USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 628 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 61 SER OG : rot 157:sc= -2.81! USER MOD Set 1.2: A 64 ASN : amide:sc= 0 X(o=-2.6,f=-2.7) USER MOD Set 1.3: A 75 TYR OH : rot 35:sc= 0.59 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc=-0.00125 F(o=-3.2,f=-2.6) USER MOD Set 1.5: A 90 ASN : amide:sc= -0.412 K(o=-2.6,f=-4.3) USER MOD Set 2.1: A 29 ASN : amide:sc= -0.92 K(o=-0.92,f=-1.9!) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -9:sc= 1.66 USER MOD Single : A 13 ASN : amide:sc=-0.000595 X(o=-0.00059,f=-0.054) USER MOD Single : A 14 MET CE :methyl -157:sc= -0.256 (180deg=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= -1.53 (180deg=-1.57) USER MOD Single : A 17 TYR OH : rot -179:sc= 0.00218 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 6:sc= 0.226 USER MOD Single : A 33 GLN : amide:sc= -0.0178 K(o=-0.018,f=-1.3!) USER MOD Single : A 41 ASN : amide:sc= -1.15 K(o=-1.1,f=-10!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= -0.198 (180deg=-1.17) USER MOD Single : A 56 ASN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 67 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.00046) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 74 THR OG1 : rot -18:sc= 0.0662 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 3:sc= 0.163 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 82 SER OG : rot 130:sc= -0.974 USER MOD Single : A 83 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.32) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LEU A 11 -10.325 -10.418 -1.910 1.00 0.00 N ATOM 155 CA LEU A 11 -8.945 -10.457 -1.430 1.00 0.00 C ATOM 156 C LEU A 11 -8.897 -10.682 0.079 1.00 0.00 C ATOM 157 O LEU A 11 -8.714 -11.811 0.534 1.00 0.00 O ATOM 158 CB LEU A 11 -8.208 -9.166 -1.802 1.00 0.00 C ATOM 159 CG LEU A 11 -6.950 -9.370 -2.646 1.00 0.00 C ATOM 160 CD1 LEU A 11 -7.317 -9.827 -4.052 1.00 0.00 C ATOM 161 CD2 LEU A 11 -6.122 -8.091 -2.693 1.00 0.00 C ATOM 0 HA LEU A 11 -8.444 -11.295 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.893 -8.516 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.934 -8.643 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.347 -10.149 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.409 -9.967 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.862 -10.769 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.943 -9.072 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.231 -8.257 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.715 -7.289 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.827 -7.811 -1.682 1.00 0.00 H new ATOM 173 N SER A 12 -9.070 -9.604 0.846 1.00 0.00 N ATOM 174 CA SER A 12 -9.054 -9.671 2.308 1.00 0.00 C ATOM 175 C SER A 12 -7.765 -10.321 2.836 1.00 0.00 C ATOM 176 O SER A 12 -7.641 -11.545 2.884 1.00 0.00 O ATOM 177 CB SER A 12 -10.303 -10.418 2.811 1.00 0.00 C ATOM 178 OG SER A 12 -10.113 -11.827 2.836 1.00 0.00 O ATOM 0 H SER A 12 -9.224 -8.667 0.475 1.00 0.00 H new ATOM 0 HA SER A 12 -9.073 -8.653 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.554 -10.069 3.813 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.150 -10.179 2.169 1.00 0.00 H new ATOM 0 HG SER A 12 -9.267 -12.051 2.394 1.00 0.00 H new ATOM 184 N ASN A 13 -6.800 -9.486 3.233 1.00 0.00 N ATOM 185 CA ASN A 13 -5.526 -9.979 3.758 1.00 0.00 C ATOM 186 C ASN A 13 -4.931 -9.014 4.793 1.00 0.00 C ATOM 187 O ASN A 13 -5.111 -9.202 5.997 1.00 0.00 O ATOM 188 CB ASN A 13 -4.529 -10.213 2.613 1.00 0.00 C ATOM 189 CG ASN A 13 -4.355 -11.685 2.284 1.00 0.00 C ATOM 190 OD1 ASN A 13 -4.943 -12.190 1.329 1.00 0.00 O ATOM 191 ND2 ASN A 13 -3.540 -12.384 3.071 1.00 0.00 N ATOM 0 H ASN A 13 -6.877 -8.469 3.201 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.720 -10.927 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.871 -9.683 1.724 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.563 -9.788 2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.385 -13.376 2.892 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.071 -11.928 3.853 1.00 0.00 H new ATOM 198 N MET A 14 -4.223 -7.986 4.319 1.00 0.00 N ATOM 199 CA MET A 14 -3.599 -7.000 5.205 1.00 0.00 C ATOM 200 C MET A 14 -2.993 -5.852 4.397 1.00 0.00 C ATOM 201 O MET A 14 -2.246 -6.082 3.448 1.00 0.00 O ATOM 202 CB MET A 14 -2.514 -7.665 6.060 1.00 0.00 C ATOM 203 CG MET A 14 -1.850 -6.715 7.047 1.00 0.00 C ATOM 204 SD MET A 14 -2.501 -6.884 8.719 1.00 0.00 S ATOM 205 CE MET A 14 -4.128 -6.161 8.526 1.00 0.00 C ATOM 0 H MET A 14 -4.067 -7.815 3.326 1.00 0.00 H new ATOM 0 HA MET A 14 -4.371 -6.595 5.860 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.955 -8.497 6.609 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.752 -8.085 5.403 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.776 -6.902 7.059 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.991 -5.689 6.708 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.491 -5.818 9.495 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.072 -5.316 7.840 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.813 -6.908 8.126 1.00 0.00 H new ATOM 215 N LYS A 15 -3.319 -4.617 4.782 1.00 0.00 N ATOM 216 CA LYS A 15 -2.806 -3.434 4.095 1.00 0.00 C ATOM 217 C LYS A 15 -2.600 -2.287 5.086 1.00 0.00 C ATOM 218 O LYS A 15 -3.301 -2.193 6.092 1.00 0.00 O ATOM 219 CB LYS A 15 -3.768 -3.017 2.978 1.00 0.00 C ATOM 220 CG LYS A 15 -3.080 -2.333 1.807 1.00 0.00 C ATOM 221 CD LYS A 15 -3.876 -2.484 0.518 1.00 0.00 C ATOM 222 CE LYS A 15 -3.978 -3.942 0.091 1.00 0.00 C ATOM 223 NZ LYS A 15 -3.809 -4.107 -1.380 1.00 0.00 N ATOM 0 H LYS A 15 -3.937 -4.411 5.567 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.841 -3.677 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.294 -3.900 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.520 -2.345 3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.948 -1.274 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.085 -2.757 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.876 -2.074 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.401 -1.905 -0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.218 -4.526 0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.947 -4.341 0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.969 -5.102 -1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.495 -3.505 -1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.844 -3.830 -1.652 1.00 0.00 H new ATOM 237 N PHE A 16 -1.630 -1.422 4.804 1.00 0.00 N ATOM 238 CA PHE A 16 -1.337 -0.291 5.683 1.00 0.00 C ATOM 239 C PHE A 16 -0.603 0.810 4.918 1.00 0.00 C ATOM 240 O PHE A 16 0.326 0.525 4.167 1.00 0.00 O ATOM 241 CB PHE A 16 -0.504 -0.773 6.877 1.00 0.00 C ATOM 242 CG PHE A 16 -0.186 0.295 7.891 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.147 1.217 8.275 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.073 0.365 8.468 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.857 2.191 9.211 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.367 1.339 9.404 1.00 0.00 C ATOM 247 CZ PHE A 16 0.402 2.251 9.779 1.00 0.00 C ATOM 0 H PHE A 16 -1.035 -1.481 3.978 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.274 0.127 6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.040 -1.581 7.375 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.431 -1.193 6.505 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.134 1.174 7.838 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.832 -0.349 8.183 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.614 2.906 9.499 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.353 1.386 9.842 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.629 3.009 10.514 1.00 0.00 H new ATOM 257 N TYR A 17 -1.028 2.062 5.099 1.00 0.00 N ATOM 258 CA TYR A 17 -0.401 3.186 4.403 1.00 0.00 C ATOM 259 C TYR A 17 -0.012 4.304 5.374 1.00 0.00 C ATOM 260 O TYR A 17 -0.868 5.048 5.853 1.00 0.00 O ATOM 261 CB TYR A 17 -1.345 3.726 3.327 1.00 0.00 C ATOM 262 CG TYR A 17 -1.281 2.962 2.023 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.678 1.631 1.953 1.00 0.00 C ATOM 264 CD2 TYR A 17 -0.825 3.570 0.862 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.621 0.931 0.766 1.00 0.00 C ATOM 266 CE2 TYR A 17 -0.766 2.876 -0.330 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.163 1.557 -0.374 1.00 0.00 C ATOM 268 OH TYR A 17 -1.103 0.864 -1.558 1.00 0.00 O ATOM 0 H TYR A 17 -1.797 2.321 5.716 1.00 0.00 H new ATOM 0 HA TYR A 17 0.513 2.822 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.367 3.697 3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.105 4.772 3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.037 1.137 2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.511 4.603 0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.933 -0.102 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.410 3.365 -1.225 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.744 1.446 -2.260 1.00 0.00 H new ATOM 278 N LEU A 18 1.285 4.421 5.656 1.00 0.00 N ATOM 279 CA LEU A 18 1.784 5.453 6.566 1.00 0.00 C ATOM 280 C LEU A 18 3.290 5.654 6.396 1.00 0.00 C ATOM 281 O LEU A 18 4.081 5.140 7.182 1.00 0.00 O ATOM 282 CB LEU A 18 1.452 5.083 8.018 1.00 0.00 C ATOM 283 CG LEU A 18 0.560 6.084 8.759 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.789 5.462 9.090 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.243 6.572 10.027 1.00 0.00 C ATOM 0 H LEU A 18 2.009 3.815 5.269 1.00 0.00 H new ATOM 0 HA LEU A 18 1.290 6.393 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.962 4.110 