USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 433 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 13 TYR OH : rot 0:sc= -1.96! USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -0.151 F(o=-2.6,f=-2.1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0154) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= 0.892 F(o=-0.76,f=0.89) USER MOD Single : A 17 ASN :FLIP amide:sc= -2.72! C(o=-5.8!,f=-2.7!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.15 USER MOD Single : A 24 ASN : amide:sc= -1.54! C(o=-1.5!,f=-4.8!) USER MOD Single : A 29 ASN : amide:sc= -1.21! C(o=-1.2!,f=-4.1!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 32 LYS NZ :NH3+ 139:sc= -1.54 (180deg=-3.73!) USER MOD Single : A 33 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.034) USER MOD Single : A 38 THR OG1 : rot 73:sc= 1.05 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -62:sc= -6.59! USER MOD Single : A 61 THR OG1 : rot -64:sc= 0.988 USER MOD Single : A 63 MET CE :methyl 142:sc= -9.06! (180deg=-12.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 6.233 -2.172 9.056 1.00 0.00 N ATOM 105 CA GLU A 8 6.255 -0.830 8.487 1.00 0.00 C ATOM 106 C GLU A 8 4.847 -0.364 8.133 1.00 0.00 C ATOM 107 O GLU A 8 4.325 -0.690 7.068 1.00 0.00 O ATOM 108 CB GLU A 8 7.144 -0.797 7.243 1.00 0.00 C ATOM 109 CG GLU A 8 7.807 0.549 7.005 1.00 0.00 C ATOM 110 CD GLU A 8 8.207 0.753 5.556 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.861 -0.146 4.988 1.00 0.00 O ATOM 112 OE2 GLU A 8 7.866 1.813 4.990 1.00 0.00 O ATOM 0 HA GLU A 8 6.663 -0.152 9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.916 -1.561 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.544 -1.056 6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.125 1.344 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.691 0.632 7.637 1.00 0.00 H new ATOM 119 N LYS A 9 4.238 0.403 9.033 1.00 0.00 N ATOM 120 CA LYS A 9 2.890 0.914 8.811 1.00 0.00 C ATOM 121 C LYS A 9 2.910 2.421 8.576 1.00 0.00 C ATOM 122 O LYS A 9 3.410 3.184 9.403 1.00 0.00 O ATOM 123 CB LYS A 9 1.988 0.575 10.004 1.00 0.00 C ATOM 124 CG LYS A 9 1.953 1.654 11.078 1.00 0.00 C ATOM 125 CD LYS A 9 0.930 2.729 10.753 1.00 0.00 C ATOM 126 CE LYS A 9 1.471 4.120 11.040 1.00 0.00 C ATOM 127 NZ LYS A 9 0.896 4.695 12.286 1.00 0.00 N ATOM 0 H LYS A 9 4.656 0.683 9.920 1.00 0.00 H new ATOM 0 HA LYS A 9 2.488 0.435 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.974 0.403 9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.330 -0.358 10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.715 1.203 12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.940 2.106 11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.647 2.657 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.026 2.561 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.557 4.076 11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.246 4.777 10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.291 5.644 12.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.138 4.762 12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.132 4.082 13.092 1.00 0.00 H new ATOM 141 N LYS A 10 2.359 2.839 7.444 1.00 0.00 N ATOM 142 CA LYS A 10 2.303 4.251 7.090 1.00 0.00 C ATOM 143 C LYS A 10 0.919 4.610 6.567 1.00 0.00 C ATOM 144 O LYS A 10 -0.027 3.833 6.708 1.00 0.00 O ATOM 145 CB LYS A 10 3.362 4.578 6.035 1.00 0.00 C ATOM 146 CG LYS A 10 4.411 5.568 6.512 1.00 0.00 C ATOM 147 CD LYS A 10 4.790 5.321 7.964 1.00 0.00 C ATOM 148 CE LYS A 10 6.203 5.795 8.260 1.00 0.00 C ATOM 149 NZ LYS A 10 6.226 7.190 8.780 1.00 0.00 N ATOM 0 H LYS A 10 1.942 2.216 6.752 1.00 0.00 H new ATOM 0 HA LYS A 10 2.505 4.840 7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.857 3.656 5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.869 4.982 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.299 5.490 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.031 6.584 6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.087 5.838 8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.708 4.257 8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.664 5.129 8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.803 5.737 7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.210 7.522 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.691 7.809 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.793 7.215 9.725 1.00 0.00 H new ATOM 163 N GLU A 11 0.801 5.783 5.959 1.00 0.00 N ATOM 164 CA GLU A 11 -0.475 6.228 5.416 1.00 0.00 C ATOM 165 C GLU A 11 -0.692 5.657 4.021 1.00 0.00 C ATOM 166 O GLU A 11 0.181 5.749 3.158 1.00 0.00 O ATOM 167 CB GLU A 11 -0.536 7.755 5.373 1.00 0.00 C ATOM 168 CG GLU A 11 0.456 8.430 6.306 1.00 0.00 C ATOM 169 CD GLU A 11 -0.124 9.657 6.983 1.00 0.00 C ATOM 170 OE1 GLU A 11 -0.844 9.494 7.991 1.00 0.00 O ATOM 171 OE2 GLU A 11 0.142 10.780 6.505 1.00 0.00 O ATOM 0 H GLU A 11 1.570 6.441 5.830 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.268 5.864 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.348 8.089 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.544 8.078 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.777 7.718 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.344 8.716 5.742 1.00 0.00 H new ATOM 178 N CYS A 12 -1.861 5.066 3.804 1.00 0.00 N ATOM 179 CA CYS A 12 -2.189 4.480 2.513 1.00 0.00 C ATOM 180 C CYS A 12 -2.557 5.565 1.510 1.00 0.00 C ATOM 181 O CYS A 12 -2.915 6.680 1.889 1.00 0.00 O ATOM 182 CB CYS A 12 -3.338 3.480 2.657 1.00 0.00 C ATOM 183 SG CYS A 12 -3.717 2.561 1.131 1.00 0.00 S ATOM 0 H CYS A 12 -2.596 4.981 4.506 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.310 3.951 2.144 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.090 2.769 3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.232 4.014 2.979 1.00 0.00 H new ATOM 188 N TYR A 13 -2.458 5.239 0.226 1.00 0.00 N ATOM 189 CA TYR A 13 -2.778 6.196 -0.825 1.00 0.00 C ATOM 190 C TYR A 13 -3.590 5.538 -1.933 1.00 0.00 C ATOM 191 O TYR A 13 -3.078 4.698 -2.672 1.00 0.00 O ATOM 192 CB TYR A 13 -1.507 6.786 -1.438 1.00 0.00 C ATOM 193 CG TYR A 13 -0.901 7.940 -0.661 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.546 7.786 0.671 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.689 9.183 -1.259 1.00 0.00 C ATOM 196 CE1 TYR A 13 0.002 8.829 1.391 1.00 0.00 C ATOM 197 CE2 TYR A 13 -0.145 10.232 -0.542 1.00 0.00 C ATOM 198 CZ TYR A 13 0.199 10.051 0.781 1.00 0.00 C ATOM 199 OH TYR A 13 0.740 11.093 1.497 1.00 0.00 O ATOM 0 H TYR A 13 -2.160 4.323 -0.111 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.364 6.992 -0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.762 5.995 -1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.732 7.126 -2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.701 