USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 486 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 Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 154:sc= 0.181 USER MOD Single : A 13 MET CE :methyl 150:sc= -0.532 (180deg=-1.62) USER MOD Single : A 17 ASN : amide:sc= -2.17 K(o=-2.2,f=-0.95) USER MOD Single : A 18 SER OG : rot -40:sc= 0.62 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0564 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -4.82! K(o=-4.8!,f=-3.6) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0218) USER MOD Single : A 46 MET CE :methyl -178:sc= -10! (180deg=-10.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0609 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N ARG A 7 -0.380 0.688 -7.776 1.00 0.00 N ATOM 83 CA ARG A 7 -0.253 0.499 -6.306 1.00 0.00 C ATOM 84 C ARG A 7 0.767 -0.613 -6.013 1.00 0.00 C ATOM 85 O ARG A 7 0.799 -1.617 -6.698 1.00 0.00 O ATOM 86 CB ARG A 7 -1.611 0.106 -5.721 1.00 0.00 C ATOM 87 CG ARG A 7 -1.973 -1.311 -6.170 1.00 0.00 C ATOM 88 CD ARG A 7 -3.458 -1.365 -6.532 1.00 0.00 C ATOM 89 NE ARG A 7 -3.622 -1.130 -7.994 1.00 0.00 N ATOM 90 CZ ARG A 7 -4.533 -1.783 -8.663 1.00 0.00 C ATOM 91 NH1 ARG A 7 -4.645 -3.075 -8.521 1.00 0.00 N ATOM 92 NH2 ARG A 7 -5.331 -1.142 -9.471 1.00 0.00 N ATOM 0 HA ARG A 7 0.085 1.431 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.578 0.156 -4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.377 0.809 -6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.367 -1.598 -7.029 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.755 -2.023 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.875 -2.335 -6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.008 -0.612 -5.968 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.022 -0.458 -8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.021 -3.574 -7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.357 -3.586 -9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.243 -0.132 -9.580 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.043 -1.651 -9.994 1.00 0.00 H new ATOM 106 N PRO A 8 1.563 -0.400 -4.994 1.00 0.00 N ATOM 107 CA PRO A 8 2.592 -1.365 -4.565 1.00 0.00 C ATOM 108 C PRO A 8 1.932 -2.580 -3.907 1.00 0.00 C ATOM 109 O PRO A 8 0.908 -2.467 -3.262 1.00 0.00 O ATOM 110 CB PRO A 8 3.437 -0.567 -3.561 1.00 0.00 C ATOM 111 CG PRO A 8 2.539 0.592 -3.066 1.00 0.00 C ATOM 112 CD PRO A 8 1.506 0.824 -4.178 1.00 0.00 C ATOM 0 HA PRO A 8 3.191 -1.759 -5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.752 -1.198 -2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.342 -0.184 -4.032 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.051 0.335 -2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.127 1.492 -2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.509 0.981 -3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.750 1.707 -4.769 1.00 0.00 H new ATOM 120 N LEU A 9 2.501 -3.743 -4.071 1.00 0.00 N ATOM 121 CA LEU A 9 1.891 -4.958 -3.460 1.00 0.00 C ATOM 122 C LEU A 9 2.967 -5.999 -3.155 1.00 0.00 C ATOM 123 O LEU A 9 4.147 -5.783 -3.346 1.00 0.00 O ATOM 124 CB LEU A 9 0.809 -5.521 -4.401 1.00 0.00 C ATOM 125 CG LEU A 9 1.345 -6.697 -5.216 1.00 0.00 C ATOM 126 CD1 LEU A 9 0.299 -7.123 -6.242 1.00 0.00 C ATOM 127 CD2 LEU A 9 2.621 -6.266 -5.928 1.00 0.00 C ATOM 0 H LEU A 9 3.358 -3.904 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 9 1.418 -4.691 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.053 -5.843 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.464 -4.736 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 9 1.561 -7.538 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.681 -7.962 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.614 -7.424 -5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.082 -6.288 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.011 -7.099 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.403 -5.429 -6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.364 -5.961 -5.191 1.00 0.00 H new ATOM 139 N SER A 10 2.545 -7.118 -2.658 1.00 0.00 N ATOM 140 CA SER A 10 3.503 -8.203 -2.296 1.00 0.00 C ATOM 141 C SER A 10 3.943 -8.986 -3.540 1.00 0.00 C ATOM 142 O SER A 10 3.247 -9.053 -4.539 1.00 0.00 O ATOM 143 CB SER A 10 2.830 -9.160 -1.312 1.00 0.00 C ATOM 144 OG SER A 10 3.793 -9.628 -0.377 1.00 0.00 O ATOM 0 H SER A 10 1.564 -7.337 -2.482 1.00 0.00 H new ATOM 0 HA SER A 10 4.384 -7.750 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.018 -8.652 -0.791 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.389 -10.000 -1.848 1.00 0.00 H new ATOM 0 HG SER A 10 3.364 -10.240 0.256 1.00 0.00 H new ATOM 150 N ALA A 11 5.102 -9.585 -3.472 1.00 0.00 N ATOM 151 CA ALA A 11 5.613 -10.375 -4.627 1.00 0.00 C ATOM 152 C ALA A 11 4.689 -11.566 -4.880 1.00 0.00 C ATOM 153 O ALA A 11 4.348 -11.869 -6.007 1.00 0.00 O ATOM 154 CB ALA A 11 7.022 -10.883 -4.307 1.00 0.00 C ATOM 0 H ALA A 11 5.719 -9.560 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 11 5.643 -9.745 -5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.400 -11.462 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.682 -10.035 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.988 -11.514 -3.419 1.00 0.00 H new ATOM 160 N TYR A 12 4.275 -12.244 -3.844 1.00 0.00 N ATOM 161 CA TYR A 12 3.372 -13.403 -4.030 1.00 0.00 C ATOM 162 C TYR A 12 2.176 -12.968 -4.871 1.00 0.00 C ATOM 163 O TYR A 12 1.564 -13.758 -5.561 1.00 0.00 O ATOM 164 CB TYR A 12 2.899 -13.872 -2.661 1.00 0.00 C ATOM 165 CG TYR A 12 1.738 -14.826 -2.823 1.00 0.00 C ATOM 166 CD1 TYR A 12 1.850 -15.917 -3.692 1.00 0.00 C ATOM 167 CD2 TYR A 12 0.554 -14.621 -2.107 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.780 -16.803 -3.846 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.518 -15.507 -2.261 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.405 -16.599 -3.131 1.00 0.00 C ATOM 171 OH TYR A 12 -1.462 -17.474 -3.281 1.00 0.00 O ATOM 0 H TYR A 12 4.527 -12.041 -2.877 1.00 0.00 H new ATOM 0 HA TYR A 12 3.891 -14.216 -4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.715 -14.364 -2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.598 -13.016 -2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.764 -16.075 -4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.467 -13.779 -1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.868 -17.645 -4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.433 -15.349 -1.709 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.012 -17.464 -2.470 1.00 0.00 H new ATOM 181 N MET A 13 1.842 -11.708 -4.820 1.00 0.00 N ATOM 182 CA MET A 13 0.691 -11.213 -5.614 1.00 0.00 C ATOM 183 C MET A 13 1.112 -11.079 -7.079 1.00 0.00 C ATOM 184 O MET A 13 0.392 -11.471 -7.974 1.00 0.00 O ATOM 185 CB MET A 13 0.258 -9.852 -5.077 1.00 0.00 C ATOM 186 CG MET A 13 -0.615 -10.039 -3.835 1.00 0.00 C ATOM 187 SD MET A 13 -2.350 -9.771 -4.273 1.00 0.00 S ATOM 188 CE MET A 13 -2.698 -11.448 -4.860 1.00 0.00 C ATOM 0 H MET A 13 2.320 -11.001 -4.261 1.00 0.00 H new ATOM 0 HA MET A 13 -0.141 -11.913 -5.538 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.134 -9.253 -4.830 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.295 -9.308 -5.843 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.481 -11.043 -3.431 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.313 -9.339 -3.056 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.747 -11.685 -4.684 