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.385 4.974 8.571 1.00 0.00 H new ATOM 0 HG LEU A 18 0.393 6.939 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.406 6.190 9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.287 5.162 8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.641 4.587 9.723 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.594 7.282 10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.442 5.724 10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.183 7.060 9.769 1.00 0.00 H new ATOM 297 N ASN A 19 3.681 6.400 5.365 1.00 0.00 N ATOM 298 CA ASN A 19 5.097 6.663 5.091 1.00 0.00 C ATOM 299 C ASN A 19 5.783 7.338 6.282 1.00 0.00 C ATOM 300 O ASN A 19 5.123 7.949 7.124 1.00 0.00 O ATOM 301 CB ASN A 19 5.244 7.539 3.842 1.00 0.00 C ATOM 302 CG ASN A 19 5.442 6.726 2.576 1.00 0.00 C ATOM 303 OD1 ASN A 19 6.486 6.811 1.929 1.00 0.00 O ATOM 304 ND2 ASN A 19 4.435 5.939 2.204 1.00 0.00 N ATOM 0 H ASN A 19 3.038 6.835 4.703 1.00 0.00 H new ATOM 0 HA ASN A 19 5.583 5.703 4.918 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.356 8.162 3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.091 8.212 3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.512 5.379 1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.586 5.896 2.768 1.00 0.00 H new ATOM 311 N ARG A 20 7.111 7.219 6.343 1.00 0.00 N ATOM 312 CA ARG A 20 7.889 7.820 7.429 1.00 0.00 C ATOM 313 C ARG A 20 7.934 9.341 7.294 1.00 0.00 C ATOM 314 O ARG A 20 7.232 10.054 8.010 1.00 0.00 O ATOM 315 CB ARG A 20 9.316 7.257 7.445 1.00 0.00 C ATOM 316 CG ARG A 20 9.439 5.928 8.168 1.00 0.00 C ATOM 317 CD ARG A 20 10.780 5.265 7.895 1.00 0.00 C ATOM 318 NE ARG A 20 10.780 4.535 6.628 1.00 0.00 N ATOM 319 CZ ARG A 20 11.180 5.053 5.460 1.00 0.00 C ATOM 320 NH1 ARG A 20 11.626 6.304 5.385 1.00 0.00 N ATOM 321 NH2 ARG A 20 11.133 4.308 4.360 1.00 0.00 N ATOM 0 H ARG A 20 7.669 6.713 5.655 1.00 0.00 H new ATOM 0 HA ARG A 20 7.397 7.569 8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.661 7.135 6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.978 7.981 7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.321 6.084 9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.634 5.265 7.852 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.563 6.023 7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.019 4.580 8.709 1.00 0.00 H new ATOM 0 HE ARG A 20 10.454 3.568 6.634 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.667 6.882 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.927 6.685 4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.794 3.347 4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.436 4.697 3.467 1.00 0.00 H new ATOM 397 N ASP A 26 6.217 8.366 -4.249 1.00 0.00 N ATOM 398 CA ASP A 26 5.438 8.146 -5.461 1.00 0.00 C ATOM 399 C ASP A 26 4.060 8.800 -5.350 1.00 0.00 C ATOM 400 O ASP A 26 3.705 9.658 -6.161 1.00 0.00 O ATOM 401 CB ASP A 26 5.293 6.645 -5.730 1.00 0.00 C ATOM 402 CG ASP A 26 5.158 6.322 -7.207 1.00 0.00 C ATOM 403 OD1 ASP A 26 4.464 7.077 -7.924 1.00 0.00 O ATOM 404 OD2 ASP A 26 5.745 5.312 -7.650 1.00 0.00 O ATOM 0 HA ASP A 26 5.967 8.606 -6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.161 6.123 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.419 6.268 -5.199 1.00 0.00 H new ATOM 409 N SER A 27 3.290 8.392 -4.340 1.00 0.00 N ATOM 410 CA SER A 27 1.953 8.939 -4.122 1.00 0.00 C ATOM 411 C SER A 27 1.584 8.914 -2.639 1.00 0.00 C ATOM 412 O SER A 27 2.103 8.098 -1.874 1.00 0.00 O ATOM 413 CB SER A 27 0.918 8.149 -4.928 1.00 0.00 C ATOM 414 OG SER A 27 1.045 8.404 -6.319 1.00 0.00 O ATOM 0 H SER A 27 3.571 7.685 -3.661 1.00 0.00 H new ATOM 0 HA SER A 27 1.955 9.976 -4.459 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.043 7.083 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.085 8.416 -4.597 1.00 0.00 H new ATOM 0 HG SER A 27 1.831 8.967 -6.478 1.00 0.00 H new ATOM 420 N LEU A 28 0.682 9.814 -2.243 1.00 0.00 N ATOM 421 CA LEU A 28 0.234 9.897 -0.851 1.00 0.00 C ATOM 422 C LEU A 28 -1.217 10.371 -0.764 1.00 0.00 C ATOM 423 O LEU A 28 -2.021 9.793 -0.032 1.00 0.00 O ATOM 424 CB LEU A 28 1.137 10.837 -0.048 1.00 0.00 C ATOM 425 CG LEU A 28 2.493 10.252 0.361 1.00 0.00 C ATOM 426 CD1 LEU A 28 3.289 11.274 1.157 1.00 0.00 C ATOM 427 CD2 LEU A 28 2.306 8.972 1.166 1.00 0.00 C ATOM 0 H LEU A 28 0.248 10.495 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 28 0.296 8.896 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.311 11.738 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.605 11.143 0.853 1.00 0.00 H new ATOM 0 HG LEU A 28 3.050 10.006 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.250 10.845 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.454 12.162 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.734 11.548 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.281 8.573 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.730 9.189 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.773 8.237 0.563 1.00 0.00 H new ATOM 439 N ASN A 29 -1.547 11.422 -1.514 1.00 0.00 N ATOM 440 CA ASN A 29 -2.905 11.962 -1.521 1.00 0.00 C ATOM 441 C ASN A 29 -3.763 11.266 -2.579 1.00 0.00 C ATOM 442 O ASN A 29 -4.941 10.989 -2.353 1.00 0.00 O ATOM 443 CB ASN A 29 -2.886 13.471 -1.786 1.00 0.00 C ATOM 444 CG ASN A 29 -2.070 14.240 -0.764 1.00 0.00 C ATOM 445 OD1 ASN A 29 -0.846 14.333 -0.874 1.00 0.00 O ATOM 446 ND2 ASN A 29 -2.743 14.797 0.238 1.00 0.00 N ATOM 0 H ASN A 29 -0.894 11.915 -2.123 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.340 11.779 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.480 13.655 -2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.909 13.848 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.246 15.326 0.954 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.757 14.695 0.291 1.00 0.00 H new ATOM 453 N ASP A 30 -3.158 10.991 -3.739 1.00 0.00 N ATOM 454 CA ASP A 30 -3.858 10.334 -4.846 1.00 0.00 C ATOM 455 C ASP A 30 -4.298 8.916 -4.476 1.00 0.00 C ATOM 456 O ASP A 30 -5.361 8.463 -4.901 1.00 0.00 O ATOM 457 CB ASP A 30 -2.957 10.288 -6.082 1.00 0.00 C ATOM 458 CG ASP A 30 -2.831 11.638 -6.759 1.00 0.00 C ATOM 459 OD1 ASP A 30 -2.113 12.508 -6.219 1.00 0.00 O ATOM 460 OD2 ASP A 30 -3.448 11.827 -7.827 1.00 0.00 O ATOM 0 H ASP A 30 -2.182 11.214 -3.935 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.752 10.918 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.967 9.936 -5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.357 9.565 -6.793 1.00 0.00 H new ATOM 465 N ILE A 31 -3.474 8.220 -3.689 1.00 0.00 N ATOM 466 CA ILE A 31 -3.788 6.851 -3.271 1.00 0.00 C ATOM 467 C ILE A 31 -5.127 6.778 -2.546 1.00 0.00 C ATOM 468 O ILE A 31 -5.792 5.751 -2.579 1.00 0.00 O ATOM 469 CB ILE A 31 -2.701 6.254 -2.358 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.463 7.159 -1.149 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.415 6.040 -3.143 1.00 0.00 C ATOM 472 CD1 ILE A 31 -1.336 6.694 -0.252 1.00 0.00 C ATOM 0 H ILE A 31 -2.589 8.579 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.837 6.266 -4.190 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.041 5.286 -1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.244 8.168 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.381 7.217 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.654 5.618 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.603 5.354 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.066 6.995 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.227 7.386 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.561 5.698 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.407 6.663 -0.821 1.00 0.00 H new ATOM 484 N ASP A 32 -5.523 7.876 -1.905 1.00 0.00 N ATOM 485 CA ASP A 32 -6.791 7.929 -1.186 1.00 0.00 C ATOM 486 C ASP A 32 -7.950 7.576 -2.118 1.00 0.00 C ATOM 487 O ASP A 32 -8.945 6.984 -1.694 1.00 0.00 O ATOM 488 CB ASP A 32 -6.996 9.325 -0.591 1.00 0.00 C ATOM 489 CG ASP A 32 -8.222 9.418 0.302 1.00 0.00 C ATOM 490 OD1 ASP A 32 -8.605 8.393 0.910 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.795 10.522 0.394 1.00 0.00 O ATOM 0 H ASP A 32 -4.983 8.740 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.765 7.199 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.113 9.601 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.088 10.049 -1.401 1.00 0.00 H new ATOM 496 N GLN A 33 -7.811 7.944 -3.391 1.00 0.00 N ATOM 497 CA GLN A 33 -8.835 7.673 -4.389 1.00 0.00 C ATOM 498 C GLN A 33 -8.726 6.251 -4.940 1.00 0.00 C ATOM 499 O GLN A 33 -9.734 5.555 -5.071 1.00 0.00 O ATOM 500 CB GLN A 33 -8.739 8.693 -5.528 1.00 0.00 C ATOM 501 CG GLN A 33 -9.868 8.593 -6.540 1.00 0.00 C ATOM 502 CD GLN A 33 -9.883 9.754 -7.518 1.00 0.00 C ATOM 503 OE1 GLN A 33 -9.317 10.815 -7.249 1.00 0.00 O ATOM 504 NE2 GLN A 33 -10.532 9.563 -8.660 1.00 0.00 N ATOM 0 H GLN A 33 -6.993 8.433 -3.753 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.807 7.764 -3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.732 9.697 -5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.788 8.558 -6.044 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.773 7.659 -7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.821 8.555 -6.012 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.988 8.669 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.575 10.310 -9.353 1.00 0.00 H new ATOM 513 N LEU A 34 -7.503 5.818 -5.256 1.00 0.00 N ATOM 514 CA LEU A 34 -7.290 4.470 -5.785 1.00 0.00 C ATOM 515 C LEU A 34 -7.409 3.415 -4.683 1.00 0.00 C ATOM 516 O LEU A 34 -7.652 2.239 -4.961 1.00 0.00 O ATOM 517 CB LEU A 34 -5.924 4.373 -6.469 1.00 0.00 C ATOM 518 CG LEU A 34 -4.716 4.290 -5.527 1.00 0.00 C ATOM 519 CD1 LEU A 34 -4.423 2.846 -5.153 1.00 0.00 C ATOM 520 CD2 LEU A 34 -3.498 4.932 -6.172 1.00 0.00 C ATOM 0 H LEU A 34 -6.654 6.375 -5.156 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.068 4.274 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.921 3.493 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.799 5.241 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.954 4.836 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.563 2.811 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.290 2.417 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.206 2.274 -6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.649 4.866 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.261 4.412 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.710 5.979 -6.387 1.00 0.00 H new ATOM 532 N ALA A 35 -7.242 3.846 -3.434 1.00 0.00 N ATOM 533 CA ALA A 35 -7.338 2.946 -2.287 1.00 0.00 C ATOM 534 C ALA A 35 -8.777 2.850 -1.784 1.00 0.00 C ATOM 535 O ALA A 35 -9.127 1.909 -1.068 1.00 0.00 O ATOM 536 CB ALA A 35 -6.409 3.395 -1.169 1.00 0.00 C ATOM 0 H ALA A 35 -7.039 4.816 -3.191 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.027 1.954 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.497 2.710 -0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.380 3.396 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.683 4.401 -0.850 1.00 0.00 H new ATOM 542 N ARG A 36 -9.613 3.819 -2.175 1.00 0.00 N ATOM 543 CA ARG A 36 -11.019 3.828 -1.776 1.00 0.00 C ATOM 544 C ARG A 36 -11.709 2.535 -2.222 1.00 0.00 C ATOM 545 O ARG A 36 -12.692 2.105 -1.617 1.00 0.00 O ATOM 546 CB ARG A 36 -11.733 5.043 -2.377 1.00 0.00 C ATOM 547 CG ARG A 36 -13.128 5.267 -1.820 1.00 0.00 C ATOM 548 CD ARG A 36 -14.197 4.757 -2.775 1.00 0.00 C ATOM 549 NE ARG A 36 -15.450 5.495 -2.641 1.00 0.00 N ATOM 550 CZ ARG A 36 -15.673 6.697 -3.178 1.00 0.00 C ATOM 551 NH1 ARG A 36 -14.719 7.315 -3.873 1.00 0.00 N ATOM 552 NH2 ARG A 36 -16.854 7.286 -3.016 1.00 0.00 N ATOM 0 H ARG A 36 -9.338 4.604 -2.766 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.071 3.893 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.131 5.934 -2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.798 4.917 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.224 4.759 -0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.281 6.330 -1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.836 4.839 -3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.378 3.699 -2.585 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.202 5.065 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.810 6.870 -3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.898 8.233 -4.280 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.588 6.820 -2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.026 8.204 -3.425 1.00 0.00 H new ATOM 566 N LEU A 37 -11.176 1.920 -3.278 1.00 0.00 N ATOM 567 CA LEU A 37 -11.719 0.672 -3.800 1.00 0.00 C ATOM 568 C LEU A 37 -10.994 -0.523 -3.184 1.00 0.00 C ATOM 569 O LEU A 37 -11.600 -1.561 -2.918 1.00 0.00 O ATOM 570 CB LEU A 37 -11.587 0.639 -5.322 1.00 0.00 C ATOM 571 CG LEU A 37 -12.830 1.089 -6.092 1.00 0.00 C ATOM 572 CD1 LEU A 37 -13.095 2.570 -5.856 1.00 0.00 C ATOM 573 CD2 LEU A 37 -12.674 0.798 -7.579 1.00 0.00 C ATOM 0 H LEU A 37 -10.365 2.270 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.775 0.613 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.750 1.274 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.338 -0.377 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.687 0.525 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.983 2.874 -6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.254 2.746 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.238 3.152 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.568 1.125 -8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.807 1.333 -7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.535 -0.273 -7.728 1.00 0.00 H new ATOM 585 N ILE A 38 -9.689 -0.359 -2.953 1.00 0.00 N ATOM 586 CA ILE A 38 -8.870 -1.413 -2.359 1.00 0.00 C ATOM 587 C ILE A 38 -9.298 -1.710 -0.920 1.00 0.00 C ATOM 588 O ILE A 38 -9.110 -2.823 -0.431 1.00 0.00 O ATOM 589 CB ILE A 38 -7.371 -1.039 -2.370 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.919 -0.676 -3.789 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.527 -2.176 -1.816 1.00 0.00 C ATOM 592 CD1 ILE A 38 -6.998 -1.828 -4.770 1.00 0.00 C ATOM 0 H ILE A 38 -9.178 0.497 -3.170 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.021 -2.304 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.232 -0.168 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.534 0.145 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.892 -0.313 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.475 -1.890 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.829 -2.387 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.671 -3.067 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.662 -1.494 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.361 -2.643 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.028 -2.177 -4.839 1.00 0.00 H new ATOM 604 N ARG A 39 -9.886 -0.717 -0.247 1.00 0.00 N ATOM 605 CA ARG A 39 -10.344 -0.892 1.128 1.00 0.00 C ATOM 606 C ARG A 39 -11.626 -1.721 1.169 1.00 0.00 C ATOM 607 O ARG A 39 -11.943 -2.335 2.188 1.00 0.00 O ATOM 608 CB ARG A 39 -10.573 0.465 1.807 1.00 0.00 C ATOM 609 CG ARG A 39 -11.581 1.357 1.092 1.00 0.00 C ATOM 610 CD ARG A 39 -12.564 1.991 2.068 1.00 0.00 C ATOM 611 NE ARG A 39 -11.889 2.702 3.159 1.00 0.00 N ATOM 612 CZ ARG A 39 -12.488 3.597 3.950 1.00 0.00 C ATOM 613 NH1 ARG A 39 -13.769 3.906 3.774 1.00 0.00 N ATOM 614 NH2 ARG A 39 -11.800 4.184 4.924 1.00 0.00 N ATOM 0 H ARG A 39 -10.054 0.212 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.565 -1.425 1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.915 0.295 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.621 0.991 1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.053 2.140 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.128 0.770 0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.209 2.685 1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.207 1.217 2.486 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.903 2.501 3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.304 3.459 3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.217 4.591 4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.817 3.951 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.255 4.868 5.529 1.00 0.00 H new ATOM 628 N ALA A 40 -12.359 -1.738 0.052 1.00 0.00 N ATOM 629 CA ALA A 40 -13.603 -2.493 -0.039 1.00 0.00 C ATOM 630 C ALA A 40 -13.364 -3.960 -0.429 1.00 0.00 C ATOM 631 O ALA A 40 -14.312 -4.741 -0.529 1.00 0.00 O ATOM 632 CB ALA A 40 -14.548 -1.832 -1.035 1.00 0.00 C ATOM 0 H ALA A 40 -12.109 -1.236 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.058 -2.489 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.473 -2.405 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.770 -0.817 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.077 -1.801 -2.018 1.00 0.00 H new ATOM 638 N ASN A 41 -12.098 -4.328 -0.660 1.00 0.00 N ATOM 639 CA ASN A 41 -11.750 -5.698 -1.048 1.00 0.00 C ATOM 640 C ASN A 41 -12.028 -6.706 0.071 1.00 0.00 C ATOM 641 O ASN A 41 -12.269 -7.884 -0.192 1.00 0.00 O ATOM 642 CB ASN A 41 -10.274 -5.772 -1.464 1.00 0.00 C ATOM 643 CG ASN A 41 -9.303 -5.654 -0.299 1.00 0.00 C ATOM 644 OD1 ASN A 41 -9.639 -5.133 0.764 1.00 0.00 O ATOM 645 ND2 ASN A 41 -8.081 -6.130 -0.502 1.00 0.00 N ATOM 0 H ASN A 41 -11.300 -3.697 -0.585 1.00 0.00 H new ATOM 0 HA ASN A 41 -12.384 -5.965 -1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.098 -6.717 -1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.067 -4.976 -2.180 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.381 -6.071 0.238 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.841 -6.555 -1.398 1.00 0.00 H new ATOM 652 N GLY A 42 -11.977 -6.240 1.313 1.00 0.00 N ATOM 653 CA GLY A 42 -12.212 -7.114 2.451 1.00 0.00 C ATOM 654 C GLY A 42 -11.159 -6.950 3.533 1.00 0.00 C ATOM 655 O GLY A 42 -11.417 -7.234 4.703 1.00 0.00 O ATOM 0 H GLY A 42 -11.777 -5.270 1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.196 -6.904 2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.224 -8.150 2.114 1.00 0.00 H new ATOM 659 N GLY A 43 -9.972 -6.481 3.140 1.00 0.00 N ATOM 660 CA GLY A 43 -8.894 -6.272 4.090 1.00 0.00 C ATOM 661 C GLY A 43 -9.049 -4.972 4.854 1.00 0.00 C ATOM 662 O GLY A 43 -10.109 -4.703 5.423 1.00 0.00 O ATOM 0 H GLY A 43 -9.741 -6.242 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.866 -7.104 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.941 -6.269 3.561 1.00 0.00 H new ATOM 666 N GLU A 44 -7.993 -4.163 4.864 1.00 0.00 N ATOM 667 CA GLU A 44 -8.013 -2.881 5.557 1.00 0.00 C ATOM 668 C GLU A 44 -6.834 -2.020 5.124 1.00 0.00 C ATOM 669 O GLU A 44 -5.687 -2.449 5.213 1.00 0.00 O ATOM 670 CB GLU A 44 -7.971 -3.095 7.073 1.00 0.00 C ATOM 671 CG GLU A 44 -8.163 -1.820 7.877 1.00 0.00 C ATOM 672 CD GLU A 44 -9.508 -1.770 8.575 1.00 0.00 C ATOM 673 OE1 GLU A 44 -9.700 -2.529 9.546 1.00 0.00 O ATOM 674 OE2 GLU A 44 -10.368 -0.971 8.150 1.00 0.00 O ATOM 0 H GLU A 44 -7.111 -4.375 4.398 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.938 -2.366 5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.746 -3.809 