6.833 1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.954 9.327 -2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.275 8.689 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.010 11.190 -1.016 1.00 0.00 H new ATOM 0 HH TYR A 13 0.924 10.799 2.414 1.00 0.00 H new ATOM 209 N TYR A 14 -4.846 5.940 -2.065 1.00 0.00 N ATOM 210 CA TYR A 14 -5.702 5.400 -3.111 1.00 0.00 C ATOM 211 C TYR A 14 -5.618 6.273 -4.360 1.00 0.00 C ATOM 212 O TYR A 14 -6.307 6.027 -5.350 1.00 0.00 O ATOM 213 CB TYR A 14 -7.149 5.317 -2.628 1.00 0.00 C ATOM 214 CG TYR A 14 -7.378 4.273 -1.557 1.00 0.00 C ATOM 215 CD1 TYR A 14 -6.431 3.289 -1.302 1.00 0.00 C ATOM 216 CD2 TYR A 14 -8.542 4.274 -0.800 1.00 0.00 C ATOM 217 CE1 TYR A 14 -6.639 2.335 -0.324 1.00 0.00 C ATOM 218 CE2 TYR A 14 -8.757 3.325 0.180 1.00 0.00 C ATOM 219 CZ TYR A 14 -7.803 2.358 0.414 1.00 0.00 C ATOM 220 OH TYR A 14 -8.013 1.412 1.389 1.00 0.00 O ATOM 0 H TYR A 14 -5.293 6.634 -1.465 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.358 4.395 -3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.450 6.291 -2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.794 5.098 -3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.517 3.269 -1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.292 5.030 -0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.894 1.576 -0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.668 3.340 0.760 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.881 1.570 1.816 1.00 0.00 H new ATOM 230 N ASN A 15 -4.764 7.295 -4.302 1.00 0.00 N ATOM 231 CA ASN A 15 -4.582 8.209 -5.422 1.00 0.00 C ATOM 232 C ASN A 15 -3.340 9.074 -5.223 1.00 0.00 C ATOM 233 O ASN A 15 -3.429 10.293 -5.266 1.00 0.00 O ATOM 234 CB ASN A 15 -5.815 9.099 -5.587 1.00 0.00 C ATOM 235 CG ASN A 15 -6.068 9.475 -7.035 1.00 0.00 C ATOM 236 OD1 ASN A 15 -6.500 8.506 -7.831 1.00 0.00 O flip ATOM 237 ND2 ASN A 15 -5.875 10.625 -7.431 1.00 0.00 N flip ATOM 0 H ASN A 15 -4.188 7.508 -3.488 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.448 7.614 -6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.689 8.582 -5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.687 10.006 -4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.542 11.339 -6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.048 10.864 -8.407 1.00 0.00 H new ATOM 244 N LEU A 16 -2.201 8.406 -4.974 1.00 0.00 N ATOM 245 CA LEU A 16 -0.892 9.015 -4.705 1.00 0.00 C ATOM 246 C LEU A 16 -0.196 9.410 -5.982 1.00 0.00 C ATOM 247 O LEU A 16 -0.366 10.526 -6.447 1.00 0.00 O ATOM 248 CB LEU A 16 0.015 7.991 -3.995 1.00 0.00 C ATOM 249 CG LEU A 16 1.513 8.307 -4.024 1.00 0.00 C ATOM 250 CD1 LEU A 16 1.996 8.715 -2.647 1.00 0.00 C ATOM 251 CD2 LEU A 16 2.300 7.105 -4.524 1.00 0.00 C ATOM 0 H LEU A 16 -2.168 7.387 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.064 9.898 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.302 7.911 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.142 7.014 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 16 1.676 9.139 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.063 8.936 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.454 9.602 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.820 7.901 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.363 7.346 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.130 6.257 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.972 6.849 -5.532 1.00 0.00 H new ATOM 263 N ASN A 17 0.576 8.480 -6.519 1.00 0.00 N ATOM 264 CA ASN A 17 1.312 8.648 -7.761 1.00 0.00 C ATOM 265 C ASN A 17 2.791 8.303 -7.627 1.00 0.00 C ATOM 266 O ASN A 17 3.326 7.549 -8.439 1.00 0.00 O ATOM 267 CB ASN A 17 1.131 10.043 -8.350 1.00 0.00 C ATOM 268 CG ASN A 17 -0.253 10.212 -8.966 1.00 0.00 C ATOM 269 OD1 ASN A 17 -1.150 9.249 -8.706 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 -0.516 11.191 -9.665 1.00 0.00 N flip ATOM 0 H ASN A 17 0.712 7.564 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 17 0.880 7.930 -8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.277 10.790 -7.570 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.893 10.221 -9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.196 11.901 -9.838 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.446 11.292 -10.071 1.00 0.00 H new ATOM 277 N ASP A 18 3.458 8.849 -6.619 1.00 0.00 N ATOM 278 CA ASP A 18 4.874 8.570 -6.429 1.00 0.00 C ATOM 279 C ASP A 18 5.414 9.263 -5.188 1.00 0.00 C ATOM 280 O ASP A 18 4.813 10.206 -4.674 1.00 0.00 O ATOM 281 CB ASP A 18 5.667 9.013 -7.659 1.00 0.00 C ATOM 282 CG ASP A 18 6.902 8.164 -7.889 1.00 0.00 C ATOM 283 OD1 ASP A 18 7.490 7.688 -6.895 1.00 0.00 O ATOM 284 OD2 ASP A 18 7.280 7.976 -9.064 1.00 0.00 O ATOM 0 H ASP A 18 3.048 9.479 -5.929 1.00 0.00 H new ATOM 0 HA ASP A 18 4.988 7.495 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.026 8.962 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.963 10.055 -7.541 1.00 0.00 H new ATOM 289 N ALA A 19 6.558 8.786 -4.714 1.00 0.00 N ATOM 290 CA ALA A 19 7.191 9.355 -3.536 1.00 0.00 C ATOM 291 C ALA A 19 7.817 10.707 -3.856 1.00 0.00 C ATOM 292 O ALA A 19 9.019 10.905 -3.679 1.00 0.00 O ATOM 293 CB ALA A 19 8.235 8.395 -2.992 1.00 0.00 C ATOM 0 H ALA A 19 7.066 8.005 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 19 6.428 9.512 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.704 8.830 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.758 7.453 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.993 8.213 -3.753 1.00 0.00 H new ATOM 299 N SER A 20 6.990 11.634 -4.323 1.00 0.00 N ATOM 300 CA SER A 20 7.457 12.973 -4.665 1.00 0.00 C ATOM 301 C SER A 20 6.312 13.818 -5.212 1.00 0.00 C ATOM 302 O SER A 20 6.117 14.963 -4.806 1.00 0.00 O ATOM 303 CB SER A 20 8.597 12.893 -5.680 1.00 0.00 C ATOM 304 OG SER A 20 8.118 12.511 -6.958 1.00 0.00 O ATOM 0 H SER A 20 5.992 11.484 -4.474 1.00 0.00 H new ATOM 0 HA SER A 20 7.831 13.451 -3.759 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.095 13.860 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.342 12.175 -5.338 1.00 0.00 H new ATOM 0 HG SER A 20 8.867 12.469 -7.589 1.00 0.00 H new ATOM 310 N LEU A 21 5.542 13.227 -6.116 1.00 0.00 N ATOM 311 CA LEU A 21 4.387 13.891 -6.707 1.00 0.00 C ATOM 312 C LEU A 21 3.112 13.354 -6.061 1.00 0.00 C ATOM 313 O LEU A 21 2.000 13.633 -6.507 1.00 0.00 O ATOM 314 CB LEU A 21 4.355 13.630 -8.210 1.00 0.00 C ATOM 315 CG LEU A 21 4.818 12.230 -8.612 1.00 0.00 C ATOM 316 CD1 LEU A 21 3.894 11.176 -8.019 1.00 0.00 C ATOM 317 CD2 LEU A 21 4.879 12.101 -10.127 1.00 0.00 C ATOM 0 H LEU A 21 5.699 12.279 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 21 4.457 14.965 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.338 13.782 -8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.985 14.366 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 21 5.821 12.070 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.237 10.184 -8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.903 11.254 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.880 11.333 -8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.211 11.097 -10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.889 12.280 -10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.581 12.833 -10.527 1.00 0.00 H new ATOM 329 N CYS A 22 3.311 12.559 -5.016 1.00 0.00 N ATOM 330 CA CYS A 22 2.243 11.922 -4.269 1.00 0.00 C ATOM 331 C CYS A 22 0.898 12.627 -4.351 1.00 0.00 C ATOM 332 O CYS A 22 0.806 13.841 -4.534 1.00 0.00 O ATOM 333 CB CYS A 22 2.628 11.813 -2.809 1.00 0.00 C ATOM 334 SG CYS A 22 2.932 13.419 -2.000 1.00 0.00 S ATOM 0 H CYS A 22 4.241 12.337 -4.660 1.00 0.00 H new ATOM 0 HA CYS A 22 2.118 10.944 -4.735 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.835 11.292 -2.273 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.525 11.200 -2.725 1.00 0.00 H new ATOM 339 N ASP A 23 -0.137 11.824 -4.147 1.00 0.00 N ATOM 340 CA ASP A 23 -1.515 12.298 -4.123 1.00 0.00 C ATOM 341 C ASP A 23 -2.426 11.444 -3.198 1.00 0.00 C ATOM 342 O ASP A 23 -2.501 10.200 -3.285 1.00 0.00 O ATOM 343 CB ASP A 23 -2.095 12.417 -5.537 1.00 0.00 C ATOM 344 CG ASP A 23 -3.549 12.848 -5.529 1.00 0.00 C ATOM 345 OD1 ASP A 23 -3.898 13.740 -4.728 1.00 0.00 O ATOM 346 OD2 ASP A 23 -4.337 12.291 -6.322 1.00 0.00 O ATOM 0 H ASP A 23 -0.044 10.820 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.491 13.299 -3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.508 13.136 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.006 11.457 -6.046 1.00 0.00 H new ATOM 351 N ASN A 24 -3.119 12.125 -2.292 1.00 0.00 N ATOM 352 CA ASN A 24 -4.008 11.452 -1.352 1.00 0.00 C ATOM 353 C ASN A 24 -5.432 11.982 -1.467 1.00 0.00 C ATOM 354 O ASN A 24 -5.682 12.978 -2.146 1.00 0.00 O ATOM 355 CB ASN A 24 -3.500 11.633 0.080 1.00 0.00 C ATOM 356 CG ASN A 24 -2.616 12.855 0.231 1.00 0.00 C ATOM 357 OD1 ASN A 24 -1.684 13.062 -0.545 1.00 0.00 O ATOM 358 ND2 ASN A 24 -2.905 13.672 1.238 1.00 0.00 N ATOM 0 H ASN A 24 -3.083 13.139 -2.189 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.016 10.390 -1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.351 11.718 0.756 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.942 10.746 0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.344 14.510 1.392 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.688 13.461 1.857 1.00 0.00 H new ATOM 365 N VAL A 25 -6.364 11.308 -0.800 1.00 0.00 N ATOM 366 CA VAL A 25 -7.764 11.712 -0.828 1.00 0.00 C ATOM 367 C VAL A 25 -8.595 10.904 0.162 1.00 0.00 C ATOM 368 O VAL A 25 -9.523 11.425 0.780 1.00 0.00 O ATOM 369 CB VAL A 25 -8.365 11.551 -2.237 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.647 10.087 -2.534 1.00 0.00 C ATOM 371 CG2 VAL A 25 -9.629 12.385 -2.377 1.00 0.00 C ATOM 0 H VAL A 25 -6.174 10.481 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.793 12.764 -0.544 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.638 11.911 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.071 9.994 -3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.718 9.519 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.354 9.697 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.039 12.258 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.363 12.059 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.392 13.436 -2.212 1.00 0.00 H new ATOM 381 N LEU A 26 -8.256 9.628 0.309 1.00 0.00 N ATOM 382 CA LEU A 26 -8.971 8.748 1.224 1.00 0.00 C ATOM 383 C LEU A 26 -8.184 7.466 1.467 1.00 0.00 C ATOM 384 O LEU A 26 -8.212 6.547 0.649 1.00 0.00 O ATOM 385 CB LEU A 26 -10.353 8.410 0.663 1.00 0.00 C ATOM 386 CG LEU A 26 -11.515 9.170 1.304 1.00 0.00 C ATOM 387 CD1 LEU A 26 -12.158 10.111 0.296 1.00 0.00 C ATOM 388 CD2 LEU A 26 -12.543 8.198 1.862 1.00 0.00 C ATOM 0 H LEU A 26 -7.490 9.180 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.089 9.269 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.353 8.613 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.527 7.341 0.785 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.124 9.767 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.983 10.643 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.417 10.829 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.535 9.536 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.363 8.756 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.930 7.575 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.074 7.566 2.616 1.00 0.00 H new ATOM 400 N ALA A 27 -7.476 7.413 2.591 1.00 0.00 N ATOM 401 CA ALA A 27 -6.681 6.242 2.928 1.00 0.00 C ATOM 402 C ALA A 27 -6.208 6.290 4.377 1.00 0.00 C ATOM 403 O ALA A 27 -5.781 7.334 4.871 1.00 0.00 O ATOM 404 CB ALA A 27 -5.494 6.137 1.987 1.00 0.00 C ATOM 0 H ALA A 27 -7.438 8.165 3.280 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.309 5.359 2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.902 5.258 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.850 6.047 0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.876 7.030 2.080 1.00 0.00 H new ATOM 410 N PRO A 28 -6.284 5.149 5.077 1.00 0.00 N ATOM 411 CA PRO A 28 -5.875 5.033 6.475 1.00 0.00 C ATOM 412 C PRO A 28 -4.407 4.649 6.626 1.00 0.00 C ATOM 413 O PRO A 28 -3.737 4.323 5.646 1.00 0.00 O ATOM 414 CB PRO A 28 -6.766 3.898 6.962 1.00 0.00 C ATOM 415 CG PRO A 28 -6.851 2.984 5.786 1.00 0.00 C ATOM 416 CD PRO A 28 -6.790 3.863 4.558 1.00 0.00 C ATOM 0 HA PRO A 28 -5.975 5.969 7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.337 3.396 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.750 4.261 7.259 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.030 2.267 5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.777 2.409 5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.126 3.447 3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.771 3.975 4.096 1.00 0.00 H new ATOM 424 N ASN A 29 -3.916 4.668 7.863 1.00 0.00 N ATOM 425 CA ASN A 29 -2.532 4.301 8.140 1.00 0.00 C ATOM 426 C ASN A 29 -2.454 2.833 8.543 1.00 0.00 C ATOM 427 O ASN A 29 -2.924 2.448 9.613 1.00 0.00 O ATOM 428 CB ASN A 29 -1.949 5.177 9.249 1.00 0.00 C ATOM 429 CG ASN A 29 -2.557 6.566 9.270 1.00 0.00 C ATOM 430 OD1 ASN A 29 -3.147 7.014 8.287 1.00 0.00 O ATOM 431 ND2 ASN A 29 -2.414 7.257 10.396 1.00 0.00 N ATOM 0 H ASN A 29 -4.456 4.933 8.687 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.947 4.458 7.234 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.115 4.696 10.213 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.870 5.258 