.182 -13.382 23.072 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.115 -16.247 25.415 1.00 0.00 H new ATOM 0 HD12 ILE A 7 15.012 -14.840 24.794 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.466 -14.605 25.644 1.00 0.00 H new ATOM 119 N GLN A 8 11.170 -11.268 23.057 1.00 0.00 N ATOM 120 CA GLN A 8 10.833 -9.979 22.476 1.00 0.00 C ATOM 121 C GLN A 8 10.878 -8.887 23.547 1.00 0.00 C ATOM 122 O GLN A 8 11.501 -7.846 23.350 1.00 0.00 O ATOM 123 CB GLN A 8 9.464 -10.026 21.795 1.00 0.00 C ATOM 124 CG GLN A 8 9.407 -9.057 20.612 1.00 0.00 C ATOM 125 CD GLN A 8 7.977 -8.911 20.091 1.00 0.00 C ATOM 126 OE1 GLN A 8 7.006 -9.162 20.787 1.00 0.00 O ATOM 127 NE2 GLN A 8 7.899 -8.493 18.831 1.00 0.00 N ATOM 0 H GLN A 8 10.378 -11.899 23.183 1.00 0.00 H new ATOM 0 HA GLN A 8 11.573 -9.741 21.712 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.260 -11.040 21.450 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.686 -9.772 22.515 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.788 -8.082 20.917 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.054 -9.416 19.812 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.751 -8.301 18.304 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.987 -8.365 18.392 1.00 0.00 H new ATOM 134 N ALA A 9 10.207 -9.163 24.655 1.00 0.00 N ATOM 135 CA ALA A 9 10.161 -8.216 25.756 1.00 0.00 C ATOM 136 C ALA A 9 11.562 -8.066 26.353 1.00 0.00 C ATOM 137 O ALA A 9 12.046 -6.950 26.533 1.00 0.00 O ATOM 138 CB ALA A 9 9.135 -8.685 26.791 1.00 0.00 C ATOM 0 H ALA A 9 9.691 -10.028 24.814 1.00 0.00 H new ATOM 0 HA ALA A 9 9.845 -7.234 25.404 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.101 -7.975 27.617 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.151 -8.748 26.326 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.422 -9.667 27.168 1.00 0.00 H new ATOM 144 N ILE A 10 12.174 -9.205 26.640 1.00 0.00 N ATOM 145 CA ILE A 10 13.510 -9.214 27.212 1.00 0.00 C ATOM 146 C ILE A 10 14.454 -8.426 26.301 1.00 0.00 C ATOM 147 O ILE A 10 15.489 -7.936 26.751 1.00 0.00 O ATOM 148 CB ILE A 10 13.968 -10.648 27.480 1.00 0.00 C ATOM 149 CG1 ILE A 10 13.055 -11.335 28.497 1.00 0.00 C ATOM 150 CG2 ILE A 10 15.436 -10.683 27.911 1.00 0.00 C ATOM 151 CD1 ILE A 10 13.305 -10.798 29.908 1.00 0.00 C ATOM 0 H ILE A 10 11.769 -10.129 26.487 1.00 0.00 H new ATOM 0 HA ILE A 10 13.513 -8.717 28.182 1.00 0.00 H new ATOM 0 HB ILE A 10 13.892 -11.210 26.549 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.013 -11.174 28.222 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.228 -12.411 28.478 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.737 -11.714 28.095 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.057 -10.260 27.122 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.561 -10.100 28.823 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.643 -11.303 30.612 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.342 -10.982 30.189 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.108 -9.726 29.930 1.00 0.00 H new ATOM 162 N GLN A 11 14.064 -8.330 25.039 1.00 0.00 N ATOM 163 CA GLN A 11 14.863 -7.610 24.062 1.00 0.00 C ATOM 164 C GLN A 11 14.917 -6.121 24.413 1.00 0.00 C ATOM 165 O GLN A 11 15.983 -5.510 24.378 1.00 0.00 O ATOM 166 CB GLN A 11 14.319 -7.820 22.647 1.00 0.00 C ATOM 167 CG GLN A 11 15.411 -8.345 21.712 1.00 0.00 C ATOM 168 CD GLN A 11 15.036 -8.113 20.247 1.00 0.00 C ATOM 169 OE1 GLN A 11 14.002 -8.550 19.768 1.00 0.00 O ATOM 170 NE2 GLN A 11 15.932 -7.407 19.565 1.00 0.00 N ATOM 0 H GLN A 11 13.205 -8.739 24.670 1.00 0.00 H new ATOM 0 HA GLN A 11 15.878 -8.007 24.089 1.00 0.00 H new ATOM 0 HB2 GLN A 11 13.488 -8.525 22.674 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.926 -6.879 22.261 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.355 -7.846 21.933 1.00 0.00 H new ATOM 0 HG3 GLN A 11 15.564 -9.410 21.888 1.00 0.00 H new ATOM 0 HE21 GLN A 11 16.777 -7.071 20.028 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.775 -7.201 18.578 1.00 0.00 H new ATOM 177 N LYS A 12 13.753 -5.581 24.743 1.00 0.00 N ATOM 178 CA LYS A 12 13.655 -4.176 25.100 1.00 0.00 C ATOM 179 C LYS A 12 14.041 -3.999 26.569 1.00 0.00 C ATOM 180 O LYS A 12 14.934 -3.217 26.890 1.00 0.00 O ATOM 181 CB LYS A 12 12.264 -3.633 24.760 1.00 0.00 C ATOM 182 CG LYS A 12 12.109 -3.430 23.252 1.00 0.00 C ATOM 183 CD LYS A 12 11.377 -4.612 22.612 1.00 0.00 C ATOM 184 CE LYS A 12 9.975 -4.206 22.154 1.00 0.00 C ATOM 185 NZ LYS A 12 9.106 -3.936 23.321 1.00 0.00 N ATOM 0 H LYS A 12 12.870 -6.091 24.771 1.00 0.00 H new ATOM 0 HA LYS A 12 14.356 -3.584 24.512 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.502 -4.325 25.118 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.103 -2.687 25.277 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.558 -2.509 23.060 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.091 -3.315 22.794 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.949 -4.981 21.761 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.307 -5.431 23.327 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.035 -3.318 21.525 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.541 -4.999 21.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.154 -3.678 22.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.049 -4.787 23.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.504 -3.152 23.876 1.00 0.00 H new ATOM 195 N SER A 13 13.350 -4.739 27.424 1.00 0.00 N ATOM 196 CA SER A 13 13.610 -4.675 28.852 1.00 0.00 C ATOM 197 C SER A 13 15.114 -4.770 29.114 1.00 0.00 C ATOM 198 O SER A 13 15.599 -4.306 30.146 1.00 0.00 O ATOM 199 CB SER A 13 12.869 -5.787 29.597 1.00 0.00 C ATOM 200 OG SER A 13 13.366 -5.963 30.922 1.00 0.00 O ATOM 0 H SER A 13 12.610 -5.387 27.155 1.00 0.00 H new ATOM 0 HA SER A 13 13.243 -3.719 29.225 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.806 -5.551 29.637 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.968 -6.722 29.045 1.00 0.00 H new ATOM 0 HG SER A 13 12.867 -6.680 31.366 1.00 0.00 H new ATOM 205 N ASP A 14 15.811 -5.374 28.163 1.00 0.00 N ATOM 206 CA ASP A 14 17.251 -5.536 28.279 1.00 0.00 C ATOM 207 C ASP A 14 17.920 -4.161 28.237 1.00 0.00 C ATOM 208 O ASP A 14 18.891 -3.916 28.951 1.00 0.00 O ATOM 209 CB ASP A 14 17.806 -6.368 27.122 1.00 0.00 C ATOM 210 CG ASP A 14 19.318 -6.257 26.913 1.00 0.00 C ATOM 211 OD1 ASP A 14 20.026 -6.148 27.937 1.00 0.00 O ATOM 212 OD2 ASP A 14 19.731 -6.284 25.733 1.00 