7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.014 -3.542 7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.369 -1.740 8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.069 -0.959 7.215 1.00 0.00 H new ATOM 681 N VAL A 45 -7.123 -0.807 4.660 1.00 0.00 N ATOM 682 CA VAL A 45 -6.078 0.114 4.219 1.00 0.00 C ATOM 683 C VAL A 45 -6.382 1.543 4.669 1.00 0.00 C ATOM 684 O VAL A 45 -7.485 2.047 4.464 1.00 0.00 O ATOM 685 CB VAL A 45 -5.898 0.082 2.685 1.00 0.00 C ATOM 686 CG1 VAL A 45 -7.177 0.509 1.981 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.729 0.962 2.268 1.00 0.00 C ATOM 0 H VAL A 45 -8.071 -0.439 4.580 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.148 -0.217 4.682 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.678 -0.943 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.026 0.479 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.986 -0.169 2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.437 1.524 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.616 0.928 1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.917 1.989 2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.815 0.600 2.739 1.00 0.00 H new ATOM 697 N LEU A 46 -5.389 2.182 5.285 1.00 0.00 N ATOM 698 CA LEU A 46 -5.539 3.553 5.772 1.00 0.00 C ATOM 699 C LEU A 46 -4.482 4.462 5.156 1.00 0.00 C ATOM 700 O LEU A 46 -3.340 4.485 5.612 1.00 0.00 O ATOM 701 CB LEU A 46 -5.428 3.596 7.302 1.00 0.00 C ATOM 702 CG LEU A 46 -6.115 2.445 8.044 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.658 2.391 9.496 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.630 2.582 7.964 1.00 0.00 C ATOM 0 H LEU A 46 -4.471 1.772 5.459 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.526 3.909 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.372 3.601 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.852 4.537 7.654 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.830 1.510 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.158 1.567 10.004 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.579 2.239 9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.909 3.329 9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.099 1.755 8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.935 3.525 8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.942 2.564 6.920 1.00 0.00 H new ATOM 716 N ASP A 47 -4.865 5.208 4.121 1.00 0.00 N ATOM 717 CA ASP A 47 -3.934 6.119 3.452 1.00 0.00 C ATOM 718 C ASP A 47 -3.677 7.359 4.308 1.00 0.00 C ATOM 719 O ASP A 47 -4.542 8.226 4.442 1.00 0.00 O ATOM 720 CB ASP A 47 -4.457 6.520 2.062 1.00 0.00 C ATOM 721 CG ASP A 47 -5.852 7.113 2.107 1.00 0.00 C ATOM 722 OD1 ASP A 47 -6.827 6.334 2.169 1.00 0.00 O ATOM 723 OD2 ASP A 47 -5.970 8.355 2.077 1.00 0.00 O ATOM 0 H ASP A 47 -5.806 5.201 3.729 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.989 5.593 3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.774 7.243 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.460 5.644 1.414 1.00 0.00 H new ATOM 728 N SER A 48 -2.486 7.426 4.898 1.00 0.00 N ATOM 729 CA SER A 48 -2.115 8.549 5.752 1.00 0.00 C ATOM 730 C SER A 48 -0.710 9.046 5.420 1.00 0.00 C ATOM 731 O SER A 48 0.252 8.277 5.445 1.00 0.00 O ATOM 732 CB SER A 48 -2.189 8.136 7.223 1.00 0.00 C ATOM 733 OG SER A 48 -2.574 9.226 8.044 1.00 0.00 O ATOM 0 H SER A 48 -1.762 6.715 4.800 1.00 0.00 H new ATOM 0 HA SER A 48 -2.818 9.362 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.903 7.320 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.219 7.759 7.547 1.00 0.00 H new ATOM 0 HG SER A 48 -2.615 8.933 8.978 1.00 0.00 H new ATOM 739 N LYS A 49 -0.605 10.337 5.107 1.00 0.00 N ATOM 740 CA LYS A 49 0.679 10.944 4.770 1.00 0.00 C ATOM 741 C LYS A 49 1.648 10.890 5.955 1.00 0.00 C ATOM 742 O LYS A 49 1.224 10.857 7.112 1.00 0.00 O ATOM 743 CB LYS A 49 0.481 12.400 4.336 1.00 0.00 C ATOM 744 CG LYS A 49 -0.427 12.558 3.126 1.00 0.00 C ATOM 745 CD LYS A 49 -0.056 13.786 2.308 1.00 0.00 C ATOM 746 CE LYS A 49 -0.551 15.066 2.965 1.00 0.00 C ATOM 747 NZ LYS A 49 -0.079 16.284 2.245 1.00 0.00 N ATOM 0 H LYS A 49 -1.395 10.982 5.080 1.00 0.00 H new ATOM 0 HA LYS A 49 1.109 10.374 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.063 12.965 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.453 12.838 4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.359 11.668 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.463 12.638 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.027 13.832 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.482 13.701 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.641 15.061 2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.206 15.100 3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.439 17.133 2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.961 16.303 2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.429 16.266 1.266 1.00 0.00 H new ATOM 761 N PRO A 50 2.968 10.880 5.678 1.00 0.00 N ATOM 762 CA PRO A 50 4.000 10.834 6.723 1.00 0.00 C ATOM 763 C PRO A 50 3.935 12.042 7.655 1.00 0.00 C ATOM 764 O PRO A 50 3.898 13.187 7.199 1.00 0.00 O ATOM 765 CB PRO A 50 5.318 10.834 5.938 1.00 0.00 C ATOM 766 CG PRO A 50 4.970 11.352 4.585 1.00 0.00 C ATOM 767 CD PRO A 50 3.556 10.917 4.328 1.00 0.00 C ATOM 0 HA PRO A 50 3.879 9.965 7.370 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.064 11.466 6.421 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.740 9.831 5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.057 12.438 4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.645 10.952 3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.031 11.617 3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.516 9.941 3.844 1.00 0.00 H new ATOM 775 N ARG A 51 3.918 11.777 8.961 1.00 0.00 N ATOM 776 CA ARG A 51 3.855 12.840 9.961 1.00 0.00 C ATOM 777 C ARG A 51 4.835 12.580 11.104 1.00 0.00 C ATOM 778 O ARG A 51 5.854 13.259 11.222 1.00 0.00 O ATOM 779 CB ARG A 51 2.433 12.958 10.515 1.00 0.00 C ATOM 780 CG ARG A 51 2.187 14.235 11.299 1.00 0.00 C ATOM 781 CD ARG A 51 1.597 15.327 10.418 1.00 0.00 C ATOM 782 NE ARG A 51 1.654 16.641 11.059 1.00 0.00 N ATOM 783 CZ ARG A 51 1.457 17.798 10.420 1.00 0.00 C ATOM 784 NH1 ARG A 51 1.182 17.813 9.118 1.00 0.00 N ATOM 785 NH2 ARG A 51 1.533 18.944 11.086 1.00 0.00 N ATOM 0 H ARG A 51 3.947 10.835 9.350 1.00 0.00 H new ATOM 0 HA ARG A 51 4.134 13.776 9.476 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.725 12.908 9.688 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.231 12.102 11.159 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.510 14.029 12.128 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.125 14.583 11.733 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.138 15.361 9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.561 15.083 10.184 1.00 0.00 H new ATOM 0 HE ARG A 51 1.857 16.676 12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.120 16.937 8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.033 18.701 8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.742 18.941 12.084 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.383 19.828 10.599 1.00 0.00 H new ATOM 799 N GLU A 52 4.518 11.592 11.943 1.00 0.00 N ATOM 800 CA GLU A 52 5.371 11.246 13.072 1.00 0.00 C ATOM 801 C GLU A 52 6.380 10.174 12.678 1.00 0.00 C ATOM 802 O GLU A 52 6.008 9.093 12.221 1.00 0.00 O ATOM 803 CB GLU A 52 4.527 10.753 14.252 1.00 0.00 C ATOM 804 CG GLU A 52 3.594 11.810 14.824 1.00 0.00 C ATOM 805 CD GLU A 52 4.244 12.631 15.919 1.00 0.00 C ATOM 806 OE1 GLU A 52 5.018 13.554 15.587 1.00 0.00 O ATOM 807 OE2 GLU A 52 3.980 12.353 17.107 1.00 0.00 O ATOM 0 H GLU A 52 3.677 11.021 11.859 1.00 0.00 H new ATOM 0 HA GLU A 52 5.912 12.144 13.372 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.936 9.896 13.931 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.192 10.403 15.041 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.268 12.473 14.023 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.701 11.325 15.220 1.00 0.00 H new ATOM 814 N SER A 53 7.660 10.485 12.863 1.00 0.00 N ATOM 815 CA SER A 53 8.732 9.552 12.532 1.00 0.00 C ATOM 816 C SER A 53 9.271 8.878 13.791 1.00 0.00 C ATOM 817 O SER A 53 10.110 9.437 14.499 1.00 0.00 O ATOM 818 CB SER A 53 9.863 10.275 11.793 1.00 0.00 C ATOM 819 OG SER A 53 10.409 9.454 10.775 1.00 0.00 O ATOM 0 H SER A 53 7.980 11.377 13.241 1.00 0.00 H new ATOM 0 HA SER A 53 8.322 8.782 11.878 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.485 11.199 11.356 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.645 10.553 12.500 1.00 0.00 H new ATOM 0 HG SER A 53 11.128 9.937 10.316 1.00 0.00 H new ATOM 825 N LYS A 54 8.775 7.674 14.063 1.00 0.00 N ATOM 826 CA LYS A 54 9.196 6.910 15.235 1.00 0.00 C ATOM 827 C LYS A 54 9.590 5.481 14.852 1.00 0.00 C ATOM 828 O LYS A 54 9.485 4.562 15.667 1.00 0.00 O ATOM 829 CB LYS A 54 8.065 6.884 16.270 1.00 0.00 C ATOM 830 CG LYS A 54 6.790 6.218 15.769 1.00 0.00 C ATOM 831 CD LYS A 54 5.759 6.080 16.878 1.00 0.00 C ATOM 832 CE LYS A 54 4.358 6.422 16.387 1.00 0.00 C ATOM 833 NZ LYS A 54 3.724 5.286 15.660 1.00 0.00 N ATOM 0 H LYS A 54 8.078 7.204 13.485 1.00 0.00 H new ATOM 0 HA LYS A 54 10.071 7.397 15.665 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.412 6.360 17.161 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.836 7.906 16.570 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.370 6.804 14.951 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.027 5.233 15.367 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.772 5.060 17.262 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.025 6.736 17.707 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.735 6.701 17.237 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.407 7.290 15.