9.115 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.801 8.198 10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.917 6.847 11.187 1.00 0.00 H new ATOM 438 N VAL A 30 -1.871 2.015 7.675 1.00 0.00 N ATOM 439 CA VAL A 30 -1.750 0.588 7.941 1.00 0.00 C ATOM 440 C VAL A 30 -0.428 0.036 7.421 1.00 0.00 C ATOM 441 O VAL A 30 0.528 0.781 7.205 1.00 0.00 O ATOM 442 CB VAL A 30 -2.911 -0.193 7.295 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.228 0.534 7.517 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.659 -0.401 5.808 1.00 0.00 C ATOM 0 H VAL A 30 -1.476 2.315 6.784 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.786 0.461 9.023 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.972 -1.172 7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.038 -0.031 7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.416 0.628 8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.176 1.526 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.491 -0.954 5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.569 0.567 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.736 -0.965 5.671 1.00 0.00 H new ATOM 454 N THR A 31 -0.386 -1.276 7.217 1.00 0.00 N ATOM 455 CA THR A 31 0.812 -1.932 6.714 1.00 0.00 C ATOM 456 C THR A 31 0.728 -2.116 5.203 1.00 0.00 C ATOM 457 O THR A 31 -0.230 -2.694 4.688 1.00 0.00 O ATOM 458 CB THR A 31 1.009 -3.285 7.400 1.00 0.00 C ATOM 459 OG1 THR A 31 -0.210 -3.753 7.947 1.00 0.00 O ATOM 460 CG2 THR A 31 2.029 -3.244 8.520 1.00 0.00 C ATOM 0 H THR A 31 -1.169 -1.905 7.393 1.00 0.00 H new ATOM 0 HA THR A 31 1.669 -1.298 6.940 1.00 0.00 H new ATOM 0 HB THR A 31 1.374 -3.954 6.620 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.063 -4.620 8.380 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.121 -4.235 8.965 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.995 -2.934 8.121 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.706 -2.534 9.281 1.00 0.00 H new ATOM 468 N LYS A 32 1.736 -1.612 4.502 1.00 0.00 N ATOM 469 CA LYS A 32 1.798 -1.700 3.046 1.00 0.00 C ATOM 470 C LYS A 32 1.099 -2.951 2.522 1.00 0.00 C ATOM 471 O LYS A 32 0.464 -2.921 1.468 1.00 0.00 O ATOM 472 CB LYS A 32 3.256 -1.691 2.595 1.00 0.00 C ATOM 473 CG LYS A 32 3.439 -1.844 1.094 1.00 0.00 C ATOM 474 CD LYS A 32 4.725 -2.585 0.768 1.00 0.00 C ATOM 475 CE LYS A 32 5.922 -1.941 1.447 1.00 0.00 C ATOM 476 NZ LYS A 32 6.105 -2.439 2.839 1.00 0.00 N ATOM 0 H LYS A 32 2.531 -1.132 4.923 1.00 0.00 H new ATOM 0 HA LYS A 32 1.276 -0.836 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.719 -0.757 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.787 -2.498 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.590 -2.383 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.455 -0.860 0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.639 -3.624 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.878 -2.594 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.822 -2.145 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.792 -0.859 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.117 -2.590 3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.731 -1.738 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.594 -3.337 2.956 1.00 0.00 H new ATOM 490 N GLN A 33 1.221 -4.050 3.258 1.00 0.00 N ATOM 491 CA GLN A 33 0.602 -5.307 2.858 1.00 0.00 C ATOM 492 C GLN A 33 -0.913 -5.163 2.748 1.00 0.00 C ATOM 493 O GLN A 33 -1.515 -5.575 1.757 1.00 0.00 O ATOM 494 CB GLN A 33 0.946 -6.412 3.859 1.00 0.00 C ATOM 495 CG GLN A 33 2.412 -6.433 4.258 1.00 0.00 C ATOM 496 CD GLN A 33 2.976 -7.838 4.320 1.00 0.00 C ATOM 497 OE1 GLN A 33 3.520 -8.257 5.342 1.00 0.00 O ATOM 498 NE2 GLN A 33 2.851 -8.576 3.224 1.00 0.00 N ATOM 0 H GLN A 33 1.742 -4.095 4.134 1.00 0.00 H new ATOM 0 HA GLN A 33 0.995 -5.576 1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.336 -6.284 4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.681 -7.377 3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.988 -5.845 3.544 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.527 -5.955 5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.393 -8.190 2.399 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.213 -9.530 3.207 1.00 0.00 H new ATOM 507 N GLU A 34 -1.523 -4.581 3.774 1.00 0.00 N ATOM 508 CA GLU A 34 -2.969 -4.390 3.796 1.00 0.00 C ATOM 509 C GLU A 34 -3.404 -3.320 2.799 1.00 0.00 C ATOM 510 O GLU A 34 -4.241 -3.571 1.930 1.00 0.00 O ATOM 511 CB GLU A 34 -3.431 -4.006 5.203 1.00 0.00 C ATOM 512 CG GLU A 34 -2.676 -4.725 6.308 1.00 0.00 C ATOM 513 CD GLU A 34 -2.550 -6.215 6.053 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.578 -6.856 5.752 1.00 0.00 O ATOM 515 OE2 GLU A 34 -1.421 -6.741 6.154 1.00 0.00 O ATOM 0 H GLU A 34 -1.039 -4.233 4.602 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.433 -5.333 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.313 -2.930 5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.495 -4.224 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.681 -4.291 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.188 -4.564 7.257 1.00 0.00 H new ATOM 522 N CYS A 35 -2.837 -2.125 2.930 1.00 0.00 N ATOM 523 CA CYS A 35 -3.180 -1.019 2.043 1.00 0.00 C ATOM 524 C CYS A 35 -3.099 -1.444 0.580 1.00 0.00 C ATOM 525 O CYS A 35 -4.105 -1.462 -0.128 1.00 0.00 O ATOM 526 CB CYS A 35 -2.258 0.175 2.303 1.00 0.00 C ATOM 527 SG CYS A 35 -2.118 1.334 0.901 1.00 0.00 S ATOM 0 H CYS A 35 -2.140 -1.898 3.639 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.208 -0.723 2.252 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.624 0.719 3.174 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.264 -0.196 2.553 1.00 0.00 H new ATOM 532 N CYS A 36 -1.896 -1.780 0.131 1.00 0.00 N ATOM 533 CA CYS A 36 -1.685 -2.199 -1.249 1.00 0.00 C ATOM 534 C CYS A 36 -2.627 -3.335 -1.630 1.00 0.00 C ATOM 535 O CYS A 36 -3.314 -3.264 -2.650 1.00 0.00 O ATOM 536 CB CYS A 36 -0.232 -2.630 -1.455 1.00 0.00 C ATOM 537 SG CYS A 36 0.993 -1.379 -0.956 1.00 0.00 S ATOM 0 H CYS A 36 -1.051 -1.770 0.703 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.900 -1.348 -1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.052 -3.545 -0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.081 -2.871 -2.507 1.00 0.00 H new ATOM 542 N CYS A 37 -2.660 -4.382 -0.812 1.00 0.00 N ATOM 543 CA CYS A 37 -3.527 -5.524 -1.081 1.00 0.00 C ATOM 544 C CYS A 37 -4.967 -5.068 -1.286 1.00 0.00 C ATOM 545 O CYS A 37 -5.778 -5.788 -1.870 1.00 0.00 O ATOM 546 CB CYS A 37 -3.453 -6.540 0.061 1.00 0.00 C ATOM 547 SG CYS A 37 -4.861 -7.696 0.126 1.00 0.00 S ATOM 0 H CYS A 37 -2.101 -4.464 0.037 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.180 -6.004 -1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.531 -7.113 -0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.395 -6.002 1.007 1.00 0.00 H new ATOM 552 N THR A 38 -5.277 -3.865 -0.813 1.00 0.00 N ATOM 553 CA THR A 38 -6.619 -3.313 -0.957 1.00 0.00 C ATOM 554 C THR A 38 -6.759 -2.609 -2.302 1.00 0.00 C ATOM 555 O THR A 38 -7.868 -2.332 -2.758 1.00 0.00 O ATOM 556 CB THR A 38 -6.925 -2.336 0.179 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.502 -2.863 1.424 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.395 -2.002 0.299 1.00 0.00 C ATOM 0 H THR A 38 -4.619 -3.255 -0.328 1.00 0.00 H new ATOM 0 HA THR A 38 -7.334 -4.135 -0.911 1.00 0.00 H new ATOM 0 HB THR A 38 -6.379 -1.426 -0.069 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.524 -2.838 1.475 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.544 -1.305 1.124 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.741 -1.546 -0.629 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.961 -2.914 0.489 1.00 0.00 H new ATOM 566 N SER A 39 -5.621 -2.327 -2.932 1.00 0.00 N ATOM 567 CA SER A 39 -5.603 -1.659 -4.229 1.00 0.00 C ATOM 568 C SER A 39 -5.802 -0.157 -4.075 1.00 0.00 C ATOM 569 O SER A 39 -6.714 0.291 -3.381 1.00 0.00 O ATOM 570 CB SER A 39 -6.680 -2.243 -5.141 1.00 0.00 C ATOM 571 OG SER A 39 -6.494 -1.824 -6.482 1.00 0.00 O ATOM 0 H SER A 39 -4.697 -2.552 -2.563 1.00 0.00 H new ATOM 0 HA SER A 39 -4.626 -1.827 -4.682 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.654 -3.331 -5.090 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.665 -1.931 -4.792 1.00 0.00 H new ATOM 0 HG SER A 39 -7.195 -2.212 -7.046 1.00 0.00 H new ATOM 577 N GLY A 40 -4.940 0.617 -4.728 1.00 0.00 N ATOM 578 CA GLY A 40 -5.039 2.058 -4.646 1.00 0.00 C ATOM 579 C GLY A 40 -4.064 2.792 -5.552 1.00 0.00 C ATOM 580 O GLY A 40 -4.353 3.029 -6.725 1.00 0.00 O ATOM 0 H GLY A 40 -4.178 0.270 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.055 2.358 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.866 2.367 -3.615 1.00 0.00 H new ATOM 584 N ALA A 41 -2.914 3.171 -4.998 1.00 0.00 N ATOM 585 CA ALA A 41 -1.899 3.906 -5.748 1.00 0.00 C ATOM 586 C ALA A 41 -0.507 3.643 -5.187 1.00 0.00 C ATOM 587 O ALA A 41 0.442 3.408 -5.932 1.00 0.00 O ATOM 588 CB ALA A 41 -2.206 5.386 -5.707 1.00 0.00 C ATOM 0 H ALA A 41 -2.662 2.980 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.917 3.561 -6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.446 5.931 -6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.185 5.567 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.209 5.729 -4.672 1.00 0.00 H new ATOM 594 N GLY A 42 -0.402 3.708 -3.856 1.00 0.00 N ATOM 595 CA GLY A 42 0.861 3.494 -3.180 1.00 0.00 C ATOM 596 C GLY A 42 0.727 3.570 -1.674 1.00 0.00 C ATOM 597 O GLY A 42 -0.283 4.040 -1.154 1.00 0.00 O ATOM 0 H GLY A 42 -1.184 3.908 -3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.259 2.518 -3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.581 4.240 -3.516 1.00 0.00 H new ATOM 601 N TRP A 43 1.752 3.107 -0.972 1.00 0.00 N ATOM 602 CA TRP A 43 1.753 3.129 0.485 1.00 0.00 C ATOM 603 C TRP A 43 3.062 3.714 1.013 1.00 0.00 C ATOM 604 O TRP A 43 4.147 3.294 0.606 1.00 0.00 O ATOM 605 CB TRP A 43 1.544 1.714 1.028 1.00 0.00 C ATOM 606 CG TRP A 43 1.759 1.594 2.504 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.796 1.549 3.470 1.00 0.00 C ATOM 608 CD2 TRP A 43 3.016 1.492 3.181 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.377 1.426 4.709 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.739 1.389 4.558 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.349 1.478 2.759 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.746 1.273 5.513 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.346 1.363 3.710 1.00 0.00 C ATOM 614 CH2 TRP A 43 5.039 1.261 5.071 1.00 0.00 C ATOM 0 H TRP A 43 2.595 2.711 -1.388 1.00 0.00 H new ATOM 0 HA TRP A 43 0.934 3.763 0.826 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.531 1.390 0.791 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.224 1.034 0.515 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.267 1.602 3.287 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.877 1.371 5.596 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.595 1.556 1.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.513 1.195 6.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.380 1.352 3.397 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.841 1.171 5.788 1.00 0.00 H new ATOM 625 N GLY A 44 2.954 4.693 1.910 1.00 0.00 N ATOM 626 CA GLY A 44 4.137 5.322 2.472 1.00 0.00 C ATOM 627 C GLY A 44 3.820 6.558 3.286 1.00 0.00 C ATOM 628 O GLY A 44 2.747 6.662 3.884 1.00 0.00 O ATOM 0 H GLY A 44 2.068 5.061 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.659 4.603 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.817 5.591 1.664 1.00 0.00 H new ATOM 632 N ASP A 45 4.764 7.490 3.316 1.00 0.00 N ATOM 633 CA ASP A 45 4.597 8.729 4.073 1.00 0.00 C ATOM 634 C ASP A 45 4.742 9.962 3.182 1.00 0.00 C ATOM 635 O ASP A 45 5.834 10.272 2.712 1.00 0.00 O ATOM 636 CB ASP A 45 5.616 8.793 5.211 1.00 0.00 C ATOM 637 CG ASP A 45 6.955 8.200 4.819 1.00 0.00 C ATOM 638 OD1 ASP A 45 6.977 7.051 4.330 1.00 0.00 O ATOM 639 OD2 ASP A 45 7.984 8.885 5.001 1.00 0.00 O ATOM 0 H ASP A 45 5.655 7.413 2.825 1.00 0.00 H new ATOM 0 HA ASP A 45 3.588 8.728 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.755 9.831 5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.224 8.259 6.077 1.00 0.00 H new ATOM 644 N ASN A 46 3.629 10.665 2.977 1.00 0.00 N ATOM 645 CA ASN A 46 3.597 11.884 2.163 1.00 0.00 C ATOM 646 C ASN A 46 4.773 11.973 1.189 1.00 0.00 C ATOM 647 O ASN A 46 5.891 12.309 1.579 1.00 0.00 O ATOM 648 CB ASN A 46 3.582 13.115 3.067 1.00 0.00 C ATOM 649 CG ASN A 46 2.296 13.908 2.942 1.00 0.00 C ATOM 650 OD1 ASN A 46 1.791 14.029 1.720 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 1.760 14.404 3.933 1.00 0.00 N flip ATOM 0 H ASN A 46 2.723 10.408 3.369 1.00 0.00 H new ATOM 0 HA ASN A 46 2.685 11.846 1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.714 12.803 4.103 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.427 13.756 2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.183 14.286 4.854 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.893 14.933 3.833 1.00 0.00 H new ATOM 658 N CYS A 47 4.502 11.684 -0.078 1.00 0.00 N ATOM 659 CA CYS A 47 5.519 11.740 -1.125 1.00 0.00 C ATOM 660 C CYS A 47 6.744 10.904 -0.779 1.00 0.00 C ATOM 661 O CYS A 47 7.826 11.090 -1.334 1.00 0.00 O ATOM 662 CB CYS A 47 5.887 13.186 -1.426 1.00 0.00 C ATOM 663 SG CYS A 47 4.782 13.962 -2.645 1.00 0.00 S ATOM 0 H CYS A 47 3.578 11.406 -0.409 1.00 0.00 H new ATOM 0 HA CYS A 47 5.095 11.301 -2.028 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.860 13.762 -0.501 