0.00 O ATOM 0 H ASP A 14 15.406 -5.757 27.309 1.00 0.00 H new ATOM 0 HA ASP A 14 17.458 -6.044 29.221 1.00 0.00 H new ATOM 0 HB2 ASP A 14 17.554 -7.415 27.293 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.304 -6.065 26.203 1.00 0.00 H new ATOM 216 N GLU A 15 17.374 -3.299 27.392 1.00 0.00 N ATOM 217 CA GLU A 15 17.905 -1.954 27.246 1.00 0.00 C ATOM 218 C GLU A 15 17.063 -0.960 28.049 1.00 0.00 C ATOM 219 O GLU A 15 17.577 0.047 28.532 1.00 0.00 O ATOM 220 CB GLU A 15 17.976 -1.549 25.773 1.00 0.00 C ATOM 221 CG GLU A 15 19.028 -2.373 25.027 1.00 0.00 C ATOM 222 CD GLU A 15 19.312 -1.778 23.646 1.00 0.00 C ATOM 223 OE1 GLU A 15 18.570 -2.143 22.708 1.00 0.00 O ATOM 224 OE2 GLU A 15 20.264 -0.974 23.559 1.00 0.00 O ATOM 0 H GLU A 15 16.569 -3.506 26.801 1.00 0.00 H new ATOM 0 HA GLU A 15 18.921 -1.941 27.641 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.001 -1.689 25.306 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.217 -0.489 25.695 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.949 -2.406 25.609 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.681 -3.401 24.920 1.00 0.00 H new ATOM 229 N GLY A 16 15.782 -1.279 28.166 1.00 0.00 N ATOM 230 CA GLY A 16 14.863 -0.427 28.900 1.00 0.00 C ATOM 231 C GLY A 16 13.563 -0.220 28.120 1.00 0.00 C ATOM 232 O GLY A 16 12.541 -0.825 28.438 1.00 0.00 O ATOM 0 H GLY A 16 15.359 -2.116 27.764 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.642 -0.875 29.869 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.332 0.538 29.094 1.00 0.00 H new ATOM 236 N HIS A 17 13.646 0.637 27.113 1.00 0.00 N ATOM 237 CA HIS A 17 12.489 0.932 26.285 1.00 0.00 C ATOM 238 C HIS A 17 12.842 2.033 25.283 1.00 0.00 C ATOM 239 O HIS A 17 12.805 3.217 25.615 1.00 0.00 O ATOM 240 CB HIS A 17 11.277 1.285 27.150 1.00 0.00 C ATOM 241 CG HIS A 17 10.034 0.495 26.817 1.00 0.00 C ATOM 242 ND1 HIS A 17 8.774 0.857 27.260 1.00 0.00 N ATOM 243 CD2 HIS A 17 9.871 -0.640 26.076 1.00 0.00 C ATOM 244 CE1 HIS A 17 7.900 -0.028 26.804 1.00 0.00 C ATOM 245 NE2 HIS A 17 8.581 -0.955 26.071 1.00 0.00 N ATOM 0 H HIS A 17 14.496 1.136 26.852 1.00 0.00 H new ATOM 0 HA HIS A 17 12.210 0.046 25.715 1.00 0.00 H new ATOM 0 HB2 HIS A 17 11.530 1.120 28.197 1.00 0.00 H new ATOM 0 HB3 HIS A 17 11.061 2.347 27.038 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.657 -1.188 25.579 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.835 -0.017 26.982 1.00 0.00 H new ATOM 0 HE2 HIS A 17 8.167 -1.758 25.597 1.00 0.00 H new ATOM 253 N PRO A 18 13.187 1.593 24.043 1.00 0.00 N ATOM 254 CA PRO A 18 13.546 2.527 22.990 1.00 0.00 C ATOM 255 C PRO A 18 12.306 3.230 22.433 1.00 0.00 C ATOM 256 O PRO A 18 11.213 2.668 22.445 1.00 0.00 O ATOM 257 CB PRO A 18 14.270 1.688 21.950 1.00 0.00 C ATOM 258 CG PRO A 18 13.883 0.245 22.235 1.00 0.00 C ATOM 259 CD PRO A 18 13.242 0.198 23.613 1.00 0.00 C ATOM 0 HA PRO A 18 14.185 3.336 23.345 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.977 1.979 20.941 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.349 1.824 22.021 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.189 -0.121 21.478 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.761 -0.400 22.200 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.246 -0.243 23.572 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.830 -0.406 24.303 1.00 0.00 H new ATOM 264 N PHE A 19 12.520 4.449 21.959 1.00 0.00 N ATOM 265 CA PHE A 19 11.433 5.235 21.400 1.00 0.00 C ATOM 266 C PHE A 19 10.753 4.489 20.249 1.00 0.00 C ATOM 267 O PHE A 19 9.627 4.812 19.875 1.00 0.00 O ATOM 268 CB PHE A 19 12.048 6.528 20.861 1.00 0.00 C ATOM 269 CG PHE A 19 12.184 7.635 21.908 1.00 0.00 C ATOM 270 CD1 PHE A 19 13.084 7.507 22.919 1.00 0.00 C ATOM 271 CD2 PHE A 19 11.406 8.747 21.827 1.00 0.00 C ATOM 272 CE1 PHE A 19 13.211 8.535 23.892 1.00 0.00 C ATOM 273 CE2 PHE A 19 11.533 9.774 22.799 1.00 0.00 C ATOM 274 CZ PHE A 19 12.432 9.647 23.811 1.00 0.00 C ATOM 0 H PHE A 19 13.429 4.911 21.951 1.00 0.00 H new ATOM 0 HA PHE A 19 10.682 5.430 22.166 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.033 6.306 20.451 1.00 0.00 H new ATOM 0 HB3 PHE A 19 11.435 6.894 20.037 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.703 6.624 22.983 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.692 8.849 21.024 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.926 8.433 24.695 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.915 10.657 22.734 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.528 10.429 24.550 1.00 0.00 H new ATOM 283 N ARG A 20 11.467 3.505 19.721 1.00 0.00 N ATOM 284 CA ARG A 20 10.947 2.712 18.620 1.00 0.00 C ATOM 285 C ARG A 20 9.903 1.717 19.131 1.00 0.00 C ATOM 286 O ARG A 20 8.874 1.508 18.490 1.00 0.00 O ATOM 287 CB ARG A 20 12.067 1.946 17.915 1.00 0.00 C ATOM 288 CG ARG A 20 11.609 1.438 16.546 1.00 0.00 C ATOM 289 CD ARG A 20 12.799 1.250 15.604 1.00 0.00 C ATOM 290 NE ARG A 20 12.360 0.576 14.362 1.00 0.00 N ATOM 291 CZ ARG A 20 11.761 1.201 13.338 1.00 0.00 C ATOM 292 NH1 ARG A 20 11.529 2.519 13.402 1.00 0.00 N ATOM 293 NH2 ARG A 20 11.397 0.508 12.251 1.00 0.00 N ATOM 0 H ARG A 20 12.400 3.239 20.035 1.00 0.00 H new ATOM 0 HA ARG A 20 10.486 3.396 17.908 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.935 2.594 17.794 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.381 1.104 18.532 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.081 0.492 16.664 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.903 2.145 16.109 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.241 2.217 15.366 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.572 0.659 16.095 1.00 0.00 H new ATOM 0 HE ARG A 20 12.523 -0.427 14.280 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.808 3.046 14.229 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.073 2.995 12.623 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.575 -0.495 12.202 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.941 0.983 11.472 1.00 0.00 H new ATOM 304 N ALA A 21 10.203 1.130 20.280 1.00 0.00 N ATOM 305 CA ALA A 21 9.302 0.162 20.884 1.00 0.00 C ATOM 306 C ALA A 21 7.985 0.853 21.242 1.00 0.00 C ATOM 307 O ALA A 21 6.941 0.206 21.313 1.00 0.00 O ATOM 308 CB ALA A 21 9.978 -0.473 22.101 1.00 0.00 C ATOM 0 H ALA A 21 11.057 1.306 20.809 1.00 0.00 H new ATOM 0 HA ALA A 21 9.073 -0.640 20.183 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.303 -1.199 22.555 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.894 -0.975 21.788 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.219 0.302 22.829 1.00 0.00 H new ATOM 314 N TYR A 22 8.077 2.156 21.460 1.00 0.00 N ATOM 315 CA TYR A 22 6.905 2.941 21.809 1.00 0.00 C ATOM 316 C TYR A 22 5.951 3.062 20.619 1.00 0.00 C ATOM 317 O TYR A 22 4.733 3.050 20.791 1.00 0.00 O ATOM 318 CB TYR A 22 7.423 4.333 22.175 1.00 0.00 C ATOM 319 CG TYR A 22 7.632 4.544 23.676 1.00 0.00 C ATOM 320 CD1 TYR A 22 8.690 3.934 24.318 1.00 0.00 C ATOM 321 CD2 TYR A 22 6.763 5.347 24.387 1.00 0.00 C ATOM 322 CE1 TYR A 22 8.886 4.133 25.730 1.00 0.00 C ATOM 323 CE2 TYR A 22 6.960 5.546 25.799 1.00 0.00 C ATOM 324 CZ TYR A 22 8.012 4.928 26.402 1.00 0.00 C ATOM 325 OH TYR A 22 8.198 5.117 27.736 1.00 0.00 O ATOM 0 H TYR A 22 8.945 2.688 21.402 1.00 0.00 H new ATOM 0 HA TYR A 22 6.358 2.470 22.626 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.368 4.505 21.659 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.719 5.080 21.808 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.371 3.307 23.761 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.936 5.826 23.884 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.710 3.661 26.244 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.288 6.172 26.367 1.00 0.00 H new ATOM 0 HH TYR A 22 7.498 5.709 28.083 1.00 0.00 H new ATOM 334 N LEU A 23 6.540 3.173 19.437 1.00 0.00 N ATOM 335 CA LEU A 23 5.758 3.297 18.219 1.00 0.00 C ATOM 336 C LEU A 23 5.281 1.909 17.783 1.00 0.00 C ATOM 337 O LEU A 23 4.128 1.741 17.389 1.00 0.00 O ATOM 338 CB LEU A 23 6.554 4.040 17.144 1.00 0.00 C ATOM 339 CG LEU A 23 5.895 5.296 16.570 1.00 0.00 C ATOM 340 CD1 LEU A 23 4.541 4.965 15.942 1.00 0.00 C ATOM 341 CD2 LEU A 23 5.783 6.390 17.633 1.00 0.00 C ATOM 0 H LEU A 23 7.550 3.180 19.297 1.00 0.00 H new ATOM 0 HA LEU A 23 4.868 3.900 18.396 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.520 4.320 17.564 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.751 3.350 16.324 1.00 0.00 H new ATOM 0 HG LEU A 23 6.532 5.684 15.775 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.094 5.875 15.542 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.680 4.244 15.136 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.883 4.540 16.700 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.311 7.272 17.199 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.180 6.028 18.465 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.778 6.651 17.993 1.00 0.00 H new ATOM 352 N GLU A 24 6.193 0.952 17.869 1.00 0.00 N ATOM 353 CA GLU A 24 5.879 -0.415 17.487 1.00 0.00 C ATOM 354 C GLU A 24 4.819 -0.998 18.424 1.00 0.00 C ATOM 355 O GLU A 24 4.050 -1.872 18.029 1.00 0.00 O ATOM 356 CB GLU A 24 7.139 -1.284 17.476 1.00 0.00 C ATOM 357 CG GLU A 24 7.228 -2.104 16.188 1.00 0.00 C ATOM 358 CD GLU A 24 7.269 -3.603 16.494 1.00 0.00 C ATOM 359 OE1 GLU A 24 8.357 -4.072 16.892 1.00 0.00 O ATOM 360 OE2 GLU A 24 6.211 -4.246 16.324 1.00 0.00 O ATOM 0 H GLU A 24 7.148 1.095 18.197 1.00 0.00 H new ATOM 0 HA GLU A 24 5.475 -0.405 16.475 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.022 -0.652 17.571 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.132 -1.952 18.337 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.371 -1.882 15.552 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.121 -1.818 15.632 1.00 0.00 H new ATOM 365 N SER A 25 4.814 -0.490 19.648 1.00 0.00 N ATOM 366 CA SER A 25 3.861 -0.950 20.645 1.00 0.00 C ATOM 367 C SER A 25 2.442 -0.555 20.232 1.00 0.00 C ATOM 368 O SER A 25 1.501 -1.327 20.415 1.00 0.00 O ATOM 369 CB SER A 25 4.191 -0.379 22.025 1.00 0.00 C ATOM 370 OG SER A 25 4.259 1.045 22.012 1.00 0.00 O ATOM 0 H SER A 25 5.454 0.235 19.972 1.00 0.00 H new ATOM 0 HA SER A 25 3.926 -2.036 20.706 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.433 -0.699 22.740 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.143 -0.784 22.367 1.00 0.00 H new ATOM 0 HG SER A 25 4.186 1.368 21.090 1.00 0.00 H new ATOM 375 N GLU A 26 2.331 0.646 19.683 1.00 0.00 N ATOM 376 CA GLU A 26 1.042 1.152 19.243 1.00 0.00 C ATOM 377 C GLU A 26 0.359 0.137 18.324 1.00 0.00 C ATOM 378 O GLU A 26 -0.861 0.158 18.168 1.00 0.00 O ATOM 379 CB GLU A 26 1.193 2.506 18.548 1.00 0.00 C ATOM 380 CG GLU A 26 -0.059 3.365 18.743 1.00 0.00 C ATOM 381 CD GLU A 26 0.258 4.848 18.541 1.00 0.00 C ATOM 382 OE1 GLU A 26 0.689 5.189 17.418 1.00 0.00 O ATOM 383 OE2 GLU A 26 0.060 5.608 19.514 1.00 0.00 O ATOM 0 H GLU A 26 3.113 1.283 19.533 1.00 0.00 H new ATOM 0 HA GLU A 26 0.413 1.299 20.121 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.063 3.028 18.947 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.372 2.355 17.484 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.831 3.055 18.038 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.460 3.208 19.744 1.00 0.00 H new ATOM 388 N VAL A 27 1.176 -0.727 17.739 1.00 0.00 N ATOM 389 CA VAL A 27 0.666 -1.748 16.840 1.00 0.00 C ATOM 390 C VAL A 27 0.127 -2.921 17.660 1.00 0.00 C ATOM 391 O VAL A 27 -1.027 -3.317 17.501 1.00 0.00 O ATOM 392 CB VAL A 27 1.754 -2.162 15.847 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.330 -3.399 15.052 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.112 -1.005 14.911 1.00 0.00 C ATOM 0 H VAL A 27 2.187 -0.741 17.870 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.162 -1.357 16.249 1.00 0.00 H new ATOM 0 HB VAL A 27 2.646 -2.420 16.417 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.121 -3.672 14.354 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.149 -4.227 15.737 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.417 -3.180 14.498 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.887 -1.326 14.216 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.227 -0.702 14.352 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.477 -0.162 15.498 1.00 0.00 H new ATOM 404 N ALA A 28 0.988 -3.446 18.519 1.00 0.00 N ATOM 405 CA ALA A 28 0.613 -4.566 19.365 1.00 0.00 C ATOM 406 C ALA A 28 -0.508 -4.132 20.311 1.00 0.00 C ATOM 407 O ALA A 28 -1.333 -4.950 20.718 1.00 0.00 O ATOM 408 CB ALA A 28 1.845 -5.075 20.115 1.00 0.00 C ATOM 0 H ALA A 28 1.945 -3.116 18.647 1.00 0.00 H new ATOM 0 HA ALA A 28 0.235 -5.392 18.763 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.563 -5.915 20.750 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.599 -5.399 19.398 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.252 -4.274 20.733 1.00 0.00 H new ATOM 414 