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.486 -11.511 -5.927 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.071 -12.159 -4.323 1.00 0.00 H new ATOM 198 N LEU A 14 2.273 -10.531 -7.340 1.00 0.00 N ATOM 199 CA LEU A 14 2.707 -10.393 -8.765 1.00 0.00 C ATOM 200 C LEU A 14 2.577 -11.753 -9.442 1.00 0.00 C ATOM 201 O LEU A 14 1.966 -11.891 -10.483 1.00 0.00 O ATOM 202 CB LEU A 14 4.167 -9.927 -8.861 1.00 0.00 C ATOM 203 CG LEU A 14 4.406 -8.769 -7.889 1.00 0.00 C ATOM 204 CD1 LEU A 14 5.836 -8.247 -8.040 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.423 -7.647 -8.216 1.00 0.00 C ATOM 0 H LEU A 14 2.929 -10.179 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 14 2.078 -9.649 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.838 -10.754 -8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.391 -9.611 -9.880 1.00 0.00 H new ATOM 0 HG LEU A 14 4.260 -9.114 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.998 -7.423 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.541 -9.049 -7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.989 -7.896 -9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.581 -6.814 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.583 -7.310 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.402 -8.015 -8.110 1.00 0.00 H new ATOM 217 N TRP A 15 3.147 -12.763 -8.848 1.00 0.00 N ATOM 218 CA TRP A 15 3.060 -14.124 -9.436 1.00 0.00 C ATOM 219 C TRP A 15 1.595 -14.563 -9.450 1.00 0.00 C ATOM 220 O TRP A 15 1.143 -15.234 -10.355 1.00 0.00 O ATOM 221 CB TRP A 15 3.886 -15.087 -8.583 1.00 0.00 C ATOM 222 CG TRP A 15 3.669 -16.486 -9.050 1.00 0.00 C ATOM 223 CD1 TRP A 15 4.415 -17.118 -9.983 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.657 -17.435 -8.619 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.928 -18.402 -10.148 1.00 0.00 N ATOM 226 CE2 TRP A 15 2.842 -18.643 -9.331 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.605 -17.366 -7.689 1.00 0.00 C ATOM 228 CZ2 TRP A 15 2.015 -19.745 -9.126 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.769 -18.472 -7.481 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.972 -19.660 -8.199 1.00 0.00 C ATOM 0 H TRP A 15 3.672 -12.702 -7.976 1.00 0.00 H new ATOM 0 HA TRP A 15 3.447 -14.123 -10.455 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.943 -14.831 -8.650 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.601 -14.995 -7.535 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.254 -16.691 -10.513 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.323 -19.086 -10.794 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.440 -16.456 -7.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.178 -20.658 -9.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.036 -18.409 -6.764 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.323 -20.508 -8.036 1.00 0.00 H new ATOM 241 N LEU A 16 0.848 -14.174 -8.452 1.00 0.00 N ATOM 242 CA LEU A 16 -0.592 -14.549 -8.398 1.00 0.00 C ATOM 243 C LEU A 16 -1.306 -13.990 -9.631 1.00 0.00 C ATOM 244 O LEU A 16 -2.277 -14.548 -10.103 1.00 0.00 O ATOM 245 CB LEU A 16 -1.218 -13.954 -7.133 1.00 0.00 C ATOM 246 CG LEU A 16 -2.044 -15.020 -6.411 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.266 -15.386 -7.254 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.183 -16.266 -6.194 1.00 0.00 C ATOM 0 H LEU A 16 1.176 -13.610 -7.668 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.691 -15.634 -8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.437 -13.577 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.851 -13.106 -7.394 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.375 -14.630 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.851 -16.146 -6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.880 -14.499 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.939 -15.775 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.769 -17.028 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.852 -16.652 -7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.314 -16.007 -5.589 1.00 0.00 H new ATOM 260 N ASN A 17 -0.833 -12.892 -10.157 1.00 0.00 N ATOM 261 CA ASN A 17 -1.481 -12.297 -11.356 1.00 0.00 C ATOM 262 C ASN A 17 -0.969 -12.995 -12.616 1.00 0.00 C ATOM 263 O ASN A 17 -1.673 -13.120 -13.599 1.00 0.00 O ATOM 264 CB ASN A 17 -1.147 -10.818 -11.426 1.00 0.00 C ATOM 265 CG ASN A 17 -1.216 -10.206 -10.026 1.00 0.00 C ATOM 266 OD1 ASN A 17 -2.152 -10.446 -9.291 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.255 -9.420 -9.624 1.00 0.00 N ATOM 0 H ASN A 17 -0.023 -12.382 -9.805 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.561 -12.425 -11.286 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.150 -10.680 -11.845 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.845 -10.309 -12.091 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.290 -9.007 -8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.531 -9.219 -10.242 1.00 0.00 H new ATOM 274 N SER A 18 0.253 -13.451 -12.596 1.00 0.00 N ATOM 275 CA SER A 18 0.813 -14.139 -13.793 1.00 0.00 C ATOM 276 C SER A 18 0.319 -15.587 -13.837 1.00 0.00 C ATOM 277 O SER A 18 0.596 -16.319 -14.768 1.00 0.00 O ATOM 278 CB SER A 18 2.332 -14.120 -13.721 1.00 0.00 C ATOM 279 OG SER A 18 2.775 -15.103 -12.795 1.00 0.00 O ATOM 0 H SER A 18 0.888 -13.377 -11.802 1.00 0.00 H new ATOM 0 HA SER A 18 0.484 -13.622 -14.694 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.756 -14.316 -14.706 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.680 -13.133 -13.415 1.00 0.00 H new ATOM 0 HG SER A 18 2.184 -15.106 -12.014 1.00 0.00 H new ATOM 285 N ALA A 19 -0.413 -16.007 -12.843 1.00 0.00 N ATOM 286 CA ALA A 19 -0.927 -17.405 -12.835 1.00 0.00 C ATOM 287 C ALA A 19 -2.445 -17.387 -12.663 1.00 0.00 C ATOM 288 O ALA A 19 -3.093 -18.411 -12.707 1.00 0.00 O ATOM 289 CB ALA A 19 -0.300 -18.177 -11.675 1.00 0.00 C ATOM 0 H ALA A 19 -0.678 -15.442 -12.036 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.668 -17.889 -13.777 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.678 -19.199 -11.672 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.784 -18.191 -11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.558 -17.692 -10.734 1.00 0.00 H new ATOM 295 N ARG A 20 -3.016 -16.231 -12.462 1.00 0.00 N ATOM 296 CA ARG A 20 -4.492 -16.150 -12.281 1.00 0.00 C ATOM 297 C ARG A 20 -5.194 -16.704 -13.520 1.00 0.00 C ATOM 298 O ARG A 20 -6.367 -17.020 -13.489 1.00 0.00 O ATOM 299 CB ARG A 20 -4.896 -14.690 -12.069 1.00 0.00 C ATOM 300 CG ARG A 20 -5.978 -14.611 -10.991 1.00 0.00 C ATOM 301 CD ARG A 20 -7.204 -13.891 -11.555 1.00 0.00 C ATOM 302 NE ARG A 20 -8.438 -14.621 -11.150 1.00 0.00 N ATOM 303 CZ ARG A 20 -9.413 -14.770 -12.004 1.00 0.00 C ATOM 304 NH1 ARG A 20 -9.889 -13.735 -12.638 1.00 0.00 N ATOM 305 NH2 ARG A 20 -9.911 -15.956 -12.225 1.00 0.00 N ATOM 0 H ARG A 20 -2.523 -15.339 -12.415 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.785 -16.739 -11.412 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.028 -14.101 -11.772 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.266 -14.265 -13.002 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.251 -15.613 -10.660 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.599 -14.079 -10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.238 -12.865 -11.187 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.140 -13.838 -12.642 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.520 -15.003 -10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.499 -12.808 -12.466 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.651 -13.852 -13.306 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.538 -16.766 -11.730 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.673 -16.073 -12.893 1.00 0.00 H new ATOM 319 N GLU A 21 -4.489 -16.828 -14.609 1.00 0.00 N ATOM 320 CA GLU A 21 -5.124 -17.367 -15.842 1.00 0.00 C ATOM 321 C GLU A 21 -5.190 -18.889 -15.748 1.00 0.00 C ATOM 322 O GLU A 21 -6.254 -19.473 -15.704 1.00 0.00 O ATOM 323 CB GLU A 21 -4.296 -16.963 -17.066 1.00 0.00 C ATOM 324 CG GLU A 21 -5.168 -17.040 -18.319 1.00 0.00 C ATOM 325 CD GLU A 21 -4.909 -15.814 -19.196 1.00 0.00 C ATOM 326 OE1 GLU A 21 -4.661 -14.756 -18.641 1.00 0.00 O ATOM 327 OE2 GLU A 21 -4.964 -15.953 -20.407 1.00 0.00 O ATOM 0 H GLU A 21 -3.504 -16.580 -14.698 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.131 -16.962 -15.941 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.911 -15.951 -16.940 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.434 -17.622 -17.169 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.946 -17.951 -18.874 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.221 -17.085 -18.040 1.00 0.00 H new ATOM 334 N SER A 22 -4.061 -19.534 -15.706 1.00 0.00 N ATOM 335 CA SER A 22 -4.058 -21.019 -15.603 1.00 0.00 C ATOM 336 C SER A 22 -4.639 -21.429 -14.251 1.00 0.00 C ATOM 337 O SER A 22 -4.932 -22.585 -14.014 1.00 0.00 O ATOM 338 CB SER A 22 -2.624 -21.537 -15.727 1.00 0.00 C ATOM 339 OG SER A 22 -1.745 -20.653 -15.043 1.00 0.00 O ATOM 0 H SER A 22 -3.139 -19.098 -15.738 1.00 0.00 H new ATOM 0 HA SER A 22 -4.663 -21.445 -16.404 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.550 -22.540 -15.307 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.341 -21.610 -16.777 1.00 0.00 H new ATOM 0 HG SER A 22 -0.825 -20.983 -15.119 1.00 0.00 H new ATOM 345 N ILE A 23 -4.820 -20.490 -13.364 1.00 0.00 N ATOM 346 CA ILE A 23 -5.392 -20.825 -12.034 1.00 0.00 C ATOM 347 C ILE A 23 -6.916 -20.774 -12.133 1.00 0.00 C ATOM 348 O ILE A 23 -7.613 -21.620 -11.609 1.00 0.00 O ATOM 349 CB ILE A 23 -4.887 -19.809 -10.995 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.578 -20.321 -10.394 1.00 0.00 C ATOM 351 CG2 ILE A 23 -5.916 -19.622 -9.870 1.00 0.00 C ATOM 352 CD1 ILE A 23 -2.953 -19.234 -9.520 1.00 0.00 C ATOM 0 H ILE A 23 -4.596 -19.505 -13.505 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.083 -21.824 -11.725 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.731 -18.850 -11.489 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.765 -21.216 -9.800 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.888 -20.604 -11.189 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.537 -18.899 -9.147 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.853 -19.257 -10.291 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.089 -20.576 -9.373 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.020 -19.602 -9.093 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.751 -18.351 -10.126 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.642 -18.973 -8.716 1.00 0.00 H new ATOM 364 N LYS A 24 -7.437 -19.777 -12.791 1.00 0.00 N ATOM 365 CA LYS A 24 -8.906 -19.656 -12.913 1.00 0.00 C ATOM 366 C LYS A 24 -9.470 -20.824 -13.736 1.00 0.00 C ATOM 367 O LYS A 24 -10.583 -21.264 -13.521 1.00 0.00 O ATOM 368 CB LYS A 24 -9.218 -18.320 -13.586 1.00 0.00 C ATOM 369 CG LYS A 24 -9.210 -18.486 -15.104 1.00 0.00 C ATOM 370 CD LYS A 24 -9.151 -17.110 -15.771 1.00 0.00 C ATOM 371 CE LYS A 24 -10.505 -16.790 -16.408 1.00 0.00 C ATOM 372 NZ LYS A 24 -10.347 -16.681 -17.885 1.00 0.00 N ATOM 0 H LYS A 24 -6.902 -19.040 -13.250 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.371 -19.691 -11.928 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.191 -17.956 -13.257 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.481 -17.573 -13.290 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.353 -19.086 -15.410 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.104 -19.019 -15.426 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.895 -16.348 -15.034 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.368 -17.096 -16.530 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.226 -17.570 -16.166 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.897 -15.857 -16.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.267 -16.464 -18.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.672 -15.921 -18.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.991 -17.582 -18.263 1.00 0.00 H new ATOM 386 N ARG A 25 -8.721 -21.318 -14.686 1.00 0.00 N ATOM 387 CA ARG A 25 -9.230 -22.441 -15.523 1.00 0.00 C ATOM 388 C ARG A 25 -9.068 -23.768 -14.775 1.00 0.00 C ATOM 389 O ARG A 25 -10.037 -24.406 -14.411 1.00 0.00 O ATOM 390 CB ARG A 25 -8.444 -22.493 -16.835 1.00 0.00 C ATOM 391 CG ARG A 25 -9.222 -21.743 -17.920 1.00 0.00 C ATOM 392 CD ARG A 25 -8.284 -21.350 -19.049 1.00 0.00 C ATOM 393 NE ARG A 25 -7.018 -20.806 -18.483 1.00 0.00 N ATOM 394 CZ ARG A 25 -5.922 -20.835 -19.192 1.00 0.00 C ATOM 395 NH1 ARG A 25 -5.701 -19.916 -20.090 1.00 0.00 N ATOM 396 NH2 ARG A 25 -5.047 -21.785 -19.003 1.00 0.00 N ATOM 0 H ARG A 25 -7.782 -20.993 -14.917 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.287 -22.280 -15.735 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.460 -22.044 -16.701 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.284 -23.528 -17.136 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.025 -22.372 -18.305 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.689 -20.854 -17.497 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.071 -22.216 -19.676 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.759 -20.604 -19.686 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.007 -20.411 -17.543 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.385 -19.174 -20.239 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.845 -19.939 -20.643 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.219 -22.505 -18.301 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.191 -21.807 -19.557 1.00 0.00 H new ATOM 410 N GLU A 26 -7.854 -24.191 -14.548 1.00 0.00 N ATOM 411 CA GLU A 26 -7.633 -25.480 -13.830 1.00 0.00 C ATOM 412 C GLU A 26 -8.575 -25.576 -12.625 1.00 0.00 C ATOM 413 O GLU A 26 -8.911 -26.653 -12.176 1.00 0.00 O ATOM 414 CB GLU A 26 -6.184 -25.551 -13.343 1.00 0.00 C ATOM 415 CG GLU A 26 -5.291 -26.089 -14.462 1.00 0.00 C ATOM 416 CD GLU A 26 -3.941 -26.507 -13.880 1.00 0.00 C ATOM 417 OE1 GLU A 26 -3.846 -26.605 -12.667 1.00 0.00 O ATOM 418 OE2 GLU A 26 -3.024 -26.722 -14.655 1.00 0.00 O ATOM 0 H GLU A 26 -7.005 -23.700 -14.829 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.834 -26.306 -14.512 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.844 -24.562 -13.037 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.115 -26.197 -12.467 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.770 -26.940 -14.946 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.149 -25.326 -15.227 1.00 0.00 H new ATOM 425 N ASN A 27 -8.994 -24.462 -12.092 1.00 0.00 N ATOM 426 CA ASN A 27 -9.904 -24.499 -10.910 1.00 0.00 C ATOM 427 C ASN A 27 -11.360 -24.381 -11.366 1.00 0.00 C ATOM 428 O ASN A 27 -11.647 -23.784 -12.384 1.00 0.00 O ATOM 429 CB ASN A 27 -9.566 -23.339 -9.973 1.00 0.00 C ATOM 430 CG ASN A 27 -8.103 -23.447 -9.541 1.00 0.00 C ATOM 431 OD1 ASN A 27 -7.567 -24.532 -9.438 1.00 0.00 O ATOM 432 