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.912 13.225 -1.796 1.00 0.00 H new ATOM 668 N GLU A 48 6.528 9.936 0.093 1.00 0.00 N ATOM 669 CA GLU A 48 7.555 8.985 0.482 1.00 0.00 C ATOM 670 C GLU A 48 6.919 7.612 0.380 1.00 0.00 C ATOM 671 O GLU A 48 7.165 6.714 1.185 1.00 0.00 O ATOM 672 CB GLU A 48 8.066 9.243 1.903 1.00 0.00 C ATOM 673 CG GLU A 48 8.309 10.711 2.208 1.00 0.00 C ATOM 674 CD GLU A 48 9.766 11.104 2.066 1.00 0.00 C ATOM 675 OE1 GLU A 48 10.541 10.313 1.488 1.00 0.00 O ATOM 676 OE2 GLU A 48 10.133 12.202 2.534 1.00 0.00 O ATOM 0 H GLU A 48 5.631 9.786 0.554 1.00 0.00 H new ATOM 0 HA GLU A 48 8.425 9.075 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.343 8.848 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.995 8.692 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.705 11.322 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.976 10.927 3.223 1.00 0.00 H new ATOM 683 N ILE A 49 6.040 7.509 -0.614 1.00 0.00 N ATOM 684 CA ILE A 49 5.265 6.310 -0.875 1.00 0.00 C ATOM 685 C ILE A 49 5.768 5.560 -2.105 1.00 0.00 C ATOM 686 O ILE A 49 6.552 6.089 -2.893 1.00 0.00 O ATOM 687 CB ILE A 49 3.792 6.706 -1.088 1.00 0.00 C ATOM 688 CG1 ILE A 49 3.156 7.115 0.240 1.00 0.00 C ATOM 689 CG2 ILE A 49 3.007 5.584 -1.734 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.514 8.482 0.199 1.00 0.00 C ATOM 0 H ILE A 49 5.847 8.269 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 49 5.369 5.646 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 49 3.767 7.559 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.404 6.376 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.918 7.102 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.972 5.896 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.445 5.345 -2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.039 4.702 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.082 8.710 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.267 9.230 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.729 8.493 -0.558 1.00 0.00 H new ATOM 702 N PHE A 50 5.296 4.325 -2.267 1.00 0.00 N ATOM 703 CA PHE A 50 5.681 3.504 -3.407 1.00 0.00 C ATOM 704 C PHE A 50 4.439 3.050 -4.174 1.00 0.00 C ATOM 705 O PHE A 50 3.456 2.604 -3.579 1.00 0.00 O ATOM 706 CB PHE A 50 6.509 2.300 -2.942 1.00 0.00 C ATOM 707 CG PHE A 50 5.694 1.079 -2.628 1.00 0.00 C ATOM 708 CD1 PHE A 50 4.588 1.164 -1.803 1.00 0.00 C ATOM 709 CD2 PHE A 50 6.040 -0.154 -3.158 1.00 0.00 C ATOM 710 CE1 PHE A 50 3.839 0.043 -1.512 1.00 0.00 C ATOM 711 CE2 PHE A 50 5.293 -1.280 -2.869 1.00 0.00 C ATOM 712 CZ PHE A 50 4.190 -1.181 -2.045 1.00 0.00 C ATOM 0 H PHE A 50 4.647 3.874 -1.622 1.00 0.00 H new ATOM 0 HA PHE A 50 6.298 4.100 -4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.234 2.050 -3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.076 2.583 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.308 2.118 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.902 -0.236 -3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.977 0.123 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.572 -2.236 -3.287 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.603 -2.059 -1.818 1.00 0.00 H new ATOM 722 N PRO A 51 4.465 3.179 -5.508 1.00 0.00 N ATOM 723 CA PRO A 51 3.341 2.800 -6.371 1.00 0.00 C ATOM 724 C PRO A 51 2.842 1.383 -6.104 1.00 0.00 C ATOM 725 O PRO A 51 3.482 0.407 -6.494 1.00 0.00 O ATOM 726 CB PRO A 51 3.914 2.907 -7.794 1.00 0.00 C ATOM 727 CG PRO A 51 5.390 3.076 -7.626 1.00 0.00 C ATOM 728 CD PRO A 51 5.586 3.716 -6.285 1.00 0.00 C ATOM 0 HA PRO A 51 2.476 3.440 -6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.686 2.014 -8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.481 3.754 -8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.901 2.114 -7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.804 3.699 -8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.548 3.451 -5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.553 4.804 -6.346 1.00 0.00 H new ATOM 736 N CYS A 52 1.691 1.279 -5.443 1.00 0.00 N ATOM 737 CA CYS A 52 1.104 -0.018 -5.132 1.00 0.00 C ATOM 738 C CYS A 52 -0.414 0.040 -5.061 1.00 0.00 C ATOM 739 O CYS A 52 -1.017 1.066 -4.687 1.00 0.00 O ATOM 740 CB CYS A 52 1.638 -0.558 -3.810 1.00 0.00 C ATOM 741 SG CYS A 52 0.784 0.095 -2.337 1.00 0.00 S ATOM 0 H CYS A 52 1.149 2.078 -5.114 1.00 0.00 H new ATOM 0 HA CYS A 52 1.389 -0.685 -5.946 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.553 -1.645 -3.813 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.699 -0.321 -3.736 1.00 0.00 H new ATOM 746 N PRO A 53 -1.050 -1.084 -5.409 1.00 0.00 N ATOM 747 CA PRO A 53 -0.360 -2.295 -5.851 1.00 0.00 C ATOM 748 C PRO A 53 -0.143 -2.307 -7.361 1.00 0.00 C ATOM 749 O PRO A 53 -0.208 -1.266 -8.015 1.00 0.00 O ATOM 750 CB PRO A 53 -1.336 -3.388 -5.441 1.00 0.00 C ATOM 751 CG PRO A 53 -2.685 -2.759 -5.546 1.00 0.00 C ATOM 752 CD PRO A 53 -2.497 -1.264 -5.416 1.00 0.00 C ATOM 0 HA PRO A 53 0.637 -2.400 -5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.253 -4.257 -6.094 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.139 -3.733 -4.426 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.151 -3.006 -6.500 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.345 -3.133 -4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.960 -0.731 -6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.950 -0.884 -4.500 1.00 0.00 H new ATOM 760 N VAL A 54 0.115 -3.489 -7.910 1.00 0.00 N ATOM 761 CA VAL A 54 0.339 -3.631 -9.343 1.00 0.00 C ATOM 762 C VAL A 54 -0.672 -4.587 -9.967 1.00 0.00 C ATOM 763 O VAL A 54 -0.743 -4.719 -11.188 1.00 0.00 O ATOM 764 CB VAL A 54 1.763 -4.137 -9.639 1.00 0.00 C ATOM 765 CG1 VAL A 54 2.065 -4.052 -11.127 1.00 0.00 C ATOM 766 CG2 VAL A 54 2.785 -3.349 -8.836 1.00 0.00 C ATOM 0 H VAL A 54 0.174 -4.361 -7.385 1.00 0.00 H new ATOM 0 HA VAL A 54 0.214 -2.642 -9.783 1.00 0.00 H new ATOM 0 HB VAL A 54 1.825 -5.183 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.076 -4.414 -11.314 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.352 -4.665 -11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.984 -3.016 -11.456 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.786 -3.720 -9.057 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.722 -2.294 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.581 -3.468 -7.772 1.00 0.00 H new ATOM 776 N LEU A 55 -1.454 -5.251 -9.120 1.00 0.00 N ATOM 777 CA LEU A 55 -2.463 -6.194 -9.588 1.00 0.00 C ATOM 778 C LEU A 55 -1.833 -7.284 -10.449 1.00 0.00 C ATOM 779 O LEU A 55 -1.151 -6.998 -11.433 1.00 0.00 O ATOM 780 CB LEU A 55 -3.545 -5.464 -10.383 1.00 0.00 C ATOM 781 CG LEU A 55 -4.969 -5.626 -9.845 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.973 -5.621 -8.324 