N ILE A 29 -0.501 -2.848 20.635 1.00 0.00 N ATOM 415 CA ILE A 29 -1.508 -2.296 21.526 1.00 0.00 C ATOM 416 C ILE A 29 -2.820 -2.119 20.760 1.00 0.00 C ATOM 417 O ILE A 29 -3.857 -2.640 21.169 1.00 0.00 O ATOM 418 CB ILE A 29 -0.998 -1.008 22.178 1.00 0.00 C ATOM 419 CG1 ILE A 29 -0.243 -1.312 23.474 1.00 0.00 C ATOM 420 CG2 ILE A 29 -2.141 -0.016 22.400 1.00 0.00 C ATOM 421 CD1 ILE A 29 0.782 -2.428 23.263 1.00 0.00 C ATOM 0 H ILE A 29 0.186 -2.174 20.297 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.709 -2.985 22.347 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.291 -0.536 21.496 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.261 -0.412 23.825 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.950 -1.605 24.251 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.751 0.890 22.864 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.597 0.234 21.442 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.890 -0.464 23.052 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.304 -2.624 24.199 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.272 -3.334 22.936 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.501 -2.122 22.503 1.00 0.00 H new ATOM 432 N SER A 30 -2.732 -1.382 19.662 1.00 0.00 N ATOM 433 CA SER A 30 -3.900 -1.130 18.835 1.00 0.00 C ATOM 434 C SER A 30 -4.403 -2.440 18.226 1.00 0.00 C ATOM 435 O SER A 30 -5.586 -2.572 17.919 1.00 0.00 O ATOM 436 CB SER A 30 -3.585 -0.119 17.731 1.00 0.00 C ATOM 437 OG SER A 30 -3.071 1.102 18.257 1.00 0.00 O ATOM 0 H SER A 30 -1.870 -0.952 19.326 1.00 0.00 H new ATOM 0 HA SER A 30 -4.681 -0.707 19.467 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.860 -0.550 17.041 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.489 0.085 17.157 1.00 0.00 H new ATOM 0 HG SER A 30 -2.149 0.965 18.560 1.00 0.00 H new ATOM 442 N GLU A 31 -3.478 -3.376 18.071 1.00 0.00 N ATOM 443 CA GLU A 31 -3.813 -4.672 17.504 1.00 0.00 C ATOM 444 C GLU A 31 -4.837 -5.388 18.387 1.00 0.00 C ATOM 445 O GLU A 31 -5.587 -6.239 17.909 1.00 0.00 O ATOM 446 CB GLU A 31 -2.559 -5.527 17.313 1.00 0.00 C ATOM 447 CG GLU A 31 -2.926 -6.956 16.903 1.00 0.00 C ATOM 448 CD GLU A 31 -1.707 -7.877 16.973 1.00 0.00 C ATOM 449 OE1 GLU A 31 -0.997 -7.801 18.000 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.512 -8.637 16.000 1.00 0.00 O ATOM 0 H GLU A 31 -2.497 -3.263 18.328 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.257 -4.514 16.521 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.922 -5.079 16.551 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.984 -5.547 18.239 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.711 -7.336 17.557 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.328 -6.955 15.890 1.00 0.00 H new ATOM 455 N GLU A 32 -4.835 -5.020 19.660 1.00 0.00 N ATOM 456 CA GLU A 32 -5.754 -5.617 20.613 1.00 0.00 C ATOM 457 C GLU A 32 -7.116 -4.923 20.544 1.00 0.00 C ATOM 458 O GLU A 32 -8.133 -5.506 20.915 1.00 0.00 O ATOM 459 CB GLU A 32 -5.184 -5.563 22.032 1.00 0.00 C ATOM 460 CG GLU A 32 -4.328 -6.798 22.325 1.00 0.00 C ATOM 461 CD GLU A 32 -3.120 -6.435 23.191 1.00 0.00 C ATOM 462 OE1 GLU A 32 -3.355 -5.922 24.306 1.00 0.00 O ATOM 463 OE2 GLU A 32 -1.989 -6.679 22.718 1.00 0.00 O ATOM 0 H GLU A 32 -4.211 -4.315 20.053 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.888 -6.666 20.349 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.583 -4.662 22.152 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.999 -5.501 22.753 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.931 -7.551 22.833 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.989 -7.240 21.388 1.00 0.00 H new ATOM 468 N LEU A 33 -7.091 -3.687 20.065 1.00 0.00 N ATOM 469 CA LEU A 33 -8.311 -2.908 19.942 1.00 0.00 C ATOM 470 C LEU A 33 -9.241 -3.581 18.932 1.00 0.00 C ATOM 471 O LEU A 33 -10.425 -3.775 19.205 1.00 0.00 O ATOM 472 CB LEU A 33 -7.985 -1.452 19.603 1.00 0.00 C ATOM 473 CG LEU A 33 -7.761 -0.520 20.795 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.081 -0.212 21.506 1.00 0.00 C ATOM 475 CD2 LEU A 33 -6.715 -1.095 21.752 1.00 0.00 C ATOM 0 H LEU A 33 -6.245 -3.207 19.758 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.842 -2.878 20.894 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.090 -1.436 18.981 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.799 -1.049 19.000 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.369 0.425 20.420 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.894 0.452 22.350 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.766 0.271 20.809 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.525 -1.140 21.867 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.575 -0.413 22.590 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.054 -2.062 22.124 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.769 -1.221 21.225 1.00 0.00 H new ATOM 486 N VAL A 34 -8.672 -3.919 17.784 1.00 0.00 N ATOM 487 CA VAL A 34 -9.436 -4.566 16.731 1.00 0.00 C ATOM 488 C VAL A 34 -9.982 -5.898 17.248 1.00 0.00 C ATOM 489 O VAL A 34 -10.929 -6.445 16.685 1.00 0.00 O ATOM 490 CB VAL A 34 -8.572 -4.720 15.477 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.923 -3.389 15.093 1.00 0.00 C ATOM 492 CG2 VAL A 34 -7.516 -5.810 15.669 1.00 0.00 C ATOM 0 H VAL A 34 -7.690 -3.757 17.560 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.291 -3.953 16.447 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.222 -5.025 14.657 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.314 -3.525 14.199 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.699 -2.650 14.894 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.292 -3.042 15.912 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.916 -5.899 14.763 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.871 -5.548 16.508 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.008 -6.761 15.873 1.00 0.00 H new ATOM 502 N GLN A 35 -9.361 -6.381 18.314 1.00 0.00 N ATOM 503 CA GLN A 35 -9.773 -7.639 18.913 1.00 0.00 C ATOM 504 C GLN A 35 -11.005 -7.428 19.796 1.00 0.00 C ATOM 505 O GLN A 35 -11.692 -8.386 20.150 1.00 0.00 O ATOM 506 CB GLN A 35 -8.628 -8.268 19.710 1.00 0.00 C ATOM 507 CG GLN A 35 -7.906 -9.334 18.884 1.00 0.00 C ATOM 508 CD GLN A 35 -7.035 -10.222 19.776 1.00 0.00 C ATOM 509 OE1 GLN A 35 -7.486 -11.199 20.353 1.00 0.00 O ATOM 510 NE2 GLN A 35 -5.767 -9.831 19.857 1.00 0.00 N ATOM 0 H GLN A 35 -8.576 -5.924 18.778 