USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 649 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 62 CYS SG : rot -108:sc= 1.84 USER MOD Set 1.2: A 64 TYR OH : rot -178:sc= -0.74 USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= -0.162 USER MOD Set 2.2: A 31 GLN : amide:sc= 0.392 K(o=0.23,f=-5.5!) USER MOD Single : A 14 SER OG : rot 79:sc= 0.315 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00364 K(o=-0.0036,f=-0.96) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -60:sc= 1.27 USER MOD Single : A 44 SER OG : rot -110:sc= 1.01 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 105:sc= 1.17 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.1) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 69 THR OG1 : rot -15:sc= 1.13 USER MOD Single : A 72 SER OG : rot 180:sc= 0.158 USER MOD Single : A 74 MET CE :methyl -165:sc= -0.448 (180deg=-0.862) USER MOD Single : A 76 ASN : amide:sc= -0.0463 K(o=-0.046,f=-1.3!) USER MOD Single : A 78 ASN : amide:sc= 0.612 K(o=0.61,f=-4.4!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.06 K(o=1.1,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 9 10.683 3.838 -11.106 1.00 0.00 N ATOM 121 CA PRO A 9 10.092 5.154 -11.317 1.00 0.00 C ATOM 122 C PRO A 9 8.593 5.051 -11.569 1.00 0.00 C ATOM 123 O PRO A 9 7.807 5.819 -11.015 1.00 0.00 O ATOM 124 CB PRO A 9 10.839 5.674 -12.549 1.00 0.00 C ATOM 125 CG PRO A 9 12.174 5.016 -12.472 1.00 0.00 C ATOM 126 CD PRO A 9 11.876 3.615 -12.009 1.00 0.00 C ATOM 0 HA PRO A 9 10.187 5.814 -10.454 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.319 5.412 -13.470 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.929 6.760 -12.531 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.673 5.016 -13.441 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.832 5.533 -11.774 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.642 2.950 -12.840 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.717 3.173 -11.475 1.00 0.00 H new ATOM 134 N ALA A 10 8.204 4.099 -12.410 1.00 0.00 N ATOM 135 CA ALA A 10 6.802 3.915 -12.763 1.00 0.00 C ATOM 136 C ALA A 10 5.989 3.441 -11.565 1.00 0.00 C ATOM 137 O ALA A 10 4.852 3.869 -11.366 1.00 0.00 O ATOM 138 CB ALA A 10 6.670 2.929 -13.915 1.00 0.00 C ATOM 0 H ALA A 10 8.841 3.442 -12.860 1.00 0.00 H new ATOM 0 HA ALA A 10 6.406 4.880 -13.078 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.617 2.802 -14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.207 3.310 -14.783 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.091 1.967 -13.621 1.00 0.00 H new ATOM 144 N VAL A 11 6.579 2.556 -10.769 1.00 0.00 N ATOM 145 CA VAL A 11 5.932 2.061 -9.560 1.00 0.00 C ATOM 146 C VAL A 11 5.510 3.209 -8.652 1.00 0.00 C ATOM 147 O VAL A 11 4.361 3.278 -8.216 1.00 0.00 O ATOM 148 CB VAL A 11 6.881 1.123 -8.791 1.00 0.00 C ATOM 149 CG1 VAL A 11 6.313 0.801 -7.417 1.00 0.00 C ATOM 150 CG2 VAL A 11 7.112 -0.150 -9.591 1.00 0.00 C ATOM 0 H VAL A 11 7.506 2.166 -10.940 1.00 0.00 H new ATOM 0 HA VAL A 11 5.041 1.510 -9.863 1.00 0.00 H new ATOM 0 HB VAL A 11 7.838 1.625 -8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.996 0.137 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.190 1.723 -6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.345 0.312 -7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.784 -0.809 -9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.160 -0.656 -9.753 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.557 0.101 -10.554 1.00 0.00 H new ATOM 160 N ASP A 12 6.447 4.107 -8.369 1.00 0.00 N ATOM 161 CA ASP A 12 6.176 5.250 -7.504 1.00 0.00 C ATOM 162 C ASP A 12 5.054 6.112 -8.066 1.00 0.00 C ATOM 163 O ASP A 12 4.178 6.566 -7.330 1.00 0.00 O ATOM 164 CB ASP A 12 7.438 6.097 -7.324 1.00 0.00 C ATOM 165 CG ASP A 12 8.475 5.434 -6.428 1.00 0.00 C ATOM 166 OD1 ASP A 12 8.124 4.514 -5.727 1.00 0.00 