ND2 ASN A 27 -7.431 -22.360 -9.280 1.00 0.00 N ATOM 0 H ASN A 27 -8.747 -23.529 -12.422 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.771 -25.445 -10.385 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.739 -22.388 -10.476 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.218 -23.361 -9.099 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.455 -22.421 -8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.881 -21.449 -9.367 1.00 0.00 H new ATOM 439 N PRO A 28 -12.236 -24.958 -10.582 1.00 0.00 N ATOM 440 CA PRO A 28 -13.681 -24.948 -10.852 1.00 0.00 C ATOM 441 C PRO A 28 -14.290 -23.596 -10.493 1.00 0.00 C ATOM 442 O PRO A 28 -14.980 -23.469 -9.500 1.00 0.00 O ATOM 443 CB PRO A 28 -14.229 -26.037 -9.947 1.00 0.00 C ATOM 444 CG PRO A 28 -13.196 -26.229 -8.830 1.00 0.00 C ATOM 445 CD PRO A 28 -11.863 -25.673 -9.350 1.00 0.00 C ATOM 0 HA PRO A 28 -13.912 -25.116 -11.904 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.197 -25.750 -9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.379 -26.964 -10.501 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.505 -25.706 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.099 -27.283 -8.571 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.398 -25.005 -8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.148 -26.471 -9.552 1.00 0.00 H new ATOM 453 N GLY A 29 -14.039 -22.581 -11.277 1.00 0.00 N ATOM 454 CA GLY A 29 -14.603 -21.242 -10.947 1.00 0.00 C ATOM 455 C GLY A 29 -14.398 -20.994 -9.455 1.00 0.00 C ATOM 456 O GLY A 29 -15.158 -20.295 -8.814 1.00 0.00 O ATOM 0 H GLY A 29 -13.473 -22.621 -12.124 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.109 -20.467 -11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.663 -21.204 -11.197 1.00 0.00 H new ATOM 460 N ILE A 30 -13.373 -21.589 -8.901 1.00 0.00 N ATOM 461 CA ILE A 30 -13.089 -21.433 -7.454 1.00 0.00 C ATOM 462 C ILE A 30 -13.382 -20.001 -7.001 1.00 0.00 C ATOM 463 O ILE A 30 -13.258 -19.060 -7.759 1.00 0.00 O ATOM 464 CB ILE A 30 -11.626 -21.763 -7.218 1.00 0.00 C ATOM 465 CG1 ILE A 30 -11.301 -21.674 -5.725 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.784 -20.766 -7.984 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.879 -22.185 -5.489 1.00 0.00 C ATOM 0 H ILE A 30 -12.714 -22.184 -9.403 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.726 -22.105 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.415 -22.777 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.392 -20.643 -5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.013 -22.266 -5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.728 -20.986 -7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.016 -20.835 -9.047 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.001 -19.758 -7.630 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.642 -22.124 -4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.806 -23.222 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.175 -21.574 -6.054 1.00 0.00 H new ATOM 479 N LYS A 31 -13.769 -19.832 -5.767 1.00 0.00 N ATOM 480 CA LYS A 31 -14.068 -18.462 -5.261 1.00 0.00 C ATOM 481 C LYS A 31 -12.771 -17.656 -5.179 1.00 0.00 C ATOM 482 O LYS A 31 -11.688 -18.207 -5.136 1.00 0.00 O ATOM 483 CB LYS A 31 -14.697 -18.559 -3.870 1.00 0.00 C ATOM 484 CG LYS A 31 -16.191 -18.238 -3.959 1.00 0.00 C ATOM 485 CD LYS A 31 -17.004 -19.466 -3.545 1.00 0.00 C ATOM 486 CE LYS A 31 -18.122 -19.706 -4.562 1.00 0.00 C ATOM 487 NZ LYS A 31 -19.355 -18.993 -4.122 1.00 0.00 N ATOM 0 H LYS A 31 -13.891 -20.582 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.762 -17.966 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.553 -19.560 -3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.205 -17.865 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.431 -17.395 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.450 -17.943 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.357 -20.341 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.428 -19.317 -2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.815 -19.351 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.320 -20.774 -4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.115 -19.156 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.650 -19.352 -3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.161 -17.973 -4.054 1.00 0.00 H new ATOM 501 N VAL A 32 -12.869 -16.356 -5.157 1.00 0.00 N ATOM 502 CA VAL A 32 -11.651 -15.516 -5.076 1.00 0.00 C ATOM 503 C VAL A 32 -10.937 -15.792 -3.747 1.00 0.00 C ATOM 504 O VAL A 32 -9.730 -15.703 -3.648 1.00 0.00 O ATOM 505 CB VAL A 32 -12.045 -14.035 -5.191 1.00 0.00 C ATOM 506 CG1 VAL A 32 -13.437 -13.832 -4.623 1.00 0.00 C ATOM 507 CG2 VAL A 32 -11.071 -13.169 -4.410 1.00 0.00 C ATOM 0 H VAL A 32 -13.748 -15.840 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.971 -15.757 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.023 -13.751 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.714 -12.781 -4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -14.150 -14.440 -5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.449 -14.129 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.362 -12.122 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.086 -13.461 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.065 -13.302 -4.809 1.00 0.00 H new ATOM 517 N THR A 33 -11.677 -16.121 -2.725 1.00 0.00 N ATOM 518 CA THR A 33 -11.046 -16.397 -1.404 1.00 0.00 C ATOM 519 C THR A 33 -10.322 -17.744 -1.448 1.00 0.00 C ATOM 520 O THR A 33 -9.397 -17.986 -0.698 1.00 0.00 O ATOM 521 CB THR A 33 -12.129 -16.433 -0.323 1.00 0.00 C ATOM 522 OG1 THR A 33 -13.085 -17.434 -0.645 1.00 0.00 O ATOM 523 CG2 THR A 33 -12.819 -15.070 -0.250 1.00 0.00 C ATOM 0 H THR A 33 -12.693 -16.211 -2.748 1.00 0.00 H new ATOM 0 HA THR A 33 -10.326 -15.611 -1.175 1.00 0.00 H new ATOM 0 HB THR A 33 -11.675 -16.662 0.641 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.778 -17.459 0.047 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.591 -15.094 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.085 -14.303 -0.004 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.274 -14.841 -1.213 1.00 0.00 H new ATOM 531 N GLU A 34 -10.731 -18.625 -2.320 1.00 0.00 N ATOM 532 CA GLU A 34 -10.059 -19.953 -2.405 1.00 0.00 C ATOM 533 C GLU A 34 -9.035 -19.934 -3.542 1.00 0.00 C ATOM 534 O GLU A 34 -8.252 -20.850 -3.700 1.00 0.00 O ATOM 535 CB GLU A 34 -11.104 -21.036 -2.676 1.00 0.00 C ATOM 536 CG GLU A 34 -11.917 -21.297 -1.406 1.00 0.00 C ATOM 537 CD GLU A 34 -13.094 -22.216 -1.734 1.00 0.00 C ATOM 538 OE1 GLU A 34 -13.381 -22.382 -2.909 1.00 0.00 O ATOM 539 OE2 GLU A 34 -13.689 -22.740 -0.807 1.00 0.00 O ATOM 0 H GLU A 34 -11.499 -18.483 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.552 -20.166 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.765 -20.723 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.615 -21.954 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.285 -21.755 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.281 -20.356 -0.994 1.00 0.00 H new ATOM 546 N VAL A 35 -9.036 -18.898 -4.338 1.00 0.00 N ATOM 547 CA VAL A 35 -8.065 -18.820 -5.464 1.00 0.00 C ATOM 548 C VAL A 35 -6.670 -18.507 -4.919 1.00 0.00 C ATOM 549 O VAL A 35 -5.677 -19.018 -5.396 1.00 0.00 O ATOM 550 CB VAL A 35 -8.500 -17.717 -6.428 1.00 0.00 C ATOM 551 CG1 VAL A 35 -7.357 -17.389 -7.390 1.00 0.00 C ATOM 552 CG2 VAL A 35 -9.718 -18.186 -7.228 1.00 0.00 C ATOM 