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.038 -8.331 18.113 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.921 -7.494 20.010 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.019 -8.714 20.624 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.637 -9.947 18.357 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.286 -8.854 18.126 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.455 -9.004 19.348 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.106 -10.358 20.428 1.00 0.00 H new ATOM 517 N LYS A 36 -11.247 -6.169 20.127 1.00 0.00 N ATOM 518 CA LYS A 36 -12.384 -5.820 20.962 1.00 0.00 C ATOM 519 C LYS A 36 -13.649 -5.782 20.104 1.00 0.00 C ATOM 520 O LYS A 36 -14.749 -6.014 20.603 1.00 0.00 O ATOM 521 CB LYS A 36 -12.114 -4.516 21.718 1.00 0.00 C ATOM 522 CG LYS A 36 -12.479 -4.655 23.197 1.00 0.00 C ATOM 523 CD LYS A 36 -11.223 -4.779 24.062 1.00 0.00 C ATOM 524 CE LYS A 36 -11.359 -3.959 25.346 1.00 0.00 C ATOM 525 NZ LYS A 36 -10.095 -3.987 26.116 1.00 0.00 N ATOM 0 H LYS A 36 -10.675 -5.377 19.832 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.541 -6.579 21.728 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.062 -4.247 21.623 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.691 -3.706 21.272 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.060 -3.789 23.515 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.111 -5.532 23.339 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.051 -5.826 24.311 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.354 -4.438 23.499 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.620 -2.929 25.101 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.171 -4.357 25.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.205 -3.425 26.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.863 -4.969 26.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.328 -3.586 25.539 1.00 0.00 H new ATOM 535 N TYR A 37 -13.451 -5.487 18.827 1.00 0.00 N ATOM 536 CA TYR A 37 -14.564 -5.416 17.895 1.00 0.00 C ATOM 537 C TYR A 37 -15.376 -6.711 17.910 1.00 0.00 C ATOM 538 O TYR A 37 -16.540 -6.723 17.513 1.00 0.00 O ATOM 539 CB TYR A 37 -13.940 -5.236 16.509 1.00 0.00 C ATOM 540 CG TYR A 37 -14.839 -5.692 15.357 1.00 0.00 C ATOM 541 CD1 TYR A 37 -16.186 -5.390 15.373 1.00 0.00 C ATOM 542 CD2 TYR A 37 -14.304 -6.406 14.305 1.00 0.00 C ATOM 543 CE1 TYR A 37 -17.032 -5.819 14.290 1.00 0.00 C ATOM 544 CE2 TYR A 37 -15.150 -6.835 13.222 1.00 0.00 C ATOM 545 CZ TYR A 37 -16.472 -6.521 13.268 1.00 0.00 C ATOM 546 OH TYR A 37 -17.272 -6.925 12.244 1.00 0.00 O ATOM 0 H TYR A 37 -12.537 -5.295 18.416 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.237 -4.601 18.161 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.691 -4.184 16.368 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.004 -5.793 16.468 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.605 -4.832 16.198 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.250 -6.643 14.294 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.087 -5.589 14.289 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -14.744 -7.394 12.392 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.737 -7.415 11.585 1.00 0.00 H new ATOM 555 N SER A 38 -14.731 -7.773 18.372 1.00 0.00 N ATOM 556 CA SER A 38 -15.378 -9.071 18.445 1.00 0.00 C ATOM 557 C SER A 38 -16.259 -9.147 19.693 1.00 0.00 C ATOM 558 O SER A 38 -17.428 -9.519 19.611 1.00 0.00 O ATOM 559 CB SER A 38 -14.348 -10.202 18.453 1.00 0.00 C ATOM 560 OG SER A 38 -14.176 -10.776 17.160 1.00 0.00 O ATOM 0 H SER A 38 -13.765 -7.760 18.700 1.00 0.00 H new ATOM 0 HA SER A 38 -16.002 -9.191 17.559 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.392 -9.819 18.810 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.664 -10.975 19.154 1.00 0.00 H new ATOM 0 HG SER A 38 -13.509 -11.493 17.206 1.00 0.00 H new ATOM 565 N ASN A 39 -15.663 -8.788 20.821 1.00 0.00 N ATOM 566 CA ASN A 39 -16.379 -8.811 22.086 1.00 0.00 C ATOM 567 C ASN A 39 -17.186 -7.519 22.233 1.00 0.00 C ATOM 568 O ASN A 39 -18.410 -7.559 22.360 1.00 0.00 O ATOM 569 CB ASN A 39 -15.410 -8.899 23.266 1.00 0.00 C ATOM 570 CG ASN A 39 -15.876 -9.944 24.282 1.00 0.00 C ATOM 571 OD1 ASN A 39 -15.784 -11.141 24.067 1.00 0.00 O ATOM 572 ND2 ASN A 39 -16.381 -9.425 25.398 1.00 0.00 N ATOM 0 H ASN A 39 -14.693 -8.480 20.885 1.00 0.00 H new ATOM 0 HA ASN A 39 -17.031 -9.685 22.089 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.414 -9.156 22.905 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.332 -7.926 23.750 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -16.720 -10.039 26.138 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -16.429 -8.413 25.514 1.00 0.00 H new ATOM 578 N SER A 40 -16.469 -6.405 22.212 1.00 0.00 N ATOM 579 CA SER A 40 -17.105 -5.105 22.342 1.00 0.00 C ATOM 580 C SER A 40 -18.297 -5.007 21.388 1.00 0.00 C ATOM 581 O SER A 40 -19.237 -4.256 21.640 1.00 0.00 O ATOM 582 CB SER A 40 -16.109 -3.976 22.066 1.00 0.00 C ATOM 583 OG SER A 40 -16.724 -2.693 22.134 1.00 0.00 O ATOM 0 H SER A 40 -15.455 -6.376 22.107 1.00 0.00 H new ATOM 0 HA SER A 40 -17.460 -4.998 23.367 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.295 -4.026 22.789 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.668 -4.115 21.079 1.00 0.00 H new ATOM 0 HG SER A 40 -16.119 -2.063 22.579 1.00 0.00 H new ATOM 588 N ALA A 41 -18.218 -5.776 20.312 1.00 0.00 N ATOM 589 CA ALA A 41 -19.279 -5.785 19.320 1.00 0.00 C ATOM 590 C ALA A 41 -20.627 -5.956 20.022 1.00 0.00 C ATOM 591 O ALA A 41 -21.278 -4.973 20.373 1.00 0.00 O ATOM 592 CB ALA A 41 -19.010 -6.890 18.296 1.00 0.00 C ATOM 0 H ALA A 41 -17.436 -6.397 20.106 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.307 -4.839 18.780 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -19.806 -6.897 17.551 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.055 -6.706 17.804 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -18.978 -7.855 18.802 1.00 0.00 H new ATOM 598 N LEU A 42 -21.006 -7.212 20.207 1.00 0.00 N ATOM 599 CA LEU A 42 -22.266 -7.525 20.861 1.00 0.00 C ATOM 600 C LEU A 42 -23.317 -6.489 20.457 1.00 0.00 C ATOM 601 O LEU A 42 -24.172 -6.121 21.260 1.00 0.00 O ATOM 602 CB LEU A 42 -22.070 -7.643 22.374 1.00 0.00 C ATOM 603 CG LEU A 42 -21.412 -8.933 22.866 1.00 0.00 C ATOM 604 CD1 LEU A 42 -20.714 -8.715 24.211 1.00 0.00 C ATOM 605 CD2 LEU A 42 -22.426 -10.077 22.926 1.00 0.00 C ATOM 0 H LEU A 42 -20.463 -8.025 19.916 