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.689 5.364 15.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.008 5.312 14.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.032 4.388 16.083 1.00 0.00 H new ATOM 847 N GLU A 55 10.032 5.302 13.603 1.00 0.00 N ATOM 848 CA GLU A 55 10.429 3.987 13.095 1.00 0.00 C ATOM 849 C GLU A 55 9.276 2.980 13.176 1.00 0.00 C ATOM 850 O GLU A 55 9.494 1.767 13.150 1.00 0.00 O ATOM 851 CB GLU A 55 11.650 3.460 13.855 1.00 0.00 C ATOM 852 CG GLU A 55 12.663 2.763 12.956 1.00 0.00 C ATOM 853 CD GLU A 55 14.086 2.866 13.472 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.509 3.985 13.838 1.00 0.00 O ATOM 855 OE2 GLU A 55 14.780 1.830 13.505 1.00 0.00 O ATOM 0 H GLU A 55 10.124 6.057 12.923 1.00 0.00 H new ATOM 0 HA GLU A 55 10.694 4.108 12.045 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.138 4.290 14.365 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.318 2.764 14.625 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.393 1.711 12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.613 3.197 11.957 1.00 0.00 H new ATOM 862 N ASN A 56 8.052 3.494 13.267 1.00 0.00 N ATOM 863 CA ASN A 56 6.862 2.651 13.347 1.00 0.00 C ATOM 864 C ASN A 56 5.899 2.937 12.190 1.00 0.00 C ATOM 865 O ASN A 56 5.013 2.129 11.905 1.00 0.00 O ATOM 866 CB ASN A 56 6.147 2.871 14.682 1.00 0.00 C ATOM 867 CG ASN A 56 5.392 1.640 15.146 1.00 0.00 C ATOM 868 OD1 ASN A 56 5.803 0.966 16.089 1.00 0.00 O ATOM 869 ND2 ASN A 56 4.279 1.340 14.483 1.00 0.00 N ATOM 0 H ASN A 56 7.858 4.495 13.287 1.00 0.00 H new ATOM 0 HA ASN A 56 7.184 1.612 13.275 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.878 3.152 15.440 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.452 3.705 14.585 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.730 0.523 14.751 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.974 1.927 13.706 1.00 0.00 H new ATOM 876 N VAL A 57 6.070 4.084 11.527 1.00 0.00 N ATOM 877 CA VAL A 57 5.211 4.454 10.411 1.00 0.00 C ATOM 878 C VAL A 57 5.752 3.898 9.095 1.00 0.00 C ATOM 879 O VAL A 57 6.807 4.318 8.616 1.00 0.00 O ATOM 880 CB VAL A 57 5.038 5.989 10.303 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.108 6.494 11.396 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.380 6.709 10.375 1.00 0.00 C ATOM 0 H VAL A 57 6.795 4.767 11.747 1.00 0.00 H new ATOM 0 HA VAL A 57 4.232 4.015 10.605 1.00 0.00 H new ATOM 0 HB VAL A 57 4.595 6.207 9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.996 7.575 11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.133 6.018 11.293 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.528 6.251 12.372 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.221 7.784 10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.864 6.483 11.325 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.016 6.375 9.555 1.00 0.00 H new ATOM 892 N PHE A 58 5.013 2.955 8.512 1.00 0.00 N ATOM 893 CA PHE A 58 5.403 2.343 7.242 1.00 0.00 C ATOM 894 C PHE A 58 4.175 1.860 6.470 1.00 0.00 C ATOM 895 O PHE A 58 3.101 1.685 7.041 1.00 0.00 O ATOM 896 CB PHE A 58 6.367 1.168 7.470 1.00 0.00 C ATOM 897 CG PHE A 58 6.031 0.320 8.667 1.00 0.00 C ATOM 898 CD1 PHE A 58 4.876 -0.448 8.685 1.00 0.00 C ATOM 899 CD2 PHE A 58 6.866 0.292 9.774 1.00 0.00 C ATOM 900 CE1 PHE A 58 4.562 -1.227 9.783 1.00 0.00 C ATOM 901 CE2 PHE A 58 6.557 -0.485 10.874 1.00 0.00 C ATOM 902 CZ PHE A 58 5.402 -1.245 10.879 1.00 0.00 C ATOM 0 H PHE A 58 4.140 2.598 8.899 1.00 0.00 H new ATOM 0 HA PHE A 58 5.913 3.105 6.653 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.370 0.537 6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.378 1.559 7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.214 -0.437 7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.769 0.885 9.776 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.660 -1.821 9.784 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.217 -0.499 11.729 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.157 -1.852 11.738 1.00 0.00 H new ATOM 912 N ILE A 59 4.346 1.648 5.168 1.00 0.00 N ATOM 913 CA ILE A 59 3.263 1.181 4.312 1.00 0.00 C ATOM 914 C ILE A 59 3.446 -0.300 3.962 1.00 0.00 C ATOM 915 O ILE A 59 4.406 -0.672 3.289 1.00 0.00 O ATOM 916 CB ILE A 59 3.171 2.028 3.017 1.00 0.00 C ATOM 917 CG1 ILE A 59 2.166 1.419 2.029 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.540 2.176 2.369 1.00 0.00 C ATOM 919 CD1 ILE A 59 2.161 2.086 0.670 1.00 0.00 C ATOM 0 H ILE A 59 5.231 1.794 4.682 1.00 0.00 H new ATOM 0 HA ILE A 59 2.331 1.296 4.865 1.00 0.00 H new ATOM 0 HB ILE A 59 2.814 3.021 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.392 0.360 1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.166 1.482 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.451 2.774 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.220 2.670 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.932 1.191 2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.426 1.600 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.904 3.139 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.149 2.000 0.219 1.00 0.00 H new ATOM 931 N VAL A 60 2.520 -1.141 4.434 1.00 0.00 N ATOM 932 CA VAL A 60 2.587 -2.579 4.173 1.00 0.00 C ATOM 933 C VAL A 60 1.765 -2.956 2.938 1.00 0.00 C ATOM 934 O VAL A 60 0.783 -2.291 2.604 1.00 0.00 O ATOM 935 CB VAL A 60 2.118 -3.420 5.393 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.539 -2.766 6.704 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.610 -3.647 5.371 1.00 0.00 C ATOM 0 H VAL A 60 1.720 -0.851 4.996 1.00 0.00 H new ATOM 0 HA VAL A 60 3.636 -2.811 3.987 1.00 0.00 H new ATOM 0 HB VAL A 60 2.605 -4.393 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.198 -3.376 7.541 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.625 -2.681 6.736 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.095 -1.773 6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.318 -4.239 6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.097 -2.686 5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.335 -4.179 4.460 1.00 0.00 H new ATOM 947 N SER A 61 2.182 -4.026 2.264 1.00 0.00 N ATOM 948 CA SER A 61 1.498 -4.498 1.060 1.00 0.00 C ATOM 949 C SER A 61 0.581 -5.682 1.363 1.00 0.00 C ATOM 950 O SER A 61 0.724 -6.345 2.393 1.00 0.00 O ATOM 951 CB SER A 61 2.518 -4.893 -0.014 1.00 0.00 C ATOM 952 OG SER A 61 3.677 -5.470 0.565 1.00 0.00 O ATOM 0 H SER A 61 2.993 -4.584 2.532 1.00 0.00 H new ATOM 0 HA SER A 61 0.883 -3.678 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.064 -5.601 -0.707 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.798 -4.014 -0.594 1.00 0.00 H new ATOM 0 HG SER A 61 4.129 -6.032 -0.099 1.00 0.00 H new ATOM 958 N PRO A 62 -0.372 -5.967 0.453 1.00 0.00 N ATOM 959 CA PRO A 62 -1.317 -7.082 0.609 1.00 0.00 C ATOM 960 C PRO A 62 -0.610 -8.433 0.681 1.00 0.00 C ATOM 961 O PRO A 62 0.250 -8.733 -0.149 1.00 0.00 O ATOM 962 CB PRO A 62 -2.188 -7.002 -0.651 1.00 0.00 C ATOM 963 CG PRO A 62 -1.379 -6.218 -1.627 1.00 0.00 C ATOM 964 CD PRO A 62 -0.596 -5.236 -0.807 1.00 0.00 C ATOM 0 HA PRO A 62 -1.884 -7.004 1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.418 -7.995 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.140 -6.513 -0.443 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.716 -6.868 -2.198 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.020 -5.706 -2.345 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.343 -4.964 -1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.150 -4.312 -0.645 1.00 0.00 H new ATOM 972 N TYR A 63 -0.977 -9.237 1.681 1.00 0.00 N ATOM 973 CA TYR A 63 -0.382 -10.561 1.878 1.00 0.00 C ATOM 974 C TYR A 63 1.045 -10.475 2.437 1.00 0.00 C ATOM 975 O TYR A 63 1.711 -11.499 2.604 1.00 0.00 O ATOM 976 CB TYR A 63 -0.381 -11.347 0.562 1.00 0.00 C ATOM 977 CG TYR A 63 -1.104 -12.672 0.639 1.00 0.00 C ATOM 978 CD1 TYR A 63 -0.657 -13.682 1.483 1.00 0.00 C ATOM 979 CD2 TYR A 63 -2.232 -12.915 -0.134 1.00 0.00 C ATOM 980 CE1 TYR A 63 -1.314 -14.894 1.554 1.00 0.00 C ATOM 981 CE2 TYR A 63 -2.895 -14.125 -0.069 1.00 0.00 C ATOM 982 CZ TYR A 63 -2.431 -15.112 0.776 1.00 0.00 C ATOM 983 OH TYR A 63 -3.088 -16.319 0.843 1.00 0.00 O ATOM 0 H TYR A 63 -1.688 -8.993 2.371 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.994 -11.083 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.843 -10.737 -0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.650 -11.524 0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.219 -13.516 2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.597 -12.145 -0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.955 -15.668 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.771 -14.297 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.855 -16.308 0.233 1.00 0.00 H new ATOM 993 N ASN A 64 1.511 -9.258 2.728 1.00 0.00 N ATOM 994 CA ASN A 64 2.852 -9.065 3.270 1.00 0.00 C ATOM 995 C ASN A 64 2.829 -9.129 4.794 1.00 0.00 C ATOM 996 O ASN A 64 2.514 -8.143 5.465 1.00 0.00 O ATOM 997 CB ASN A 64 3.429 -7.724 2.802 1.00 0.00 C ATOM 998 CG ASN A 64 4.811 -7.865 2.193 1.00 0.00 C ATOM 999 OD1 ASN A 64 5.810 -7.466 2.792 1.00 0.00 O ATOM 1000 ND2 ASN A 64 4.878 -8.435 0.993 1.00 0.00 N ATOM 0 H ASN A 64 0.980 -8.397 2.597 1.00 0.00 H new ATOM 0 HA ASN A 64 3.491 -9.867 