O ATOM 167 OD2 ASP A 12 9.607 5.854 -6.451 1.00 0.00 O ATOM 0 H ASP A 12 7.402 4.066 -8.726 1.00 0.00 H new ATOM 0 HA ASP A 12 5.862 4.864 -6.534 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.881 6.292 -8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.164 7.063 -6.900 1.00 0.00 H new ATOM 172 N ARG A 13 5.085 6.335 -9.376 1.00 0.00 N ATOM 173 CA ARG A 13 4.071 7.146 -10.039 1.00 0.00 C ATOM 174 C ARG A 13 2.715 6.450 -10.027 1.00 0.00 C ATOM 175 O ARG A 13 1.679 7.092 -9.855 1.00 0.00 O ATOM 176 CB ARG A 13 4.475 7.437 -11.477 1.00 0.00 C ATOM 177 CG ARG A 13 5.676 8.356 -11.630 1.00 0.00 C ATOM 178 CD ARG A 13 5.896 8.742 -13.047 1.00 0.00 C ATOM 179 NE ARG A 13 4.866 9.649 -13.528 1.00 0.00 N ATOM 180 CZ ARG A 13 4.676 9.973 -14.822 1.00 0.00 C ATOM 181 NH1 ARG A 13 5.451 9.458 -15.750 1.00 0.00 N ATOM 182 NH2 ARG A 13 3.709 10.809 -15.158 1.00 0.00 N ATOM 0 H ARG A 13 5.802 5.965 -10.000 1.00 0.00 H new ATOM 0 HA ARG A 13 3.990 8.083 -9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.692 6.493 -11.976 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.626 7.883 -11.995 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.527 9.252 -11.028 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.566 7.858 -11.246 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.873 9.216 -13.147 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.911 7.847 -13.669 1.00 0.00 H new ATOM 0 HE ARG A 13 4.244 10.069 -12.838 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.197 8.812 -15.491 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.306 9.704 -16.729 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.107 11.209 -14.438 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.565 11.055 -16.137 1.00 0.00 H new ATOM 196 N SER A 14 2.730 5.134 -10.211 1.00 0.00 N ATOM 197 CA SER A 14 1.500 4.352 -10.244 1.00 0.00 C ATOM 198 C SER A 14 0.888 4.229 -8.855 1.00 0.00 C ATOM 199 O SER A 14 -0.329 4.113 -8.710 1.00 0.00 O ATOM 200 CB SER A 14 1.774 2.972 -10.810 1.00 0.00 C ATOM 201 OG SER A 14 2.106 3.044 -12.170 1.00 0.00 O ATOM 0 H SER A 14 3.581 4.587 -10.340 1.00 0.00 H new ATOM 0 HA SER A 14 0.788 4.871 -10.886 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.588 2.503 -10.257 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.895 2.340 -10.679 1.00 0.00 H new ATOM 0 HG SER A 14 3.042 3.320 -12.264 1.00 0.00 H new ATOM 207 N LEU A 15 1.739 4.254 -7.835 1.00 0.00 N ATOM 208 CA LEU A 15 1.279 4.202 -6.452 1.00 0.00 C ATOM 209 C LEU A 15 0.628 5.515 -6.039 1.00 0.00 C ATOM 210 O LEU A 15 -0.378 5.524 -5.330 1.00 0.00 O ATOM 211 CB LEU A 15 2.453 3.889 -5.515 1.00 0.00 C ATOM 212 CG LEU A 15 2.982 2.450 -5.569 1.00 0.00 C ATOM 213 CD1 LEU A 15 4.261 2.347 -4.749 1.00 0.00 C ATOM 214 CD2 LEU A 15 1.918 1.498 -5.044 1.00 0.00 C ATOM 0 H LEU A 15 2.752 4.310 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 15 0.534 3.410 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.273 4.567 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.145 4.105 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 15 3.211 2.176 -6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.637 1.324 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.011 3.025 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.052 2.618 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.294 0.476 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.675 1.757 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.022 1.579 -5.659 1.00 0.00 H new ATOM 226 N ARG A 16 1.208 6.624 -6.486 1.00 0.00 N ATOM 227 CA ARG A 16 0.704 7.947 -6.136 1.00 0.00 C ATOM 228 C ARG A 16 -0.375 8.401 -7.110 1.00 0.00 C ATOM 229 O ARG A 16 -1.018 9.430 -6.903 1.00 0.00 O ATOM 230 CB ARG A 16 1.835 8.965 -6.125 1.00 0.00 C ATOM 231 CG ARG A 16 2.369 9.341 -7.498 1.00 0.00 C ATOM 232 CD ARG A 16 3.607 