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.633 -8.497 20.533 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -21.466 -6.800 22.709 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -23.044 -7.549 22.855 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.644 -9.220 22.148 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.255 -9.648 24.538 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -19.945 -7.950 24.102 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.445 -8.391 24.952 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -21.932 -10.983 23.279 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -23.232 -9.813 23.610 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -22.837 -10.252 21.932 1.00 0.00 H new ATOM 616 N GLY A 43 -23.218 -6.049 19.211 1.00 0.00 N ATOM 617 CA GLY A 43 -24.150 -5.063 18.690 1.00 0.00 C ATOM 618 C GLY A 43 -23.420 -4.005 17.857 1.00 0.00 C ATOM 619 O GLY A 43 -23.405 -4.080 16.630 1.00 0.00 O ATOM 0 H GLY A 43 -22.507 -6.357 18.547 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.903 -5.558 18.077 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -24.676 -4.582 19.515 1.00 0.00 H new ATOM 623 N HIS A 44 -22.835 -3.046 18.559 1.00 0.00 N ATOM 624 CA HIS A 44 -22.106 -1.976 17.900 1.00 0.00 C ATOM 625 C HIS A 44 -21.504 -1.043 18.951 1.00 0.00 C ATOM 626 O HIS A 44 -21.645 0.176 18.860 1.00 0.00 O ATOM 627 CB HIS A 44 -23.003 -1.243 16.901 1.00 0.00 C ATOM 628 CG HIS A 44 -24.145 -0.488 17.539 1.00 0.00 C ATOM 629 ND1 HIS A 44 -24.504 0.793 17.155 1.00 0.00 N ATOM 630 CD2 HIS A 44 -25.004 -0.847 18.535 1.00 0.00 C ATOM 631 CE1 HIS A 44 -25.533 1.177 17.896 1.00 0.00 C ATOM 632 NE2 HIS A 44 -25.841 0.160 18.751 1.00 0.00 N ATOM 0 H HIS A 44 -22.851 -2.988 19.577 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.283 -2.395 17.321 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -22.395 -0.544 16.327 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -23.409 -1.967 16.194 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -25.003 -1.791 19.059 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -26.039 2.129 17.834 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -26.591 0.171 19.442 1.00 0.00 H new ATOM 640 N VAL A 45 -20.843 -1.649 19.926 1.00 0.00 N ATOM 641 CA VAL A 45 -20.218 -0.887 20.994 1.00 0.00 C ATOM 642 C VAL A 45 -18.764 -0.594 20.623 1.00 0.00 C ATOM 643 O VAL A 45 -18.274 0.513 20.842 1.00 0.00 O ATOM 644 CB VAL A 45 -20.357 -1.636 22.322 1.00 0.00 C ATOM 645 CG1 VAL A 45 -20.398 -0.661 23.500 1.00 0.00 C ATOM 646 CG2 VAL A 45 -21.590 -2.541 22.315 1.00 0.00 C ATOM 0 H VAL A 45 -20.726 -2.660 19.999 1.00 0.00 H new ATOM 0 HA VAL A 45 -20.720 0.072 21.123 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.478 -2.269 22.443 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -20.497 -1.219 24.431 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -19.477 -0.079 23.522 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -21.249 0.010 23.387 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -21.665 -3.061 23.270 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -22.484 -1.937 22.160 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.501 -3.271 21.510 1.00 0.00 H new ATOM 656 N ASN A 46 -18.114 -1.604 20.065 1.00 0.00 N ATOM 657 CA ASN A 46 -16.725 -1.469 19.661 1.00 0.00 C ATOM 658 C ASN A 46 -16.601 -0.326 18.651 1.00 0.00 C ATOM 659 O ASN A 46 -15.562 0.326 18.571 1.00 0.00 O ATOM 660 CB ASN A 46 -16.218 -2.748 18.990 1.00 0.00 C ATOM 661 CG ASN A 46 -16.570 -2.762 17.501 1.00 0.00 C ATOM 662 OD1 ASN A 46 -15.715 -2.870 16.637 1.00 0.00 O ATOM 663 ND2 ASN A 46 -17.871 -2.647 17.251 1.00 0.00 N ATOM 0 H ASN A 46 -18.524 -2.520 19.883 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.133 -1.271 20.554 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.138 -2.824 19.113 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.656 -3.618 19.479 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.207 -2.646 16.288 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -18.533 -2.560 18.022 1.00 0.00 H new ATOM 669 N CYS A 47 -17.677 -0.119 17.907 1.00 0.00 N ATOM 670 CA CYS A 47 -17.702 0.935 16.906 1.00 0.00 C ATOM 671 C CYS A 47 -17.260 2.240 17.571 1.00 0.00 C ATOM 672 O CYS A 47 -16.762 3.144 16.902 1.00 0.00 O ATOM 673 CB CYS A 47 -19.081 1.064 16.255 1.00 0.00 C ATOM 674 SG CYS A 47 -20.199 2.021 17.343 1.00 0.00 S ATOM 0 H CYS A 47 -18.537 -0.662 17.977 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.013 0.689 16.098 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.991 1.558 15.288 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.499 0.075 16.070 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.837 1.208 18.132 1.00 0.00 H new ATOM 679 N THR A 48 -17.459 2.297 18.879 1.00 0.00 N ATOM 680 CA THR A 48 -17.088 3.476 19.642 1.00 0.00 C ATOM 681 C THR A 48 -15.611 3.411 20.040 1.00 0.00 C ATOM 682 O THR A 48 -14.965 4.443 20.212 1.00 0.00 O ATOM 683 CB THR A 48 -18.035 3.585 20.839 1.00 0.00 C ATOM 684 OG1 THR A 48 -19.325 3.724 20.248 1.00 0.00 O ATOM 685 CG2 THR A 48 -17.842 4.883 21.623 1.00 0.00 C ATOM 0 H THR A 48 -17.873 1.545 19.430 1.00 0.00 H new ATOM 0 HA THR A 48 -17.193 4.381 19.044 1.00 0.00 H new ATOM 0 HB THR A 48 -17.880 2.735 21.503 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.001 3.799 20.953 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.538 4.909 22.461 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.820 4.933 21.999 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.030 5.734 20.969 1.00 0.00 H new ATOM 693 N ILE A 49 -15.122 2.187 20.176 1.00 0.00 N ATOM 694 CA ILE A 49 -13.735 1.973 20.551 1.00 0.00 C ATOM 695 C ILE A 49 -12.879 1.872 19.286 1.00 0.00 C ATOM 696 O ILE A 49 -11.653 1.947 19.355 1.00 0.00 O ATOM 697 CB ILE A 49 -13.611 0.761 21.476 1.00 0.00 C ATOM 698 CG1 ILE A 49 -13.357 -0.517 20.675 1.00 0.00 C ATOM 699 CG2 ILE A 49 -14.837 0.636 22.384 1.00 0.00 C ATOM 700 CD1 ILE A 49 -11.915 -0.571 20.168 1.00 0.00 C ATOM 0 H ILE A 49 -15.662 1.333 20.033 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.360 2.821 21.123 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.746 0.912 22.122 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.559 -1.387 21.299 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.045 -0.564 19.831 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -14.723 -0.234 23.031 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.930 