0 H VAL A 35 -9.669 -18.102 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.038 -19.774 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.759 -16.825 -5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.673 -16.602 -8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.490 -17.050 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.093 -18.281 -7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.027 -17.398 -7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.459 -19.081 -7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.536 -18.413 -6.545 1.00 0.00 H new ATOM 562 N ALA A 36 -6.589 -17.668 -3.925 1.00 0.00 N ATOM 563 CA ALA A 36 -5.259 -17.318 -3.349 1.00 0.00 C ATOM 564 C ALA A 36 -4.716 -18.511 -2.561 1.00 0.00 C ATOM 565 O ALA A 36 -3.521 -18.702 -2.450 1.00 0.00 O ATOM 566 CB ALA A 36 -5.409 -16.118 -2.410 1.00 0.00 C ATOM 0 H ALA A 36 -7.386 -17.208 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.569 -17.067 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.437 -15.862 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.799 -15.266 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.098 -16.370 -1.604 1.00 0.00 H new ATOM 572 N LYS A 37 -5.585 -19.312 -2.010 1.00 0.00 N ATOM 573 CA LYS A 37 -5.127 -20.489 -1.226 1.00 0.00 C ATOM 574 C LYS A 37 -4.509 -21.525 -2.171 1.00 0.00 C ATOM 575 O LYS A 37 -3.349 -21.869 -2.061 1.00 0.00 O ATOM 576 CB LYS A 37 -6.331 -21.075 -0.481 1.00 0.00 C ATOM 577 CG LYS A 37 -6.198 -22.595 -0.320 1.00 0.00 C ATOM 578 CD LYS A 37 -4.859 -22.922 0.344 1.00 0.00 C ATOM 579 CE LYS A 37 -5.099 -23.343 1.794 1.00 0.00 C ATOM 580 NZ LYS A 37 -5.153 -22.132 2.661 1.00 0.00 N ATOM 0 H LYS A 37 -6.597 -19.200 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.367 -20.195 -0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.417 -20.609 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.247 -20.843 -1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.019 -22.981 0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.262 -23.082 -1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.357 -23.722 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.202 -22.053 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.032 -23.901 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.302 -24.007 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.413 -22.193 3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.998 -21.283 2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.085 -22.074 3.118 1.00 0.00 H new ATOM 594 N ARG A 38 -5.279 -22.022 -3.093 1.00 0.00 N ATOM 595 CA ARG A 38 -4.748 -23.035 -4.046 1.00 0.00 C ATOM 596 C ARG A 38 -3.689 -22.393 -4.945 1.00 0.00 C ATOM 597 O ARG A 38 -2.909 -23.071 -5.584 1.00 0.00 O ATOM 598 CB ARG A 38 -5.896 -23.564 -4.908 1.00 0.00 C ATOM 599 CG ARG A 38 -6.113 -25.051 -4.617 1.00 0.00 C ATOM 600 CD ARG A 38 -6.605 -25.225 -3.176 1.00 0.00 C ATOM 601 NE ARG A 38 -7.561 -26.368 -3.111 1.00 0.00 N ATOM 602 CZ ARG A 38 -7.463 -27.248 -2.152 1.00 0.00 C ATOM 603 NH1 ARG A 38 -6.874 -26.930 -1.032 1.00 0.00 N ATOM 604 NH2 ARG A 38 -7.953 -28.448 -2.314 1.00 0.00 N ATOM 0 H ARG A 38 -6.258 -21.770 -3.230 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.296 -23.856 -3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.808 -23.005 -4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.668 -23.419 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.842 -25.466 -5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.183 -25.600 -4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.760 -25.406 -2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.090 -24.311 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.292 -26.462 -3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.490 -25.994 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.798 -27.618 -0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.412 -28.697 -3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.876 -29.136 -1.565 1.00 0.00 H new ATOM 618 N GLY A 39 -3.653 -21.090 -5.000 1.00 0.00 N ATOM 619 CA GLY A 39 -2.642 -20.411 -5.858 1.00 0.00 C ATOM 620 C GLY A 39 -1.291 -20.395 -5.142 1.00 0.00 C ATOM 621 O GLY A 39 -0.248 -20.405 -5.763 1.00 0.00 O ATOM 0 H GLY A 39 -4.279 -20.467 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.553 -20.929 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.961 -19.392 -6.077 1.00 0.00 H new ATOM 625 N GLY A 40 -1.302 -20.370 -3.837 1.00 0.00 N ATOM 626 CA GLY A 40 -0.017 -20.354 -3.082 1.00 0.00 C ATOM 627 C GLY A 40 0.671 -21.713 -3.212 1.00 0.00 C ATOM 628 O GLY A 40 1.876 -21.821 -3.095 1.00 0.00 O ATOM 0 H GLY A 40 -2.144 -20.360 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.633 -19.568 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.203 -20.128 -2.032 1.00 0.00 H new ATOM 632 N GLU A 41 -0.081 -22.752 -3.454 1.00 0.00 N ATOM 633 CA GLU A 41 0.537 -24.100 -3.592 1.00 0.00 C ATOM 634 C GLU A 41 1.720 -24.025 -4.562 1.00 0.00 C ATOM 635 O GLU A 41 2.779 -24.563 -4.308 1.00 0.00 O ATOM 636 CB GLU A 41 -0.502 -25.091 -4.116 1.00 0.00 C ATOM 637 CG GLU A 41 -0.697 -24.903 -5.625 1.00 0.00 C ATOM 638 CD GLU A 41 -1.788 -25.854 -6.120 1.00 0.00 C ATOM 639 OE1 GLU A 41 -1.964 -26.893 -5.506 1.00 0.00 O ATOM 640 OE2 GLU A 41 -2.428 -25.528 -7.107 1.00 0.00 O ATOM 0 H GLU A 41 -1.095 -22.725 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 41 0.892 -24.437 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.180 -26.111 -3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.450 -24.944 -3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.974 -23.871 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.238 -25.099 -6.151 1.00 0.00 H new ATOM 647 N LEU A 42 1.546 -23.361 -5.671 1.00 0.00 N ATOM 648 CA LEU A 42 2.654 -23.249 -6.655 1.00 0.00 C ATOM 649 C LEU A 42 3.653 -22.190 -6.183 1.00 0.00 C ATOM 650 O LEU A 42 4.845 -22.307 -6.392 1.00 0.00 O ATOM 651 CB LEU A 42 2.082 -22.849 -8.014 1.00 0.00 C ATOM 652 CG LEU A 42 1.661 -24.106 -8.776 1.00 0.00 C ATOM 653 CD1 LEU A 42 1.060 -23.712 -10.126 1.00 0.00 C ATOM 654 CD2 LEU A 42 2.885 -24.995 -9.001 1.00 0.00 C ATOM 0 H LEU A 42 0.681 -22.891 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 42 3.164 -24.208 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.226 -22.187 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.827 -22.296 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 42 0.916 -24.650 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.761 -24.610 -10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.188 -23.078 -9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.802 -23.167 -10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.588 -25.892 -9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.629 -24.449 -9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.311 -25.278 -8.038 1.00 0.00 H new ATOM 666 N TRP A 43 3.178 -21.155 -5.544 1.00 0.00 N ATOM 667 CA TRP A 43 4.098 -20.091 -5.057 1.00 0.00 C ATOM 668 C TRP A 43 5.084 -20.688 -4.050 1.00 0.00 C ATOM 669 O TRP A 43 6.083 -20.086 -3.712 1.00 0.00 O ATOM 670 CB TRP A 43 3.289 -18.989 -4.373 1.00 0.00 C ATOM 671 CG TRP A 43 4.224 -18.010 -3.743 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.587 -18.008 -2.439 1.00 0.00 C ATOM 673 CD2 TRP A 43 4.924 -16.894 -4.365 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.462 -16.959 -2.221 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.701 -16.243 -3.378 1.00 0.00 C ATOM 676 CE3 TRP A 43 4.958 -16.390 -5.676 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.484 -15.128 -3.683 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.744 -15.270 -5.987 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.507 -14.641 -4.992 1.00 0.00 C ATOM 0 H TRP A 43 2.191 -21.002 -5.339 1.00 0.00 H new ATOM 0 HA TRP A 43 4.645 -19.674 -5.903 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.652 -18.485 -5.100 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.632 -19.420 -3.618 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.249 -18.710 -1.691 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.880 -16.741 -1.316 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.375 -16.868 -6.