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.869 -4.526 -10.386 1.00 0.00 C ATOM 0 H LEU A 55 -1.408 -5.153 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.917 -6.662 -8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.301 -4.402 -10.407 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.520 -5.820 -11.413 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.357 -6.587 -10.183 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.995 -5.737 -7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.362 -6.445 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.565 -4.677 -7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.878 -4.656 -9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.482 -3.555 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.893 -4.578 -11.474 1.00 0.00 H new ATOM 795 N GLY A 56 -2.068 -8.537 -10.074 1.00 0.00 N ATOM 796 CA GLY A 56 -1.518 -9.651 -10.823 1.00 0.00 C ATOM 797 C GLY A 56 -0.071 -9.424 -11.217 1.00 0.00 C ATOM 798 O GLY A 56 0.320 -9.692 -12.354 1.00 0.00 O ATOM 0 H GLY A 56 -2.630 -8.801 -9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.591 -10.559 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.115 -9.812 -11.720 1.00 0.00 H new ATOM 802 N THR A 57 0.725 -8.927 -10.277 1.00 0.00 N ATOM 803 CA THR A 57 2.137 -8.663 -10.528 1.00 0.00 C ATOM 804 C THR A 57 2.980 -9.002 -9.304 1.00 0.00 C ATOM 805 O THR A 57 2.542 -9.735 -8.418 1.00 0.00 O ATOM 806 CB THR A 57 2.340 -7.197 -10.916 1.00 0.00 C ATOM 807 OG1 THR A 57 1.120 -6.483 -10.828 1.00 0.00 O ATOM 808 CG2 THR A 57 2.877 -7.018 -12.320 1.00 0.00 C ATOM 0 H THR A 57 0.416 -8.698 -9.332 1.00 0.00 H new ATOM 0 HA THR A 57 2.460 -9.298 -11.353 1.00 0.00 H new ATOM 0 HB THR A 57 3.076 -6.810 -10.211 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.474 -6.861 -11.460 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.997 -5.955 -12.531 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.842 -7.517 -12.407 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.178 -7.453 -13.035 1.00 0.00 H new ATOM 816 N ALA A 58 4.196 -8.467 -9.265 1.00 0.00 N ATOM 817 CA ALA A 58 5.106 -8.714 -8.154 1.00 0.00 C ATOM 818 C ALA A 58 4.632 -8.026 -6.877 1.00 0.00 C ATOM 819 O ALA A 58 4.175 -8.683 -5.941 1.00 0.00 O ATOM 820 CB ALA A 58 6.508 -8.247 -8.515 1.00 0.00 C ATOM 0 H ALA A 58 4.574 -7.859 -9.991 1.00 0.00 H new ATOM 0 HA ALA A 58 5.122 -9.787 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.181 -8.436 -7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.858 -8.791 -9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.491 -7.179 -8.733 1.00 0.00 H new ATOM 826 N GLU A 59 4.750 -6.702 -6.842 1.00 0.00 N ATOM 827 CA GLU A 59 4.340 -5.930 -5.673 1.00 0.00 C ATOM 828 C GLU A 59 3.091 -6.529 -5.029 1.00 0.00 C ATOM 829 O GLU A 59 3.185 -7.227 -4.020 1.00 0.00 O ATOM 830 CB GLU A 59 4.099 -4.466 -6.053 1.00 0.00 C ATOM 831 CG GLU A 59 4.610 -3.477 -5.018 1.00 0.00 C ATOM 832 CD GLU A 59 5.158 -2.210 -5.646 1.00 0.00 C ATOM 833 OE1 GLU A 59 4.512 -1.683 -6.575 1.00 0.00 O ATOM 834 OE2 GLU A 59 6.235 -1.748 -5.213 1.00 0.00 O ATOM 0 H GLU A 59 5.125 -6.142 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 59 5.148 -5.971 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.584 -4.263 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.030 -4.308 -6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.800 -3.219 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.390 -3.950 -4.422 1.00 0.00 H new ATOM 841 N PHE A 60 1.921 -6.250 -5.607 1.00 0.00 N ATOM 842 CA PHE A 60 0.667 -6.765 -5.069 1.00 0.00 C ATOM 843 C PHE A 60 0.840 -8.144 -4.441 1.00 0.00 C ATOM 844 O PHE A 60 0.817 -8.282 -3.223 1.00 0.00 O ATOM 845 CB PHE A 60 -0.403 -6.850 -6.150 1.00 0.00 C ATOM 846 CG PHE A 60 -1.698 -7.367 -5.608 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.429 -6.616 -4.701 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.173 -8.612 -5.980 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.610 -7.098 -4.177 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.355 -9.099 -5.461 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.074 -8.340 -4.556 1.00 0.00 C ATOM 0 H PHE A 60 1.819 -5.674 -6.442 1.00 0.00 H new ATOM 0 HA PHE A 60 0.353 -6.062 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.559 -5.863 -6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.058 -7.502 -6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.070 -5.643 -4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.613 -9.209 -6.684 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.171 -6.504 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.718 -10.071 -5.761 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.998 -8.720 -4.146 1.00 0.00 H new ATOM 861 N THR A 61 0.994 -9.163 -5.281 1.00 0.00 N ATOM 862 CA THR A 61 1.152 -10.532 -4.797 1.00 0.00 C ATOM 863 C THR A 61 1.909 -10.565 -3.472 1.00 0.00 C ATOM 864 O THR A 61 1.662 -11.427 -2.628 1.00 0.00 O ATOM 865 CB THR A 61 1.875 -11.386 -5.837 1.00 0.00 C ATOM 866 OG1 THR A 61 3.167 -10.872 -6.102 1.00 0.00 O ATOM 867 CG2 THR A 61 1.133 -11.477 -7.153 1.00 0.00 C ATOM 0 H THR A 61 1.013 -9.068 -6.296 1.00 0.00 H new ATOM 0 HA THR A 61 0.157 -10.944 -4.630 1.00 0.00 H new ATOM 0 HB THR A 61 1.934 -12.384 -5.402 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.089 -9.980 -6.500 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.699 -12.097 -7.848 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.151 -11.921 -6.987 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.013 -10.478 -7.573 1.00 0.00 H new ATOM 875 N GLU A 62 2.824 -9.617 -3.290 1.00 0.00 N ATOM 876 CA GLU A 62 3.605 -9.538 -2.061 1.00 0.00 C ATOM 877 C GLU A 62 2.779 -8.948 -0.920 1.00 0.00 C ATOM 878 O GLU A 62 2.777 -9.474 0.193 1.00 0.00 O ATOM 879 CB GLU A 62 4.863 -8.695 -2.286 1.00 0.00 C ATOM 880 CG GLU A 62 5.733 -9.193 -3.429 1.00 0.00 C ATOM 881 CD GLU A 62 6.886 -10.052 -2.951 1.00 0.00 C ATOM 882 OE1 GLU A 62 6.669 -10.892 -2.051 1.00 0.00 O ATOM 883 OE2 GLU A 62 8.008 -9.886 -3.476 1.00 0.00 O ATOM 0 H GLU A 62 3.042 -8.895 -3.977 1.00 0.00 H new ATOM 0 HA GLU A 62 3.897 -10.551 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.569 -7.665 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.453 -8.685 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.120 -9.767 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.125 -8.339 -3.981 1.00 0.00 H new ATOM 890 N MET A 63 2.082 -7.850 -1.201 1.00 0.00 N ATOM 891 CA MET A 63 1.259 -7.186 -0.195 1.00 0.00 C ATOM 892 C MET A 63 -0.088 -7.882 -0.021 1.00 0.00 C ATOM 893 O MET A 63 -0.795 -7.645 0.958 1.00 0.00 O ATOM 894 CB MET A 63 1.041 -5.715 -0.566 1.00 0.00 C ATOM 895 CG MET A 63 0.558 -5.491 -1.990 1.00 0.00 C ATOM 896 