2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.756 -7.279 2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.477 -7.038 3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.782 -8.555 0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.026 -8.752 0.531 1.00 0.00 H new ATOM 1007 N HIS A 65 3.166 -10.299 5.336 1.00 0.00 N ATOM 1008 CA HIS A 65 3.190 -10.500 6.782 1.00 0.00 C ATOM 1009 C HIS A 65 4.419 -9.840 7.400 1.00 0.00 C ATOM 1010 O HIS A 65 5.279 -9.318 6.687 1.00 0.00 O ATOM 1011 CB HIS A 65 3.175 -11.994 7.114 1.00 0.00 C ATOM 1012 CG HIS A 65 1.864 -12.469 7.658 1.00 0.00 C ATOM 1013 ND1 HIS A 65 0.727 -12.586 6.886 1.00 0.00 N ATOM 1014 CD2 HIS A 65 1.510 -12.854 8.907 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -0.268 -13.023 7.636 1.00 0.00 C ATOM 1016 NE2 HIS A 65 0.181 -13.194 8.866 1.00 0.00 N ATOM 0 H HIS A 65 3.426 -11.122 4.793 1.00 0.00 H new ATOM 0 HA HIS A 65 2.298 -10.036 7.203 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.413 -12.561 6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.959 -12.205 7.841 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.153 -12.887 9.774 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.278 -13.209 7.300 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -0.371 -13.525 9.657 1.00 0.00 H new ATOM 1025 N THR A 66 4.496 -9.860 8.732 1.00 0.00 N ATOM 1026 CA THR A 66 5.617 -9.257 9.454 1.00 0.00 C ATOM 1027 C THR A 66 5.676 -7.753 9.183 1.00 0.00 C ATOM 1028 O THR A 66 6.409 -7.299 8.302 1.00 0.00 O ATOM 1029 CB THR A 66 6.948 -9.920 9.058 1.00 0.00 C ATOM 1030 OG1 THR A 66 6.748 -11.240 8.575 1.00 0.00 O ATOM 1031 CG2 THR A 66 7.941 -9.994 10.200 1.00 0.00 C ATOM 0 H THR A 66 3.793 -10.289 9.334 1.00 0.00 H new ATOM 0 HA THR A 66 5.459 -9.418 10.520 1.00 0.00 H new ATOM 0 HB THR A 66 7.357 -9.281 8.275 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.612 -11.633 8.330 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.858 -10.472 9.855 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.167 -8.987 10.552 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.514 -10.576 11.017 1.00 0.00 H new ATOM 1039 N ASN A 67 4.888 -6.987 9.939 1.00 0.00 N ATOM 1040 CA ASN A 67 4.838 -5.533 9.776 1.00 0.00 C ATOM 1041 C ASN A 67 6.136 -4.883 10.253 1.00 0.00 C ATOM 1042 O ASN A 67 6.198 -4.317 11.347 1.00 0.00 O ATOM 1043 CB ASN A 67 3.641 -4.946 10.532 1.00 0.00 C ATOM 1044 CG ASN A 67 2.338 -5.651 10.204 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.609 -6.074 11.100 1.00 0.00 O ATOM 1046 ND2 ASN A 67 2.039 -5.788 8.916 1.00 0.00 N ATOM 0 H ASN A 67 4.276 -7.349 10.670 1.00 0.00 H new ATOM 0 HA ASN A 67 4.719 -5.319 8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.826 -5.013 11.604 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.547 -3.887 10.290 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.177 -6.259 8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.671 -5.423 8.204 1.00 0.00 H new ATOM 1053 N LEU A 68 7.166 -4.974 9.417 1.00 0.00 N ATOM 1054 CA LEU A 68 8.474 -4.402 9.729 1.00 0.00 C ATOM 1055 C LEU A 68 8.996 -3.567 8.555 1.00 0.00 C ATOM 1056 O LEU A 68 9.224 -2.367 8.704 1.00 0.00 O ATOM 1057 CB LEU A 68 9.471 -5.513 10.086 1.00 0.00 C ATOM 1058 CG LEU A 68 9.935 -5.534 11.547 1.00 0.00 C ATOM 1059 CD1 LEU A 68 8.749 -5.694 12.489 1.00 0.00 C ATOM 1060 CD2 LEU A 68 10.949 -6.647 11.768 1.00 0.00 C ATOM 0 H LEU A 68 7.120 -5.442 8.512 1.00 0.00 H new ATOM 0 HA LEU A 68 8.364 -3.744 10.591 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.016 -6.475 9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.347 -5.412 9.445 1.00 0.00 H new ATOM 0 HG LEU A 68 10.416 -4.581 11.766 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.102 -5.706 13.520 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.060 -4.861 12.351 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.235 -6.630 12.271 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.268 -6.647 12.810 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.493 -7.607 11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.814 -6.485 11.124 1.00 0.00 H new ATOM 1072 N PRO A 69 9.188 -4.183 7.365 1.00 0.00 N ATOM 1073 CA PRO A 69 9.681 -3.476 6.175 1.00 0.00 C ATOM 1074 C PRO A 69 8.643 -2.515 5.593 1.00 0.00 C ATOM 1075 O PRO A 69 7.627 -2.221 6.227 1.00 0.00 O ATOM 1076 CB PRO A 69 9.989 -4.602 5.172 1.00 0.00 C ATOM 1077 CG PRO A 69 9.892 -5.875 5.945 1.00 0.00 C ATOM 1078 CD PRO A 69 8.948 -5.605 7.076 1.00 0.00 C ATOM 0 HA PRO A 69 10.545 -2.855 6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.280 -4.593 4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.983 -4.481 4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.524 -6.686 5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.870 -6.180 6.318 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.912 -5.791 6.792 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.160 -6.235 7.940 1.00 0.00 H new ATOM 1086 N THR A 70 8.905 -2.022 4.383 1.00 0.00 N ATOM 1087 CA THR A 70 7.999 -1.091 3.715 1.00 0.00 C ATOM 1088 C THR A 70 7.897 -1.406 2.224 1.00 0.00 C ATOM 1089 O THR A 70 8.820 -1.969 1.641 1.00 0.00 O ATOM 1090 CB THR A 70 8.479 0.350 3.916 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.945 0.555 5.242 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.403 1.379 3.649 1.00 0.00 C ATOM 0 H THR A 70 9.740 -2.253 3.845 1.00 0.00 H new ATOM 0 HA THR A 70 7.009 -1.202 4.158 1.00 0.00 H new ATOM 0 HB THR A 70 9.284 0.484 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.247 1.482 5.343 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.808 2.378 3.809 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.060 1.287 2.619 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.565 1.214 4.327 1.00 0.00 H new ATOM 1100 N VAL A 71 6.770 -1.040 1.612 1.00 0.00 N ATOM 1101 CA VAL A 71 6.554 -1.288 0.186 1.00 0.00 C ATOM 1102 C VAL A 71 6.044 -0.037 -0.528 1.00 0.00 C ATOM 1103 O VAL A 71 5.730 0.966 0.112 1.00 0.00 O ATOM 1104 CB VAL A 71 5.563 -2.447 -0.046 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.128 -3.750 0.498 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.212 -2.140 0.582 1.00 0.00 C ATOM 0 H VAL A 71 5.994 -0.572 2.080 1.00 0.00 H new ATOM 0 HA VAL A 71 7.522 -1.565 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 71 5.416 -2.560 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.415 -4.556 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.065 -3.980 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.309 -3.649 1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.531 -2.972 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.334 -1.994 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.801 -1.234 0.137 1.00 0.00 H new ATOM 1116 N THR A 72 5.972 -0.097 -1.858 1.00 0.00 N ATOM 1117 CA THR A 72 5.504 1.045 -2.649 1.00 0.00 C ATOM 1118 C THR A 72 3.975 1.089 -2.728 1.00 0.00 C ATOM 1119 O THR A 72 3.315 0.049 -2.754 1.00 0.00 O ATOM 1120 CB THR A 72 6.093 1.011 -4.064 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.164 -0.319 -4.561 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.480 1.617 -4.152 1.00 0.00 C ATOM 0 H THR A 72 6.229 -0.917 -2.408 1.00 0.00 H new ATOM 0 HA THR A 72 5.848 1.946 -2.142 1.00 0.00 H new ATOM 0 HB THR A 72 5.413 1.613 -4.667 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.542 -0.311 -5.465 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.837 1.560 -5.180 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.442 2.660 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.159 1.067 -3.501 1.00 0.00 H new ATOM 1130 N PRO A 73 3.393 2.308 -2.784 1.00 0.00 N ATOM 1131 CA PRO A 73 1.936 2.498 -2.878 1.00 0.00 C ATOM 1132 C PRO A 73 1.396 2.148 -4.262 1.00 0.00 C ATOM 1133 O PRO A 73 0.282 1.638 -4.395 1.00 0.00 O ATOM 1134 CB PRO A 73 1.760 3.991 -2.606 1.00 0.00 C ATOM 1135 CG PRO A 73 3.035 4.610 -3.064 1.00 0.00 C ATOM 1136 CD PRO A 73 4.113 3.600 -2.774 1.00 0.00 C ATOM 0 HA PRO A 73 1.394 1.854 -2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.906 4.395 -3.149 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.584 4.183 -1.548 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.995 4.844 -4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.225 5.546 -2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.900 3.626 -3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.588 3.786 -1.811 1.00 0.00 H new ATOM 1144 N THR A 74 2.204 2.427 -5.289 1.00 0.00 N ATOM 1145 CA THR A 74 1.831 2.144 -6.676 1.00 0.00 C ATOM 1146 C THR A 74 1.500 0.660 -6.882 1.00 0.00 C ATOM 1147 O THR A 74 0.883 0.295 -7.885 1.00 0.00 O ATOM 1148 CB THR A 74 2.959 2.565 -7.630 1.00 0.00 C ATOM 1149 OG1 THR A 74 2.565 2.400 -8.984 1.00 0.00 O ATOM 1150 CG2 THR A 74 4.251 1.795 -7.424 1.00 0.00 C ATOM 0 H THR A 74 3.126 2.851 -5.184 1.00 0.00 H new ATOM 0 HA THR A 74 0.935 2.723 -6.899 1.00 0.00 H new ATOM 0 HB THR A 74 3.147 3.614 -7.400 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.798 1.792 -9.030 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.001 2.147 -8.133 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.610 1.953 -6.407 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.071 0.732 -7.584 1.00 0.00 H new ATOM 1158 N TYR A 75 1.907 -0.189 -5.928 1.00 0.00 N ATOM 1159 CA TYR A 75 1.648 -1.627 -6.004 1.00 0.00 C ATOM 1160 C TYR A 75 0.186 -1.918 -6.358 1.00 0.00 C ATOM 1161 O TYR A 75 -0.108 -2.919 -7.010 1.00 0.00 O ATOM 1162 CB TYR A 75 1.998 -2.301 -4.675 1.00 0.00 C ATOM 1163 CG TYR A 75 2.255 -3.786 -4.802 1.00 0.00 C ATOM 1164 