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.067 -14.646 -2.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.762 -14.890 -6.998 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.112 -13.781 -5.238 1.00 0.00 H new ATOM 690 N ARG A 44 4.807 -21.868 -3.564 1.00 0.00 N ATOM 691 CA ARG A 44 5.725 -22.501 -2.575 1.00 0.00 C ATOM 692 C ARG A 44 7.100 -22.706 -3.213 1.00 0.00 C ATOM 693 O ARG A 44 8.093 -22.179 -2.753 1.00 0.00 O ATOM 694 CB ARG A 44 5.155 -23.854 -2.145 1.00 0.00 C ATOM 695 CG ARG A 44 5.088 -23.922 -0.617 1.00 0.00 C ATOM 696 CD ARG A 44 5.436 -25.338 -0.154 1.00 0.00 C ATOM 697 NE ARG A 44 4.185 -26.084 0.155 1.00 0.00 N ATOM 698 CZ ARG A 44 4.250 -27.267 0.706 1.00 0.00 C ATOM 699 NH1 ARG A 44 5.191 -27.531 1.571 1.00 0.00 N ATOM 700 NH2 ARG A 44 3.376 -28.183 0.393 1.00 0.00 N ATOM 0 H ARG A 44 3.985 -22.420 -3.809 1.00 0.00 H new ATOM 0 HA ARG A 44 5.823 -21.854 -1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.160 -23.992 -2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.780 -24.661 -2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.782 -23.204 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.090 -23.651 -0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.999 -25.857 -0.930 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.074 -25.296 0.729 1.00 0.00 H new ATOM 0 HE ARG A 44 3.278 -25.672 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.874 -26.814 1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.243 -28.454 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.640 -27.976 -0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.428 -29.106 0.824 1.00 0.00 H new ATOM 714 N ALA A 45 7.167 -23.466 -4.272 1.00 0.00 N ATOM 715 CA ALA A 45 8.480 -23.699 -4.938 1.00 0.00 C ATOM 716 C ALA A 45 9.111 -22.351 -5.281 1.00 0.00 C ATOM 717 O ALA A 45 10.317 -22.203 -5.285 1.00 0.00 O ATOM 718 CB ALA A 45 8.271 -24.505 -6.222 1.00 0.00 C ATOM 0 H ALA A 45 6.371 -23.935 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 45 9.136 -24.255 -4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.233 -24.674 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.814 -25.464 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.617 -23.952 -6.896 1.00 0.00 H new ATOM 724 N MET A 46 8.294 -21.374 -5.581 1.00 0.00 N ATOM 725 CA MET A 46 8.811 -20.016 -5.939 1.00 0.00 C ATOM 726 C MET A 46 10.116 -19.691 -5.197 1.00 0.00 C ATOM 727 O MET A 46 10.971 -19.031 -5.742 1.00 0.00 O ATOM 728 CB MET A 46 7.769 -18.973 -5.555 1.00 0.00 C ATOM 729 CG MET A 46 8.170 -17.608 -6.122 1.00 0.00 C ATOM 730 SD MET A 46 8.421 -17.736 -7.911 1.00 0.00 S ATOM 731 CE MET A 46 6.762 -17.225 -8.417 1.00 0.00 C ATOM 0 H MET A 46 7.278 -21.459 -5.594 1.00 0.00 H new ATOM 0 HA MET A 46 9.009 -20.004 -7.011 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.791 -19.264 -5.939 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.681 -18.915 -4.470 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.395 -16.872 -5.906 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.084 -17.259 -5.641 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.684 -17.267 -9.503 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.024 -17.894 -7.974 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.577 -16.205 -8.080 1.00 0.00 H new ATOM 741 N LYS A 47 10.268 -20.167 -3.978 1.00 0.00 N ATOM 742 CA LYS A 47 11.502 -19.935 -3.170 1.00 0.00 C ATOM 743 C LYS A 47 12.287 -18.694 -3.629 1.00 0.00 C ATOM 744 O LYS A 47 12.233 -17.658 -2.999 1.00 0.00 O ATOM 745 CB LYS A 47 12.331 -21.194 -3.295 1.00 0.00 C ATOM 746 CG LYS A 47 13.129 -21.428 -2.009 1.00 0.00 C ATOM 747 CD LYS A 47 13.902 -22.745 -2.115 1.00 0.00 C ATOM 748 CE LYS A 47 15.340 -22.462 -2.550 1.00 0.00 C ATOM 749 NZ LYS A 47 15.928 -23.691 -3.153 1.00 0.00 N ATOM 0 H LYS A 47 9.560 -20.724 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 47 11.241 -19.731 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.682 -22.048 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.010 -21.109 -4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.820 -20.602 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.456 -21.458 -1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.897 -23.260 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.417 -23.406 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.359 -21.645 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.934 -22.144 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.906 -23.499 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.923 -24.458 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.366 -23.975 -3.980 1.00 0.00 H new ATOM 763 N ASP A 48 13.009 -18.777 -4.714 1.00 0.00 N ATOM 764 CA ASP A 48 13.770 -17.584 -5.182 1.00 0.00 C ATOM 765 C ASP A 48 12.798 -16.620 -5.870 1.00 0.00 C ATOM 766 O ASP A 48 12.681 -16.592 -7.080 1.00 0.00 O ATOM 767 CB ASP A 48 14.851 -18.022 -6.173 1.00 0.00 C ATOM 768 CG ASP A 48 16.170 -18.240 -5.430 1.00 0.00 C ATOM 769 OD1 ASP A 48 16.126 -18.743 -4.320 1.00 0.00 O ATOM 770 OD2 ASP A 48 17.202 -17.901 -5.986 1.00 0.00 O ATOM 0 H ASP A 48 13.104 -19.612 -5.292 1.00 0.00 H new ATOM 0 HA ASP A 48 14.245 -17.089 -4.335 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.548 -18.941 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.978 -17.264 -6.946 1.00 0.00 H new ATOM 775 N LYS A 49 12.089 -15.838 -5.099 1.00 0.00 N ATOM 776 CA LYS A 49 11.107 -14.881 -5.689 1.00 0.00 C ATOM 777 C LYS A 49 11.799 -13.553 -5.998 1.00 0.00 C ATOM 778 O LYS A 49 11.157 -12.566 -6.299 1.00 0.00 O ATOM 779 CB LYS A 49 9.957 -14.632 -4.699 1.00 0.00 C ATOM 780 CG LYS A 49 9.832 -15.808 -3.722 1.00 0.00 C ATOM 781 CD LYS A 49 10.461 -15.424 -2.379 1.00 0.00 C ATOM 782 CE LYS A 49 10.260 -16.562 -1.376 1.00 0.00 C ATOM 783 NZ LYS A 49 11.162 -16.356 -0.207 1.00 0.00 N ATOM 0 H LYS A 49 12.148 -15.821 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 49 10.709 -15.309 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.136 -13.709 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.022 -14.501 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.783 -16.070 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.329 -16.688 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.524 -15.223 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.007 -14.508 -2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.221 -16.593 -1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.473 -17.521 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.027 -17.129 0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.151 -16.347 -0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.938 -15.448 0.248 1.00 0.00 H new ATOM 797 N SER