10.156 -7.401 1.00 0.00 C ATOM 233 NE ARG A 16 4.034 10.650 -8.701 1.00 0.00 N ATOM 234 CZ ARG A 16 5.141 11.388 -8.912 1.00 0.00 C ATOM 235 NH1 ARG A 16 5.920 11.709 -7.903 1.00 0.00 N ATOM 236 NH2 ARG A 16 5.444 11.790 -10.134 1.00 0.00 N ATOM 0 H ARG A 16 2.028 6.633 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 16 0.269 7.878 -5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.486 9.869 -5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.656 8.568 -5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.573 8.436 -8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.608 9.898 -8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.436 10.998 -6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.403 9.556 -6.961 1.00 0.00 H new ATOM 0 HE ARG A 16 3.455 10.422 -9.509 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.686 11.399 -6.960 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.758 12.268 -8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.840 11.541 -10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.282 12.349 -10.294 1.00 0.00 H new ATOM 250 N SER A 17 -0.569 7.628 -8.173 1.00 0.00 N ATOM 251 CA SER A 17 -1.690 7.841 -9.081 1.00 0.00 C ATOM 252 C SER A 17 -2.841 6.894 -8.768 1.00 0.00 C ATOM 253 O SER A 17 -2.624 5.751 -8.364 1.00 0.00 O ATOM 254 CB SER A 17 -1.242 7.649 -10.517 1.00 0.00 C ATOM 255 OG SER A 17 -2.325 7.757 -11.399 1.00 0.00 O ATOM 0 H SER A 17 0.036 6.847 -8.427 1.00 0.00 H new ATOM 0 HA SER A 17 -2.043 8.863 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.487 8.394 -10.769 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.774 6.671 -10.628 1.00 0.00 H new ATOM 0 HG SER A 17 -2.011 7.631 -12.319 1.00 0.00 H new ATOM 261 N VAL A 18 -4.065 7.375 -8.957 1.00 0.00 N ATOM 262 CA VAL A 18 -5.251 6.553 -8.754 1.00 0.00 C ATOM 263 C VAL A 18 -6.048 6.407 -10.044 1.00 0.00 C ATOM 264 O VAL A 18 -6.013 7.283 -10.908 1.00 0.00 O ATOM 265 CB VAL A 18 -6.149 7.170 -7.665 1.00 0.00 C ATOM 266 CG1 VAL A 18 -5.408 7.237 -6.338 1.00 0.00 C ATOM 267 CG2 VAL A 18 -6.610 8.554 -8.097 1.00 0.00 C ATOM 0 H VAL A 18 -4.261 8.332 -9.251 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.919 5.565 -8.436 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.026 6.537 -7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.057 7.676 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.120 6.232 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.515 7.852 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.245 8.984 -7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.742 9.195 -8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.174 8.476 -9.026 1.00 0.00 H new ATOM 277 N PHE A 19 -6.766 5.296 -10.168 1.00 0.00 N ATOM 278 CA PHE A 19 -7.580 5.038 -11.350 1.00 0.00 C ATOM 279 C PHE A 19 -9.041 5.389 -11.100 1.00 0.00 C ATOM 280 O PHE A 19 -9.652 4.900 -10.149 1.00 0.00 O ATOM 281 CB PHE A 19 -7.466 3.571 -11.767 1.00 0.00 C ATOM 282 CG PHE A 19 -8.243 3.231 -13.007 1.00 0.00 C ATOM 283 CD1 PHE A 19 -8.059 3.953 -14.177 1.00 0.00 C ATOM 284 CD2 PHE A 19 -9.160 2.191 -13.006 1.00 0.00 C ATOM 285 CE1 PHE A 19 -8.773 3.641 -15.319 1.00 0.00 C ATOM 286 CE2 PHE A 19 -9.874 1.876 -14.146 1.00 0.00 C ATOM 287 CZ PHE A 19 -9.681 2.603 -15.303 1.00 0.00 C ATOM 0 H PHE A 19 -6.801 4.559 -9.464 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.206 5.671 -12.155 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.416 3.330 -11.930 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.814 2.942 -10.948 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.350 4.768 -14.196 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.318 1.620 -12.103 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.620 4.210 -16.224 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.583 1.061 -14.132 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.240 