CD1 TYR A 75 3.504 -4.260 -5.178 1.00 0.00 C ATOM 1165 CD2 TYR A 75 1.251 -4.712 -4.546 1.00 0.00 C ATOM 1166 CE1 TYR A 75 3.746 -5.613 -5.297 1.00 0.00 C ATOM 1167 CE2 TYR A 75 1.485 -6.068 -4.662 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.735 -6.515 -5.039 1.00 0.00 C ATOM 1169 OH TYR A 75 2.971 -7.866 -5.159 1.00 0.00 O ATOM 0 H TYR A 75 2.418 0.100 -5.094 1.00 0.00 H new ATOM 0 HA TYR A 75 2.278 -2.032 -6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.882 -1.822 -4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.183 -2.140 -3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.300 -3.558 -5.381 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.271 -4.365 -4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.724 -5.965 -5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.694 -6.775 -4.459 1.00 0.00 H new ATOM 0 HH TYR A 75 3.890 -8.063 -4.882 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.722 -1.038 -5.932 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.148 -1.202 -6.215 1.00 0.00 C ATOM 1181 C ILE A 76 -2.397 -1.362 -7.715 1.00 0.00 C ATOM 1182 O ILE A 76 -3.083 -2.288 -8.139 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.973 -0.003 -5.698 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.810 0.152 -4.183 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.441 -0.163 -6.072 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.603 -0.846 -3.365 1.00 0.00 C ATOM 0 H ILE A 76 -0.495 -0.205 -5.390 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.468 -2.104 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.598 0.903 -6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.754 0.053 -3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.113 1.160 -3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.007 0.691 -5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.536 -0.216 -7.157 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.832 -1.079 -5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.430 -0.666 -2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.665 -0.734 -3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.285 -1.858 -3.617 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.828 -0.456 -8.512 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.984 -0.507 -9.965 1.00 0.00 C ATOM 1200 C LYS A 77 -1.500 -1.849 -10.521 1.00 0.00 C ATOM 1201 O LYS A 77 -2.058 -2.366 -11.488 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.217 0.641 -10.623 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.845 1.128 -11.919 1.00 0.00 C ATOM 1204 CD LYS A 77 -0.787 1.470 -12.959 1.00 0.00 C ATOM 1205 CE LYS A 77 -0.620 2.975 -13.117 1.00 0.00 C ATOM 1206 NZ LYS A 77 -0.064 3.613 -11.889 1.00 0.00 N ATOM 0 H LYS A 77 -1.257 0.319 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.044 -0.403 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.156 1.474 -9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.196 0.317 -10.823 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.509 0.359 -12.314 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.458 2.007 -11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.165 1.026 -12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.064 1.032 -13.918 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.040 3.179 -13.961 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.585 3.423 -13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.032 4.637 -12.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.705 3.442 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.869 3.205 -11.678 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.461 -2.410 -9.896 1.00 0.00 N ATOM 1221 CA ALA A 78 0.094 -3.695 -10.318 1.00 0.00 C ATOM 1222 C ALA A 78 -0.675 -4.868 -9.701 1.00 0.00 C ATOM 1223 O ALA A 78 -0.637 -5.981 -10.223 1.00 0.00 O ATOM 1224 CB ALA A 78 1.568 -3.780 -9.953 1.00 0.00 C ATOM 0 H ALA A 78 0.012 -1.992 -9.095 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.008 -3.762 -11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.967 -4.742 -10.273 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.113 -2.977 -10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.682 -3.681 -8.873 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.367 -4.616 -8.590 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.136 -5.659 -7.913 1.00 0.00 C ATOM 1232 C CYS A 79 -3.560 -5.744 -8.464 1.00 0.00 C ATOM 1233 O CYS A 79 -4.154 -6.822 -8.503 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.175 -5.396 -6.408 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.213 -6.895 -5.394 1.00 0.00 S ATOM 0 H CYS A 79 -1.411 -3.701 -8.141 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.641 -6.612 -8.098 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.302 -4.805 -6.131 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.054 -4.793 -6.178 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.132 -7.941 -6.162 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.106 -4.603 -8.883 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.461 -4.555 -9.424 1.00 0.00 C ATOM 1243 C CYS A 80 -5.473 -4.835 -10.928 1.00 0.00 C ATOM 1244 O CYS A 80 -6.429 -5.414 -11.448 1.00 0.00 O ATOM 1245 CB CYS A 80 -6.098 -3.192 -9.139 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.876 -3.125 -9.467 1.00 0.00 S ATOM 0 H CYS A 80 -3.630 -3.701 -8.858 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.044 -5.334 -8.932 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.922 -2.932 -8.095 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.599 -2.436 -9.745 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.323 -1.935 -9.195 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.413 -4.422 -11.625 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.318 -4.630 -13.071 1.00 0.00 C ATOM 1254 C GLN A 81 -3.483 -5.866 -13.403 1.00 0.00 C ATOM 1255 O GLN A 81 -3.875 -6.678 -14.242 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.720 -3.397 -13.752 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.445 -2.103 -13.416 1.00 0.00 C ATOM 1258 CD GLN A 81 -4.711 -1.245 -14.639 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -5.660 -1.484 -15.384 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -3.870 -0.238 -14.851 1.00 0.00 N ATOM 0 H GLN A 81 -3.611 -3.944 -11.214 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.328 -4.791 -13.448 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.674 -3.303 -13.461 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.739 -3.544 -14.832 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.392 -2.338 -12.929 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.851 -1.534 -12.701 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.096 -0.076 -14.207 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.999 0.373 -15.658 1.00 0.00 H new ATOM 1269 N SER A 82 -2.333 -6.008 -12.741 1.00 0.00 N ATOM 1270 CA SER A 82 -1.452 -7.154 -12.972 1.00 0.00 C ATOM 1271 C SER A 82 -1.792 -8.325 -12.043 1.00 0.00 C ATOM 1272 O SER A 82 -1.254 -9.422 -12.207 1.00 0.00 O ATOM 1273 CB SER A 82 0.014 -6.751 -12.780 1.00 0.00 C ATOM 1274 OG SER A 82 0.718 -6.782 -14.010 1.00 0.00 O ATOM 0 H SER A 82 -1.991 -5.347 -12.044 1.00 0.00 H new ATOM 0 HA SER A 82 -1.606 -7.480 -14.001 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.066 -5.749 -12.353 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.490 -7.426 -12.068 1.00 0.00 H new ATOM 0 HG SER A 82 1.203 -5.939 -14.131 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.679 -8.090 -11.068 1.00 0.00 N ATOM 1281 CA ASN A 83 -3.083 -9.124 -10.115 1.00 0.00 C ATOM 1282 C ASN A 83 -1.926 -9.482 -9.176 1.00 0.00 C ATOM 1283 O ASN A 83 -1.905 -9.056 -8.020 1.00 0.00 O ATOM 1284 CB ASN A 83 -3.590 -10.374 -10.848 1.00 0.00 C ATOM 1285 CG ASN A 83 -4.925 -10.863 -10.313 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -5.200 -10.771 -9.116 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -5.764 -11.394 -11.198 1.00 0.00 N ATOM 0 H ASN A 83 -3.131 -7.187 -10.921 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.900 -8.726 -9.513 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.688 -10.153 -11.911 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.852 -11.170 -10.754 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.673 -11.743 -10.893 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.499 -11.452 -12.181 1.00 0.00 H new ATOM 1294 N SER A 84 -0.966 -10.257 -9.678 1.00 0.00 N ATOM 1295 CA SER A 84 0.193 -10.663 -8.885 1.00 0.00 C ATOM 1296 C SER A 84 1.278 -11.275 -9.776 1.00 0.00 C ATOM 1297 O SER A 84 1.976 -12.207 -9.373 1.00 0.00 O ATOM 1298 CB SER A 84 -0.227 -11.659 -7.801 1.00 0.00 C ATOM 1299 OG SER A 84 0.633 -11.589 -6.677 1.00 0.00 O ATOM 0 H SER A 84 -0.968 -10.617 -10.632 1.00 0.00 H new ATOM 0 HA SER A 84 0.606 -9.775 -8.407 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.251 -11.452 -7.491 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.215 -12.670 -8.208 1.00 0.00 H new ATOM 0 HG SER A 84 0.340 -12.235 -6.000 1.00 0.00 H new ATOM 1305 N LEU A 85 1.412 -10.741 -10.990 1.00 0.00 N ATOM 1306 CA LEU A 85 2.408 -11.226 -11.940 1.00 0.00 C ATOM 1307 C LEU A 85 3.737 -10.491 -11.766 1.00 0.00 C ATOM 1308 O LEU A 85 4.806 -11.081 -11.936 1.00 0.00 O ATOM 1309 CB LEU A 85 1.894 -11.059 -13.374 1.00 0.00 C ATOM 1310 CG LEU A 85 2.858 -11.516 -14.472 1.00 0.00 C ATOM 1311 CD1 LEU A 85 3.039 -13.028 -14.430 1.00 0.00 C ATOM 1312 CD2 LEU A 85 2.356 -11.070 -15.838 1.00 0.00 C ATOM 0 H LEU A 85 0.841 -9.971 -11.338 1.00 