A 50 13.103 -13.515 -5.934 1.00 0.00 N ATOM 798 CA SER A 50 13.822 -12.244 -6.233 1.00 0.00 C ATOM 799 C SER A 50 13.267 -11.644 -7.528 1.00 0.00 C ATOM 800 O SER A 50 13.357 -10.456 -7.763 1.00 0.00 O ATOM 801 CB SER A 50 15.318 -12.522 -6.396 1.00 0.00 C ATOM 802 OG SER A 50 15.504 -13.871 -6.803 1.00 0.00 O ATOM 0 H SER A 50 13.699 -14.306 -5.689 1.00 0.00 H new ATOM 0 HA SER A 50 13.677 -11.542 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.747 -11.845 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.838 -12.339 -5.456 1.00 0.00 H new ATOM 0 HG SER A 50 16.461 -14.051 -6.910 1.00 0.00 H new ATOM 808 N GLU A 51 12.686 -12.461 -8.365 1.00 0.00 N ATOM 809 CA GLU A 51 12.115 -11.946 -9.636 1.00 0.00 C ATOM 810 C GLU A 51 11.049 -10.904 -9.322 1.00 0.00 C ATOM 811 O GLU A 51 11.199 -9.726 -9.594 1.00 0.00 O ATOM 812 CB GLU A 51 11.489 -13.100 -10.396 1.00 0.00 C ATOM 813 CG GLU A 51 10.545 -12.571 -11.481 1.00 0.00 C ATOM 814 CD GLU A 51 9.996 -13.743 -12.295 1.00 0.00 C ATOM 815 OE1 GLU A 51 10.336 -14.870 -11.976 1.00 0.00 O ATOM 816 OE2 GLU A 51 9.244 -13.493 -13.222 1.00 0.00 O ATOM 0 H GLU A 51 12.584 -13.465 -8.220 1.00 0.00 H new ATOM 0 HA GLU A 51 12.899 -11.490 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.269 -13.712 -10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.940 -13.742 -9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.725 -12.015 -11.025 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.076 -11.878 -12.134 1.00 0.00 H new ATOM 823 N TRP A 52 9.969 -11.340 -8.745 1.00 0.00 N ATOM 824 CA TRP A 52 8.876 -10.403 -8.401 1.00 0.00 C ATOM 825 C TRP A 52 9.356 -9.430 -7.342 1.00 0.00 C ATOM 826 O TRP A 52 9.389 -8.248 -7.562 1.00 0.00 O ATOM 827 CB TRP A 52 7.703 -11.185 -7.837 1.00 0.00 C ATOM 828 CG TRP A 52 7.367 -12.299 -8.740 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.758 -13.556 -8.551 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.575 -12.282 -9.950 1.00 0.00 C ATOM 831 NE1 TRP A 52 7.251 -14.341 -9.568 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.509 -13.594 -10.462 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.912 -11.264 -10.640 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.803 -13.888 -11.628 1.00 0.00 C ATOM 835 CZ3 TRP A 52 5.200 -11.546 -11.809 1.00 0.00 C ATOM 836 CH2 TRP A 52 5.141 -12.858 -12.305 1.00 0.00 C ATOM 0 H TRP A 52 9.797 -12.314 -8.496 1.00 0.00 H new ATOM 0 HA TRP A 52 8.574 -9.861 -9.297 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.952 -11.569 -6.848 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.841 -10.529 -7.717 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.372 -13.906 -7.735 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.405 -15.346 -9.649 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.950 -10.251 -10.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.768 -14.900 -12.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.692 -10.750 -12.334 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.586 -13.072 -13.207 1.00 0.00 H new ATOM 847 N GLU A 53 9.703 -9.932 -6.187 1.00 0.00 N ATOM 848 CA GLU A 53 10.166 -9.042 -5.075 1.00 0.00 C ATOM 849 C GLU A 53 10.863 -7.796 -5.629 1.00 0.00 C ATOM 850 O GLU A 53 10.561 -6.686 -5.238 1.00 0.00 O ATOM 851 CB GLU A 53 11.135 -9.806 -4.171 1.00 0.00 C ATOM 852 CG GLU A 53 10.356 -10.804 -3.312 1.00 0.00 C ATOM 853 CD GLU A 53 10.816 -10.697 -1.857 1.00 0.00 C ATOM 854 OE1 GLU A 53 10.461 -9.723 -1.215 1.00 0.00 O ATOM 855 OE2 GLU A 53 11.516 -11.591 -1.410 1.00 0.00 O ATOM 0 H GLU A 53 9.686 -10.927 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 53 9.294 -8.729 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.875 -10.331 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.680 -9.109 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.287 -10.603 -3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.514 -11.818 -3.680 1.00 0.00 H new ATOM 862 N ALA A 54 11.778 -7.959 -6.542 1.00 0.00 N ATOM 863 CA ALA A 54 12.461 -6.767 -7.113 1.00 0.00 C ATOM 864 C ALA A 54 11.432 -5.933 -7.874 1.00 0.00 C ATOM 865 O ALA A 54 11.316 -4.739 -7.683 1.00 0.00 O ATOM 866 CB ALA A 54 13.569 -7.215 -8.069 1.00 0.00 C ATOM 0 H ALA A 54 12.081 -8.859 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 54 12.904 -6.174 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.067 -6.339 -8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.295 -7.821 -7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.136 -7.804 -8.877 1.00 0.00 H new ATOM 872 N LYS A 55 10.682 -6.562 -8.733 1.00 0.00 N ATOM 873 CA LYS A 55 9.648 -5.825 -9.513 1.00 0.00 C ATOM 874 C LYS A 55 8.747 -5.014 -8.575 1.00 0.00 C ATOM 875 O LYS A 55 8.444 -3.867 -8.836 1.00 0.00 O ATOM 876 CB LYS A 55 8.794 -6.824 -10.291 1.00 0.00 C ATOM 877 CG LYS A 55 9.427 -7.087 -11.658 1.00 0.00 C ATOM 878 CD LYS A 55 8.726 -6.235 -12.719 1.00 0.00 C ATOM 879 CE LYS A 55 9.636 -6.083 -13.939 1.00 0.00 C ATOM 880 NZ LYS A 55 8.808 -6.080 -15.177 1.00 0.00 N ATOM 0 H LYS A 55 10.740 -7.561 -8.930 1.00 0.00 H new ATOM 0 HA LYS A 55 10.147 -5.143 -10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.709 -7.757 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.784 -6.434 -10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.490 -6.849 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.344 -8.144 -11.912 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.785 -6.701 -13.011 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.483 -5.254 -12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.206 -5.157 -13.868 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.357 -6.900 -13.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.426 -5.977 -16.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.283 -6.975 -15.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.137 -5.286 -15.144 1.00 0.00 H new ATOM 894 N ALA A 56 8.312 -5.594 -7.490 1.00 0.00 N ATOM 895 CA ALA A 56 7.431 -4.846 -6.554 1.00 0.00 C ATOM 896 C ALA A 56 8.131 -3.552 -6.143 1.00 0.00 C ATOM 897 O ALA A 56 7.544 -2.488 -6.136 1.00 0.00 O ATOM 898 CB ALA A 56 7.157 -5.699 -5.314 1.00 0.00 C ATOM 0 H ALA A 56 8.529 -6.551 -7.213 1.00 0.00 H new ATOM 0 HA ALA A 56 6.485 -4.614 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.511 -5.149 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.666 -6.625 -5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.099 -5.931 -4.817 1.00 0.00 H new ATOM 904 N ALA A 57 9.389 -3.636 -5.810 1.00 0.00 N ATOM 905 CA ALA A 57 10.139 -2.415 -5.412 1.00 0.00 C ATOM 906 C ALA A 57 10.025 -1.380 -6.529 1.00 0.00 C ATOM 907 O ALA A 57 9.738 -0.223 -6.295 1.00 0.00 O ATOM 908 CB ALA A 57 11.611 -2.772 -5.203 1.00 0.00 C ATOM 0 H ALA A 57 9.930 -4.500 -5.797 1.00 0.00 H new ATOM 0 HA ALA A 57 9.727 -2.011 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.164 -1.879 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.695 -3.524 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.025 -3.168 -6.131 1.00 0.00 H new ATOM 914 N LYS A 58 10.249 -1.793 -7.746 1.00 0.00 N ATOM 915 CA LYS A 58 10.154 -0.840 -8.886 1.00 0.00 C ATOM 916 C LYS A 58 8.838 -0.064 -8.798 1.00 0.00 C ATOM 917 O LYS A 58 8.828 1.149 -8.824 1.00 0.00 O ATOM 918 CB LYS A 58 10.210 -1.615 -10.203 1.00 0.00 C ATOM 919 CG LYS A 58 11.649 -2.057 -10.473 1.00 0.00 C ATOM 920 CD LYS A 58 12.061 -1.618 -11.878 1.00 0.00 C ATOM 921 CE LYS A 58 11.553 -2.638 -12.899 1.00 0.00 C ATOM 922 NZ LYS A 58 11.917 -2.190 -14.274 1.00 0.00 N ATOM 0 H LYS A 58 10.494 -2.750 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 58 10.987 -0.138 -8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.554 -2.484 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.851 -0.990 -11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.320 -1.621 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.732 -3.140 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.651 -0.632 -12.098 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.146 -1.533 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.987 -3.617 -12.697 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.472 -2.745 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.572 -2.883 -14.