1.534 22.995 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.732 0.519 21.773 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.762 -1.490 19.602 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.723 0.288 19.524 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.230 -0.549 21.016 1.00 0.00 H new ATOM 711 N LYS A 50 -13.560 1.702 18.162 1.00 0.00 N ATOM 712 CA LYS A 50 -12.878 1.589 16.884 1.00 0.00 C ATOM 713 C LYS A 50 -12.456 2.982 16.411 1.00 0.00 C ATOM 714 O LYS A 50 -11.273 3.235 16.193 1.00 0.00 O ATOM 715 CB LYS A 50 -13.748 0.835 15.877 1.00 0.00 C ATOM 716 CG LYS A 50 -14.034 -0.588 16.358 1.00 0.00 C ATOM 717 CD LYS A 50 -13.361 -1.620 15.450 1.00 0.00 C ATOM 718 CE LYS A 50 -11.996 -2.030 16.004 1.00 0.00 C ATOM 719 NZ LYS A 50 -10.978 -2.025 14.929 1.00 0.00 N ATOM 0 H LYS A 50 -14.577 1.640 18.110 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.968 0.998 16.989 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.687 1.369 15.731 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.246 0.802 14.910 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.675 -0.709 17.380 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -15.110 -0.760 16.375 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.999 -2.499 15.357 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.242 -1.206 14.449 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.698 -1.345 16.798 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.060 -3.024 16.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.053 -1.765 15.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.918 -2.972 14.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.247 -1.334 14.200 1.00 0.00 H new ATOM 729 N GLU A 51 -13.448 3.849 16.269 1.00 0.00 N ATOM 730 CA GLU A 51 -13.195 5.210 15.826 1.00 0.00 C ATOM 731 C GLU A 51 -12.195 5.894 16.759 1.00 0.00 C ATOM 732 O GLU A 51 -11.608 6.915 16.404 1.00 0.00 O ATOM 733 CB GLU A 51 -14.496 6.008 15.737 1.00 0.00 C ATOM 734 CG GLU A 51 -14.322 7.245 14.854 1.00 0.00 C ATOM 735 CD GLU A 51 -15.460 8.243 15.077 1.00 0.00 C ATOM 736 OE1 GLU A 51 -15.543 8.765 16.210 1.00 0.00 O ATOM 737 OE2 GLU A 51 -16.220 8.461 14.109 1.00 0.00 O ATOM 0 H GLU A 51 -14.428 3.636 16.453 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.762 5.172 14.826 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.287 5.377 15.332 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.810 6.311 16.736 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.367 7.722 15.074 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.295 6.947 13.806 1.00 0.00 H new ATOM 742 N LEU A 52 -12.030 5.303 17.934 1.00 0.00 N ATOM 743 CA LEU A 52 -11.110 5.843 18.920 1.00 0.00 C ATOM 744 C LEU A 52 -9.715 5.260 18.684 1.00 0.00 C ATOM 745 O LEU A 52 -8.711 5.947 18.869 1.00 0.00 O ATOM 746 CB LEU A 52 -11.643 5.609 20.334 1.00 0.00 C ATOM 747 CG LEU A 52 -11.521 6.788 21.302 1.00 0.00 C ATOM 748 CD1 LEU A 52 -12.865 7.093 21.968 1.00 0.00 C ATOM 749 CD2 LEU A 52 -10.415 6.543 22.329 1.00 0.00 C ATOM 0 H LEU A 52 -12.518 4.456 18.225 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.026 6.924 18.811 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.694 5.331 20.263 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.116 4.757 20.763 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.238 7.671 20.729 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.750 7.935 22.651 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.601 7.343 21.204 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.202 6.218 22.524 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.350 7.396 23.004 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.643 5.644 22.901 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.463 6.414 21.814 1.00 0.00 H new ATOM 760 N ARG A 53 -9.697 3.998 18.281 1.00 0.00 N ATOM 761 CA ARG A 53 -8.442 3.314 18.018 1.00 0.00 C ATOM 762 C ARG A 53 -8.041 3.486 16.552 1.00 0.00 C ATOM 763 O ARG A 53 -7.066 4.172 16.248 1.00 0.00 O ATOM 764 CB ARG A 53 -8.551 1.822 18.338 1.00 0.00 C ATOM 765 CG ARG A 53 -7.392 1.042 17.714 1.00 0.00 C ATOM 766 CD ARG A 53 -7.893 0.096 16.620 1.00 0.00 C ATOM 767 NE ARG A 53 -6.845 -0.893 16.287 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.881 -0.690 15.377 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.829 0.469 14.705 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.972 -1.644 15.140 1.00 0.00 N ATOM 0 H ARG A 53 -10.531 3.431 18.130 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.681 3.757 18.661 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.552 1.677 19.418 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.498 1.434 17.964 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.666 1.738 17.294 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.876 0.470 18.486 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.795 -0.416 16.956 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.163 0.666 15.731 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.856 -1.786 16.780 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.522 1.195 14.886 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.096 0.625 14.013 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.013 -2.525 15.652 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.239 -1.489 14.448 1.00 0.00 H new ATOM 781 N ARG A 54 -8.812 2.852 15.681 1.00 0.00 N ATOM 782 CA ARG A 54 -8.549 2.926 14.254 1.00 0.00 C ATOM 783 C ARG A 54 -8.892 4.320 13.724 1.00 0.00 C ATOM 784 O ARG A 54 -8.074 4.954 13.059 1.00 0.00 O ATOM 785 CB ARG A 54 -9.364 1.882 13.489 1.00 0.00 C ATOM 786 CG ARG A 54 -8.688 1.522 12.165 1.00 0.00 C ATOM 787 CD ARG A 54 -7.755 0.320 12.334 1.00 0.00 C ATOM 788 NE ARG A 54 -7.714 -0.468 11.081 1.00 0.00 N ATOM 789 CZ ARG A 54 -7.140 -0.045 9.947 1.00 0.00 C ATOM 790 NH1 ARG A 54 -6.558 1.161 9.901 1.00 0.00 N ATOM 791 NH2 ARG A 54 -7.150 -0.827 8.859 1.00 0.00 N ATOM 0 H ARG A 54 -9.620 2.284 15.936 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.489 2.725 14.101 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.478 0.986 14.099 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.366 2.266 13.297 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.446 1.296 11.415 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.122 2.378 11.797 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.752 0.661 12.592 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.100 -0.306 13.156 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.150 -1.390 11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.552 1.756 10.729 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.121 1.484 9.038 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.595 -1.744 8.894 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.713 -0.505 7.995 1.00 0.00 H new ATOM 802 N LEU A 55 -10.104 4.757 14.037 1.00 0.00 N ATOM 803 CA LEU A 55 -10.565 6.063 13.600 1.00 0.00 C ATOM 804 C LEU A 55 -11.196 5.938 12.211 1.00 0.00 C ATOM 805 O LEU A 55 -11.543 6.942 11.591 1.00 0.00 O ATOM 806 CB LEU A 55 -9.427 7.083 13.669 1.00 0.00 C ATOM 807 CG LEU A 55 -9.821 8.500 14.092 1.00 0.00 C ATOM 808 CD1 LEU A 55 -9.280 8.827 15.485 1.00 0.00 C ATOM 809 CD2 LEU A 55 -9.379 9.527 13.050 1.00 0.00 C ATOM 0 H LEU A 55 -10.780 4.229 14.588 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.339 6.438 14.270 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.676 6.713 14.366 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.953 7.136 12.689 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.908 8.549 14.149 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.574 9.840 15.761 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.687 8.121 16.208 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.192 8.754 15.479 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.672 10.525 13.376 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.296 9.486 12.935 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.854 9.304 12.095 1.00 0.00 H new ATOM 820 N PHE A 56 -11.323 4.698 11.764 1.00 0.00 N ATOM 821 CA PHE A 56 -11.905 4.428 10.460 1.00 0.00 C ATOM 822 C PHE A 56 -12.701 3.122 10.474 1.00 0.00 C ATOM 823 O PHE A 56 -13.809 3.060 9.944 1.00 0.00 O ATOM 824 CB PHE A 56 -10.746 4.296 9.471 1.00 0.00 C ATOM 825 CG PHE A 56 -11.018 4.924 8.103 1.00 0.00 C ATOM 826 CD1 PHE A 56 -11.320 6.247 8.011 1.00 0.00 C ATOM 827 CD2 PHE A 56 -10.960 4.161 6.979 1.00 0.00 C ATOM 828 CE1 PHE A 56 -11.574 6.832 6.742 1.00 0.00 C ATOM 829 CE2 PHE A 56 -11.213 4.745 5.710 1.00 0.00 C ATOM 830 CZ PHE A 56 -11.515 6.068 5.618 1.00 0.00 C ATOM 0 H PHE A 56 -11.033 3.868 12.282 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.586 5.233 10.183 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.860 4.761 9.902 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.517 3.239 9.335 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -11.367 6.853 8.904 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -10.721 3.110 7.052 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.814 7.883 6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.166 4.139 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.708 6.512 4.653 1.00 0.00 H new ATOM 839 N LEU A 57 -12.104 2.109 11.086 1.00 0.00 N ATOM 840 CA LEU A 57 -12.743 0.807 11.175 1.00 0.00 C ATOM 841 C LEU A 57 -14.216 0.992 11.546 1.00 0.00 C ATOM 842 O LEU A 57 -15.096 0.413 10.911 1.00 0.00 O ATOM 843 CB LEU A 57 -11.976 -0.101 12.138 1.00 0.00 C ATOM 844 CG LEU A 57 -11.934 -1.585 11.770 1.00 0.00 C ATOM 845 CD1 LEU A 57 -13.339 -2.191 11.770 1.00 0.00 C ATOM 846 CD2 LEU A 57 -11.217 -1.799 10.435 1.00 0.00 C ATOM 0 H LEU A 57 -11.185 2.164 11.525 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.717 0.303 10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.952 0.264 12.212 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.421 -0.005 13.129 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.358 -2.109 12.533 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.280 -3.247 11.505 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.779 -2.090 12.762 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -13.961 -1.669 11.043 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.201 -2.863 10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.744 -1.259 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.195 -1.428 10.508 1.00 0.00 H new ATOM 857 N VAL A 58 -14.438 1.799 12.572 1.00 0.00 N ATOM 858 CA VAL A 58 -15.789 2.068 13.035 1.00 0.00 C ATOM 859 C VAL A 58 -16.606 0.774 12.986 1.00 0.00 C ATOM 860 O VAL A 58 -17.429 0.589 12.091 1.00 0.00 O ATOM 861 CB VAL A 58 -16.411 3.198 12.212 1.00 0.00 C ATOM 862 CG1 VAL A 58 -17.876 3.413 12.595 1.00 0.00 C ATOM 863 CG2 VAL A 58 -15.608 4.491 12.364 1.00 0.00 C ATOM 0 H VAL A 58 -13.705 2.276 13.097 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.777 2.408 14.071 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.380 2.906 11.162 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.294 4.222 11.995 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -18.438 2.497 12.412 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -17.941 3.674 13.651 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.071 5.279 11.769 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.593 4.789 13.412 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.587 4.328 12.019 1.00 0.00 H new ATOM 873 N ASP A 59 -16.351 -0.087 13.959 1.00 0.00 N ATOM 874 CA ASP A 59 -17.052 -1.357 14.039 1.00 0.00 C ATOM 875 C ASP A 59 -16.499 -2.307 12.974 1.00 0.00 C ATOM 876 O ASP A 59 -16.027 -3.396 13.294 1.00 0.00 O ATOM 877 CB ASP A 59 -18.548 -1.177 13.782 1.00 0.00 C ATOM 878 CG ASP A 59 -19.441 -2.281 14.353 1.00 0.00 C ATOM 879 OD1 ASP A 59 -19.007 -3.451 14.288 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.536 -1.929 14.842 1.00 0.00 O ATOM 0 H ASP A 59 -15.668 0.070 14.700 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.905 -1.762 15.040 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.861 -0.222 14.205 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.712 -1.118 12.706 1.00 0.00 H new ATOM 884 N ASP A 60 -16.577 -1.859 11.729 1.00 0.00 N ATOM 885 CA ASP A 60 -16.091 -2.655 10.616 1.00 0.00 C ATOM 886 C ASP A 60 -15.537 -1.726 9.534 1.00 0.00 C ATOM 887 O ASP A 60 -14.504 -2.016 8.931 1.00 0.00 O ATOM 888 CB ASP A 60 -17.220 -3.481 9.996 1.00 0.00 C ATOM 889 CG ASP A 60 -16.918 -4.049 8.607 1.00 0.00 C ATOM 890 OD1 ASP A 60 -15.718 -4.099 8.263 1.00 0.00 O ATOM 891 OD2 ASP A 60 -17.895 -4.419 7.921 1.00 0.00 O ATOM 0 H ASP A 60 -16.970 -0.955 11.467 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.318 -3.325 10.992 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.456 -4.307 10.667 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.112 -2.858 9.931 1.00 0.00 H new TER 895 ASP A 60