SD MET A 63 1.724 -4.523 -2.976 1.00 0.00 S ATOM 897 CE MET A 63 3.295 -5.105 -2.340 1.00 0.00 C ATOM 0 H MET A 63 2.071 -7.402 -2.117 1.00 0.00 H new ATOM 0 HA MET A 63 1.794 -7.243 0.753 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.315 -5.283 0.123 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.977 -5.175 -0.423 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.395 -6.456 -2.470 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.404 -4.980 -1.967 1.00 0.00 H new ATOM 0 HE1 MET A 63 4.012 -5.184 -3.157 1.00 0.00 H new ATOM 0 HE2 MET A 63 3.669 -4.402 -1.596 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.161 -6.084 -1.879 1.00 0.00 H new ATOM 907 N CYS A 64 -0.439 -8.740 -0.971 1.00 0.00 N ATOM 908 CA CYS A 64 -1.704 -9.464 -0.919 1.00 0.00 C ATOM 909 C CYS A 64 -1.521 -10.911 -1.367 1.00 0.00 C ATOM 910 O CYS A 64 -1.543 -11.209 -2.561 1.00 0.00 O ATOM 911 CB CYS A 64 -2.744 -8.773 -1.805 1.00 0.00 C ATOM 912 SG CYS A 64 -4.472 -9.080 -1.313 1.00 0.00 S ATOM 0 H CYS A 64 0.135 -8.952 -1.787 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.054 -9.463 0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.560 -7.699 -1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.607 -9.106 -2.834 1.00 0.00 H new ATOM 917 N PRO A 65 -1.337 -11.828 -0.407 1.00 0.00 N ATOM 918 CA PRO A 65 -1.148 -13.251 -0.698 1.00 0.00 C ATOM 919 C PRO A 65 -2.448 -13.939 -1.104 1.00 0.00 C ATOM 920 O PRO A 65 -2.430 -15.001 -1.727 1.00 0.00 O ATOM 921 CB PRO A 65 -0.638 -13.812 0.628 1.00 0.00 C ATOM 922 CG PRO A 65 -1.219 -12.914 1.665 1.00 0.00 C ATOM 923 CD PRO A 65 -1.299 -11.547 1.040 1.00 0.00 C ATOM 0 HA PRO A 65 -0.470 -13.412 -1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.960 -14.844 0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.451 -13.809 0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.206 -13.260 1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.596 -12.897 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.188 -11.008 1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.438 -10.933 1.307 1.00 0.00 H new ATOM 931 N LYS A 66 -3.574 -13.328 -0.748 1.00 0.00 N ATOM 932 CA LYS A 66 -4.881 -13.884 -1.076 1.00 0.00 C ATOM 933 C LYS A 66 -5.402 -13.311 -2.390 1.00 0.00 C ATOM 934 O LYS A 66 -5.356 -13.973 -3.428 1.00 0.00 O ATOM 935 CB LYS A 66 -5.879 -13.599 0.048 1.00 0.00 C ATOM 936 CG LYS A 66 -6.622 -14.835 0.529 1.00 0.00 C ATOM 937 CD LYS A 66 -6.301 -15.148 1.982 1.00 0.00 C ATOM 938 CE LYS A 66 -7.404 -15.968 2.632 1.00 0.00 C ATOM 939 NZ LYS A 66 -7.116 -16.249 4.065 1.00 0.00 N ATOM 0 H LYS A 66 -3.607 -12.448 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.770 -14.962 -1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.348 -13.154 0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.603 -12.862 -0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.695 -14.682 0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.355 -15.687 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.359 -15.694 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.164 -14.218 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.350 -15.433 2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.522 -16.909 2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.892 -16.810 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.226 -16.782 4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.029 -15.352 4.584 1.00 0.00 H new ATOM 953 N GLY A 67 -5.898 -12.079 -2.341 1.00 0.00 N ATOM 954 CA GLY A 67 -6.419 -11.441 -3.535 1.00 0.00 C ATOM 955 C GLY A 67 -6.919 -10.034 -3.275 1.00 0.00 C ATOM 956 O GLY A 67 -7.042 -9.612 -2.126 1.00 0.00 O ATOM 0 H GLY A 67 -5.948 -11.511 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.639 -11.410 -4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.233 -12.043 -3.938 1.00 0.00 H new ATOM 960 N LYS A 68 -7.209 -9.306 -4.349 1.00 0.00 N ATOM 961 CA LYS A 68 -7.699 -7.936 -4.239 1.00 0.00 C ATOM 962 C LYS A 68 -8.734 -7.814 -3.124 1.00 0.00 C ATOM 963 O LYS A 68 -9.495 -8.745 -2.866 1.00 0.00 O ATOM 964 CB LYS A 68 -8.312 -7.487 -5.567 1.00 0.00 C ATOM 965 CG LYS A 68 -8.778 -6.040 -5.563 1.00 0.00 C ATOM 966 CD LYS A 68 -10.162 -5.902 -6.178 1.00 0.00 C ATOM 967 CE LYS A 68 -10.721 -4.502 -5.980 1.00 0.00 C ATOM 968 NZ LYS A 68 -12.209 -4.484 -6.049 1.00 0.00 N ATOM 0 H LYS A 68 -7.113 -9.643 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.853 -7.292 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.577 -7.621 -6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.158 -8.132 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.793 -5.664 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.069 -5.426 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.112 -6.128 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.836 -6.631 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.398 -4.115 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.314 -3.837 -6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.551 -3.512 -5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.518 -4.829 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.598 -5.098 -5.306 1.00 0.00 H new ATOM 982 N GLY A 69 -8.754 -6.658 -2.468 1.00 0.00 N ATOM 983 CA GLY A 69 -9.699 -6.436 -1.390 1.00 0.00 C ATOM 984 C GLY A 69 -9.890 -7.666 -0.526 1.00 0.00 C ATOM 985 O GLY A 69 -10.819 -8.444 -0.740 1.00 0.00 O ATOM 0 H GLY A 69 -8.134 -5.872 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.351 -5.610 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.660 -6.137 -1.809 1.00 0.00 H new ATOM 989 N PHE A 70 -9.006 -7.845 0.449 1.00 0.00 N ATOM 990 CA PHE A 70 -9.081 -8.992 1.345 1.00 0.00 C ATOM 991 C PHE A 70 -9.313 -8.553 2.787 1.00 0.00 C ATOM 992 O PHE A 70 -9.862 -9.305 3.592 1.00 0.00 O ATOM 993 CB PHE A 70 -7.796 -9.818 1.253 1.00 0.00 C ATOM 994 CG PHE A 70 -7.601 -10.754 2.412 1.00 0.00 C ATOM 995 CD1 PHE A 70 -8.252 -11.976 2.450 1.00 0.00 C ATOM 996 CD2 PHE A 70 -6.766 -10.411 3.463 1.00 0.00 C ATOM 997 CE1 PHE A 70 -8.074 -12.839 3.514 1.00 0.00 C ATOM 998 CE2 PHE A 70 -6.584 -11.269 4.531 1.00 0.00 C ATOM 999 CZ PHE A 70 -7.238 -12.486 4.556 1.00 0.00 C ATOM 0 H PHE A 70 -8.230 -7.211 0.639 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.927 -9.605 1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.810 -10.395 0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.943 -9.142 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.906 -12.257 1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.251 -9.462 3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.588 -13.789 3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.932 -10.989 5.345 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.096 -13.160 5.388 1.00 0.00 H new