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.483 -1.264 -14.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.951 -2.109 -14.350 1.00 0.00 H new ATOM 936 N ALA A 59 7.725 -0.743 -8.689 1.00 0.00 N ATOM 937 CA ALA A 59 6.431 -0.009 -8.593 1.00 0.00 C ATOM 938 C ALA A 59 6.483 0.916 -7.387 1.00 0.00 C ATOM 939 O ALA A 59 5.907 1.973 -7.388 1.00 0.00 O ATOM 940 CB ALA A 59 5.269 -0.989 -8.407 1.00 0.00 C ATOM 0 H ALA A 59 7.657 -1.760 -8.663 1.00 0.00 H new ATOM 0 HA ALA A 59 6.276 0.557 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.333 -0.435 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.227 -1.669 -9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.419 -1.562 -7.492 1.00 0.00 H new ATOM 946 N LYS A 60 7.169 0.516 -6.357 1.00 0.00 N ATOM 947 CA LYS A 60 7.257 1.352 -5.144 1.00 0.00 C ATOM 948 C LYS A 60 7.855 2.708 -5.484 1.00 0.00 C ATOM 949 O LYS A 60 7.342 3.734 -5.108 1.00 0.00 O ATOM 950 CB LYS A 60 8.159 0.638 -4.156 1.00 0.00 C ATOM 951 CG LYS A 60 7.450 0.509 -2.808 1.00 0.00 C ATOM 952 CD LYS A 60 7.958 1.596 -1.859 1.00 0.00 C ATOM 953 CE LYS A 60 9.162 1.066 -1.081 1.00 0.00 C ATOM 954 NZ LYS A 60 9.374 1.900 0.135 1.00 0.00 N ATOM 0 H LYS A 60 7.677 -0.367 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 60 6.264 1.508 -4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.420 -0.350 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.091 1.190 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.372 0.602 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.634 -0.477 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.238 2.485 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.167 1.892 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.996 0.027 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.052 1.087 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.193 1.540 0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.550 2.886 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.527 1.858 0.737 1.00 0.00 H new ATOM 968 N ASP A 61 8.948 2.717 -6.180 1.00 0.00 N ATOM 969 CA ASP A 61 9.585 4.017 -6.535 1.00 0.00 C ATOM 970 C ASP A 61 8.682 4.787 -7.506 1.00 0.00 C ATOM 971 O ASP A 61 8.413 5.958 -7.323 1.00 0.00 O ATOM 972 CB ASP A 61 10.949 3.751 -7.184 1.00 0.00 C ATOM 973 CG ASP A 61 11.425 5.000 -7.931 1.00 0.00 C ATOM 974 OD1 ASP A 61 11.002 5.189 -9.060 1.00 0.00 O ATOM 975 OD2 ASP A 61 12.205 5.746 -7.362 1.00 0.00 O ATOM 0 H ASP A 61 9.431 1.886 -6.521 1.00 0.00 H new ATOM 0 HA ASP A 61 9.725 4.615 -5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.676 3.474 -6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.875 2.910 -7.874 1.00 0.00 H new ATOM 980 N ASP A 62 8.216 4.140 -8.533 1.00 0.00 N ATOM 981 CA ASP A 62 7.332 4.826 -9.518 1.00 0.00 C ATOM 982 C ASP A 62 5.947 5.045 -8.907 1.00 0.00 C ATOM 983 O ASP A 62 5.092 5.682 -9.488 1.00 0.00 O ATOM 984 CB ASP A 62 7.194 3.936 -10.751 1.00 0.00 C ATOM 985 CG ASP A 62 8.569 3.725 -11.388 1.00 0.00 C ATOM 986 OD1 ASP A 62 9.342 4.668 -11.406 1.00 0.00 O ATOM 987 OD2 ASP A 62 8.825 2.624 -11.847 1.00 0.00 O ATOM 0 H ASP A 62 8.409 3.159 -8.736 1.00 0.00 H new ATOM 0 HA ASP A 62 7.763 5.790 -9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.760 2.976 -10.472 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.516 4.396 -11.470 1.00 0.00 H new ATOM 992 N TYR A 63 5.715 4.498 -7.749 1.00 0.00 N ATOM 993 CA TYR A 63 4.386 4.639 -7.098 1.00 0.00 C ATOM 994 C TYR A 63 4.397 5.790 -6.086 1.00 0.00 C ATOM 995 O TYR A 63 3.449 6.536 -5.979 1.00 0.00 O ATOM 996 CB TYR A 63 4.082 3.333 -6.386 1.00 0.00 C ATOM 997 CG TYR A 63 2.938 3.523 -5.448 1.00 0.00 C ATOM 998 CD1 TYR A 63 1.647 3.681 -5.949 1.00 0.00 C ATOM 999 CD2 TYR A 63 3.172 3.529 -4.077 1.00 0.00 C ATOM 1000 CE1 TYR A 63 0.578 3.843 -5.071 1.00 0.00 C ATOM 1001 CE2 TYR A 63 2.106 3.691 -3.192 1.00 0.00 C ATOM 1002 CZ TYR A 63 0.804 3.847 -3.687 1.00 0.00 C ATOM 1003 OH TYR A 63 -0.254 4.009 -2.815 1.00 0.00 O ATOM 0 H TYR A 63 6.397 3.954 -7.220 1.00 0.00 H new ATOM 0 HA TYR A 63 3.626 4.860 -7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.842 2.558 -7.114 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.961 2.994 -5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.476 3.678 -7.015 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.176 3.409 -3.699 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.424 3.965 -5.456 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.284 3.696 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 63 0.076 3.987 -1.893 1.00 0.00 H new ATOM 1013 N ASP A 64 5.451 5.939 -5.342 1.00 0.00 N ATOM 1014 CA ASP A 64 5.508 7.039 -4.349 1.00 0.00 C ATOM 1015 C ASP A 64 5.643 8.354 -5.094 1.00 0.00 C ATOM 1016 O ASP A 64 5.091 9.369 -4.718 1.00 0.00 O ATOM 1017 CB ASP A 64 6.718 6.842 -3.462 1.00 0.00 C ATOM 1018 CG ASP A 64 6.589 7.706 -2.207 1.00 0.00 C ATOM 1019 OD1 ASP A 64 6.349 8.893 -2.352 1.00 0.00 O ATOM 1020 OD2 ASP A 64 6.732 7.166 -1.122 1.00 0.00 O ATOM 0 H ASP A 64 6.279 5.344 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 64 4.605 7.045 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.809 5.792 -3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.625 7.107 -4.005 1.00 0.00 H new ATOM 1025 N ARG A 65 6.393 8.331 -6.152 1.00 0.00 N ATOM 1026 CA ARG A 65 6.602 9.564 -6.948 1.00 0.00 C ATOM 1027 C ARG A 65 5.369 9.861 -7.808 1.00 0.00 C ATOM 1028 O ARG A 65 4.985 11.000 -7.988 1.00 0.00 O ATOM 1029 CB ARG A 65 7.817 9.383 -7.859 1.00 0.00 C ATOM 1030 CG ARG A 65 8.448 10.749 -8.140 1.00 0.00 C ATOM 1031 CD ARG A 65 9.476 10.620 -9.265 1.00 0.00 C ATOM 1032 NE ARG A 65 10.383 11.803 -9.246 1.00 0.00 N ATOM 1033 CZ ARG A 65 10.910 12.240 -10.356 1.00 0.00 C ATOM 1034 NH1 ARG A 65 11.984 11.673 -10.835 1.00 0.00 N ATOM 1035 NH2 ARG A 65 10.367 13.244 -10.986 1.00 0.00 N ATOM 0 H ARG A 65 6.875 7.503 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 65 6.769 10.397 -6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.545 8.724 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.517 8.909 -8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.676 11.466 -8.420 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.927 11.132 -7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.053 9.704 -9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.970 10.551 -10.228 1.00 0.00 H new ATOM 0 HE ARG A 65 10.592 12.271 -8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.410 10.889 -10.341 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.397 12.014 -11.703 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.529 13.689 -10.611 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.780 13.585 -11.854 1.00 0.00 H new