2.360 -16.194 1.00 0.00 H new ATOM 297 N VAL A 20 -9.596 6.237 -11.958 1.00 0.00 N ATOM 298 CA VAL A 20 -10.950 6.744 -11.767 1.00 0.00 C ATOM 299 C VAL A 20 -11.878 6.267 -12.876 1.00 0.00 C ATOM 300 O VAL A 20 -11.520 6.296 -14.054 1.00 0.00 O ATOM 301 CB VAL A 20 -10.943 8.284 -11.734 1.00 0.00 C ATOM 302 CG1 VAL A 20 -12.340 8.816 -11.448 1.00 0.00 C ATOM 303 CG2 VAL A 20 -9.955 8.775 -10.687 1.00 0.00 C ATOM 0 H VAL A 20 -9.129 6.588 -12.794 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.317 6.359 -10.816 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.632 8.658 -12.709 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.317 9.906 -11.428 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -13.024 8.481 -12.228 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.681 8.442 -10.482 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.955 9.865 -10.669 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.245 8.396 -9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.956 8.416 -10.933 1.00 0.00 H new ATOM 313 N GLY A 21 -13.073 5.829 -12.493 1.00 0.00 N ATOM 314 CA GLY A 21 -14.043 5.314 -13.452 1.00 0.00 C ATOM 315 C GLY A 21 -15.418 5.931 -13.229 1.00 0.00 C ATOM 316 O GLY A 21 -15.599 6.764 -12.341 1.00 0.00 O ATOM 0 H GLY A 21 -13.393 5.821 -11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.705 5.528 -14.466 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.109 4.230 -13.361 1.00 0.00 H new ATOM 320 N ASN A 22 -16.385 5.518 -14.042 1.00 0.00 N ATOM 321 CA ASN A 22 -17.735 6.065 -13.966 1.00 0.00 C ATOM 322 C ASN A 22 -17.749 7.548 -14.313 1.00 0.00 C ATOM 323 O ASN A 22 -18.603 8.298 -13.840 1.00 0.00 O ATOM 324 CB ASN A 22 -18.328 5.832 -12.589 1.00 0.00 C ATOM 325 CG ASN A 22 -18.532 4.374 -12.286 1.00 0.00 C ATOM 326 OD1 ASN A 22 -18.781 3.568 -13.190 1.00 0.00 O ATOM 327 ND2 ASN A 22 -18.430 4.019 -11.030 1.00 0.00 N ATOM 0 H ASN A 22 -16.259 4.806 -14.761 1.00 0.00 H new ATOM 0 HA ASN A 22 -18.350 5.544 -14.700 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.671 6.267 -11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -19.284 6.351 -12.516 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.557 3.043 -10.764 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.223 4.719 -10.317 1.00 0.00 H new ATOM 334 N ILE A 23 -16.797 7.966 -15.141 1.00 0.00 N ATOM 335 CA ILE A 23 -16.673 9.369 -15.519 1.00 0.00 C ATOM 336 C ILE A 23 -17.590 9.707 -16.687 1.00 0.00 C ATOM 337 O ILE A 23 -17.609 9.005 -17.698 1.00 0.00 O ATOM 338 CB ILE A 23 -15.219 9.710 -15.891 1.00 0.00 C ATOM 339 CG1 ILE A 23 -14.301 9.528 -14.680 1.00 0.00 C ATOM 340 CG2 ILE A 23 -15.126 11.132 -16.424 1.00 0.00 C ATOM 341 CD1 ILE A 23 -12.828 9.610 -15.012 1.00 0.00 C ATOM 0 H ILE A 23 -16.100 7.353 -15.563 1.00 0.00 H new ATOM 0 HA ILE A 23 -16.969 9.966 -14.656 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.893 9.027 -16.676 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.539 10.290 -13.938 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.507 8.561 -14.222 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -14.091 11.357 -16.682 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -15.751 11.229 -17.312 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -15.469 11.830 -15.660 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.242 9.472 -14.103 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.573 8.831 -15.730 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.606 10.587 -15.442 1.00 0.00 H new ATOM 353 N PRO A 24 -18.350 10.787 -16.543 1.00 0.00 N ATOM 354 CA PRO A 24 -19.217 11.263 -17.614 1.00 0.00 C ATOM 355 C PRO A 24 -18.406 11.885 -18.743 1.00 0.00 C ATOM 356 O PRO A 24 -17.419 12.580 -18.502 1.00 0.00 O ATOM 357 CB PRO A 24 -20.095 12.303 -16.911 1.00 0.00 C ATOM 358 CG PRO A 24 -19.229 12.837 -15.822 