0.00 H new ATOM 0 HA LEU A 85 2.578 -12.285 -11.744 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.963 -11.616 -13.476 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.656 -10.008 -13.537 1.00 0.00 H new ATOM 0 HG LEU A 85 3.829 -11.053 -14.296 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.727 -13.334 -15.218 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.444 -13.319 -13.461 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.075 -13.514 -14.581 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.052 -11.403 -16.608 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.374 -11.505 -16.025 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.282 -9.983 -15.861 1.00 0.00 H new ATOM 1324 N LEU A 86 3.664 -9.203 -11.430 1.00 0.00 N ATOM 1325 CA LEU A 86 4.861 -8.390 -11.236 1.00 0.00 C ATOM 1326 C LEU A 86 5.154 -8.191 -9.747 1.00 0.00 C ATOM 1327 O LEU A 86 4.934 -7.110 -9.197 1.00 0.00 O ATOM 1328 CB LEU A 86 4.702 -7.032 -11.933 1.00 0.00 C ATOM 1329 CG LEU A 86 4.910 -7.045 -13.451 1.00 0.00 C ATOM 1330 CD1 LEU A 86 6.294 -7.576 -13.799 1.00 0.00 C ATOM 1331 CD2 LEU A 86 3.830 -7.875 -14.133 1.00 0.00 C ATOM 0 H LEU A 86 2.787 -8.702 -11.287 1.00 0.00 H new ATOM 0 HA LEU A 86 5.705 -8.918 -11.681 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.703 -6.650 -11.723 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.411 -6.331 -11.492 1.00 0.00 H new ATOM 0 HG LEU A 86 4.836 -6.020 -13.815 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.422 -7.577 -14.881 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.053 -6.939 -13.345 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.400 -8.593 -13.420 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.995 -7.872 -15.210 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.870 -8.899 -13.763 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.851 -7.448 -13.915 1.00 0.00 H new ATOM 1343 N ASN A 87 5.660 -9.244 -9.106 1.00 0.00 N ATOM 1344 CA ASN A 87 5.996 -9.192 -7.683 1.00 0.00 C ATOM 1345 C ASN A 87 7.308 -8.447 -7.460 1.00 0.00 C ATOM 1346 O ASN A 87 7.508 -7.837 -6.410 1.00 0.00 O ATOM 1347 CB ASN A 87 6.083 -10.606 -7.098 1.00 0.00 C ATOM 1348 CG ASN A 87 5.610 -10.667 -5.658 1.00 0.00 C ATOM 1349 OD1 ASN A 87 6.461 -10.226 -4.738 1.00 0.00 O flip ATOM 1350 ND2 ASN A 87 4.496 -11.107 -5.377 1.00 0.00 N flip ATOM 0 H ASN A 87 5.846 -10.144 -9.549 1.00 0.00 H new ATOM 0 HA ASN A 87 5.202 -8.650 -7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.482 -11.284 -7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.114 -10.957 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.876 -11.435 -6.117 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.193 -11.144 -4.404 1.00 0.00 H new ATOM 1357 N MET A 88 8.190 -8.480 -8.461 1.00 0.00 N ATOM 1358 CA MET A 88 9.469 -7.780 -8.373 1.00 0.00 C ATOM 1359 C MET A 88 9.245 -6.279 -8.171 1.00 0.00 C ATOM 1360 O MET A 88 10.129 -5.571 -7.688 1.00 0.00 O ATOM 1361 CB MET A 88 10.300 -8.017 -9.638 1.00 0.00 C ATOM 1362 CG MET A 88 11.286 -9.168 -9.512 1.00 0.00 C ATOM 1363 SD MET A 88 12.934 -8.617 -9.027 1.00 0.00 S ATOM 1364 CE MET A 88 13.434 -9.955 -7.944 1.00 0.00 C ATOM 0 H MET A 88 8.042 -8.982 -9.337 1.00 0.00 H new ATOM 0 HA MET A 88 10.014 -8.174 -7.515 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.627 -8.215 -10.473 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.847 -7.106 -9.879 1.00 0.00 H new ATOM 0 HG2 MET A 88 10.914 -9.882 -8.777 1.00 0.00 H new ATOM 0 HG3 MET A 88 11.348 -9.695 -10.464 1.00 0.00 H new ATOM 0 HE1 MET A 88 14.436 -9.759 -7.563 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.736 -10.028 -7.110 1.00 0.00 H new ATOM 0 HE3 MET A 88 13.434 -10.892 -8.500 1.00 0.00 H new ATOM 1374 N GLU A 89 8.051 -5.801 -8.543 1.00 0.00 N ATOM 1375 CA GLU A 89 7.706 -4.387 -8.402 1.00 0.00 C ATOM 1376 C GLU A 89 7.305 -4.027 -6.977 1.00 0.00 C ATOM 1377 O GLU A 89 6.993 -2.866 -6.703 1.00 0.00 O ATOM 1378 CB GLU A 89 6.592 -4.010 -9.379 1.00 0.00 C ATOM 1379 CG GLU A 89 7.063 -3.879 -10.820 1.00 0.00 C ATOM 1380 CD GLU A 89 7.197 -2.435 -11.263 1.00 0.00 C ATOM 1381 OE1 GLU A 89 7.934 -1.674 -10.600 1.00 0.00 O ATOM 1382 OE2 GLU A 89 6.565 -2.064 -12.275 1.00 0.00 O ATOM 0 H GLU A 89 7.310 -6.376 -8.944 1.00 0.00 H new ATOM 0 HA GLU A 89 8.602 -3.813 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.806 -4.764 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.148 -3.066 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.025 -4.379 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.360 -4.392 -11.476 1.00 0.00 H new ATOM 1389 N ASN A 90 7.356 -4.995 -6.058 1.00 0.00 N ATOM 1390 CA ASN A 90 7.042 -4.717 -4.664 1.00 0.00 C ATOM 1391 C ASN A 90 7.878 -3.530 -4.196 1.00 0.00 C ATOM 1392 O ASN A 90 7.438 -2.734 -3.364 1.00 0.00 O ATOM 1393 CB ASN A 90 7.341 -5.936 -3.784 1.00 0.00 C ATOM 1394 CG ASN A 90 6.093 -6.718 -3.429 1.00 0.00 C ATOM 1395 OD1 ASN A 90 5.678 -7.612 -4.164 1.00 0.00 O ATOM 1396 ND2 ASN A 90 5.486 -6.388 -2.295 1.00 0.00 N ATOM 0 H ASN A 90 7.609 -5.963 -6.255 1.00 0.00 H new ATOM 0 HA ASN A 90 5.980 -4.487 -4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.041 -6.591 -4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.832 -5.607 -2.868 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.642 -6.883 -2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.863 -5.640 -1.714 1.00 0.00 H new ATOM 1403 N TYR A 91 9.093 -3.425 -4.761 1.00 0.00 N ATOM 1404 CA TYR A 91 10.022 -2.355 -4.438 1.00 0.00 C ATOM 1405 C TYR A 91 10.081 -2.121 -2.934 1.00 0.00 C ATOM 1406 O TYR A 91 10.201 -0.989 -2.458 1.00 0.00 O ATOM 1407 CB TYR A 91 9.644 -1.081 -5.196 1.00 0.00 C ATOM 1408 CG TYR A 91 10.780 -0.093 -5.309 1.00 0.00 C ATOM 1409 CD1 TYR A 91 11.860 -0.350 -6.141 1.00 0.00 C ATOM 1410 CD2 TYR A 91 10.780 1.089 -4.580 1.00 0.00 C ATOM 1411 CE1 TYR A 91 12.908 0.540 -6.245 1.00 0.00 C ATOM 1412 CE2 TYR A 91 11.824 1.986 -4.677 1.00 0.00 C ATOM 1413 CZ TYR A 91 12.887 1.708 -5.511 1.00 0.00 C ATOM 1414 OH TYR A 91 13.933 2.598 -5.610 1.00 0.00 O ATOM 0 H TYR A 91 9.448 -4.085 -5.453 1.00 0.00 H new ATOM 0 HA TYR A 91 11.022 -2.650 -4.756 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.304 -1.349 -6.196 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.804 -0.602 -4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.880 -1.263 -6.717 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.949 1.310 -3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 91 13.741 0.324 -6.898 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.809 2.901 -4.103 1.00 0.00 H new ATOM 0 HH TYR A 91 13.762 3.369 -5.030 1.00 0.00 H new ATOM 1424 N LEU A 92 9.999 -3.222 -2.198 1.00 0.00 N ATOM 1425 CA LEU A 92 10.046 -3.185 -0.743 1.00 0.00 C ATOM 1426 C LEU A 92 11.427 -2.750 -0.253 1.00 0.00 C ATOM 1427 O LEU A 92 12.446 -3.088 -0.858 1.00 0.00 O ATOM 1428 CB LEU A 92 9.691 -4.555 -0.157 1.00 0.00 C ATOM 1429 CG LEU A 92 10.481 -5.741 -0.726 1.00 0.00 C ATOM 1430 CD1 LEU A 92 11.593 -6.153 0.230 1.00 0.00 C ATOM 1431 CD2 LEU A 92 9.556 -6.918 -1.013 1.00 0.00 C ATOM 0 H LEU A 92 9.899 -4.159 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 92 9.311 -2.455 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.847 -4.521 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.629 -4.737 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 92 10.935 -5.428 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.142 -6.995 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.274 -5.315 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.161 -6.444 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.137 -7.748 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.068 -7.231 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.800 -6.618 -1.739 1.00 0.00 H new ATOM 1443 N VAL A 93 11.450 -1.994 0.843 1.00 0.00 N ATOM 1444 CA VAL A 93 12.697 -1.504 1.418 1.00 0.00 C ATOM 1445 C VAL A 93 12.872 -1.994 2.857 1.00 0.00 C ATOM 1446 O VAL A 93 12.230 -1.486 3.777 1.00 0.00 O ATOM 1447 CB VAL A 93 12.754 0.041 1.397 1.00 0.00 C ATOM 1448 CG1 VAL A 93 14.138 0.536 1.785 1.00 0.00 C ATOM 1449 CG2 VAL A 93 12.359 0.576 0.026 1.00 0.00 C ATOM 0 H VAL A 93 10.613 -1.707 1.351 1.00 0.00 H new ATOM 0 HA VAL A 93 13.507 -1.899 0.805 1.00 0.00 H new ATOM 0 HB VAL A 93 12.040 0.416 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.154 1.626 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.380 0.190 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.874 0.148 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.406 1.665 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.045 0.188 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.343 0.258 -0.210 1.00 0.00 H new ATOM 1459 N PRO A 94 13.748 -2.997 3.066 1.00 0.00 N ATOM 1460 CA PRO A 94 14.010 -3.558 4.393 1.00 0.00 C ATOM 1461 C PRO A 94 14.967 -2.696 5.212 1.00 0.00 C ATOM 1462 O PRO A 94 16.104 -2.454 4.802 1.00 0.00 O ATOM 1463 CB PRO A 94 14.647 -4.908 4.074 1.00 0.00 C ATOM 1464 CG PRO A 94 15.345 -4.701 2.774 1.00 0.00 C ATOM 1465 CD PRO A 94 14.550 -3.664 2.020 1.00 0.00 C ATOM 0 HA PRO A 94 13.106 -3.624 4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.345 -5.210 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.894 -5.693 3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.369 -4.364 2.933 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.400 -5.633 2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.202 -2.958 1.506 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.915 -4.122 1.262 1.00 0.00 H new