1.00 0.00 C ATOM 359 CD PRO A 24 -18.455 11.640 -15.338 1.00 0.00 C ATOM 0 HA PRO A 24 -19.795 10.469 -18.086 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.404 13.092 -17.597 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -21.004 11.853 -16.512 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.564 13.618 -16.190 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.823 13.276 -15.021 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.473 11.923 -14.960 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.973 11.128 -14.527 1.00 0.00 H new ATOM 367 N TYR A 25 -18.828 11.632 -19.978 1.00 0.00 N ATOM 368 CA TYR A 25 -18.100 12.105 -21.149 1.00 0.00 C ATOM 369 C TYR A 25 -18.059 13.627 -21.194 1.00 0.00 C ATOM 370 O TYR A 25 -17.187 14.216 -21.833 1.00 0.00 O ATOM 371 CB TYR A 25 -18.730 11.553 -22.430 1.00 0.00 C ATOM 372 CG TYR A 25 -20.059 12.186 -22.778 1.00 0.00 C ATOM 373 CD1 TYR A 25 -20.102 13.310 -23.589 1.00 0.00 C ATOM 374 CD2 TYR A 25 -21.236 11.641 -22.286 1.00 0.00 C ATOM 375 CE1 TYR A 25 -21.316 13.887 -23.907 1.00 0.00 C ATOM 376 CE2 TYR A 25 -22.450 12.218 -22.604 1.00 0.00 C ATOM 377 CZ TYR A 25 -22.492 13.337 -23.410 1.00 0.00 C ATOM 378 OH TYR A 25 -23.702 13.912 -23.727 1.00 0.00 O ATOM 0 H TYR A 25 -19.672 11.101 -20.193 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.075 11.741 -21.076 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -18.038 11.704 -23.259 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -18.868 10.477 -22.322 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -19.186 13.734 -23.972 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -21.203 10.766 -21.654 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -21.351 14.762 -24.539 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -23.366 11.793 -22.222 1.00 0.00 H new ATOM 0 HH TYR A 25 -24.426 13.407 -23.301 1.00 0.00 H new ATOM 388 N GLU A 26 -19.008 14.260 -20.512 1.00 0.00 N ATOM 389 CA GLU A 26 -19.089 15.716 -20.483 1.00 0.00 C ATOM 390 C GLU A 26 -17.917 16.318 -19.719 1.00 0.00 C ATOM 391 O GLU A 26 -17.495 17.441 -19.995 1.00 0.00 O ATOM 392 CB GLU A 26 -20.408 16.164 -19.849 1.00 0.00 C ATOM 393 CG GLU A 26 -21.644 15.843 -20.677 1.00 0.00 C ATOM 394 CD GLU A 26 -22.922 16.274 -20.011 1.00 0.00 C ATOM 395 OE1 GLU A 26 -22.875 16.648 -18.864 1.00 0.00 O ATOM 396 OE2 GLU A 26 -23.946 16.229 -20.652 1.00 0.00 O ATOM 0 H GLU A 26 -19.732 13.787 -19.972 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.047 16.072 -21.512 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -20.507 15.691 -18.872 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -20.369 17.240 -19.679 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -21.563 16.333 -21.647 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.681 14.770 -20.864 1.00 0.00 H new ATOM 403 N ALA A 27 -17.394 15.565 -18.757 1.00 0.00 N ATOM 404 CA ALA A 27 -16.294 16.038 -17.926 1.00 0.00 C ATOM 405 C ALA A 27 -14.979 16.029 -18.695 1.00 0.00 C ATOM 406 O ALA A 27 -14.700 15.103 -19.456 1.00 0.00 O ATOM 407 CB ALA A 27 -16.177 15.190 -16.668 1.00 0.00 C ATOM 0 H ALA A 27 -17.715 14.623 -18.534 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.509 17.067 -17.638 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -15.351 15.556 -16.058 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.104 15.254 -16.099 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -15.992 14.152 -16.945 1.00 0.00 H new ATOM 413 N THR A 28 -14.174 17.066 -18.492 1.00 0.00 N ATOM 414 CA THR A 28 -12.874 17.166 -19.145 1.00 0.00 C ATOM 415 C THR A 28 -11.742 16.881 -18.166 1.00 0.00 C ATOM 416 O THR A 28 -11.964 16.773 -16.960 1.00 0.00 O ATOM 417 CB THR A 28 -12.676 18.558 -19.774 1.00 0.00 C ATOM 418 OG1 THR A 28 -12.546 19.540 -18.738 1.00 0.00 O ATOM 419 CG2 THR A 28 -13.858 18.916 -20.661 1.00 0.00 C ATOM 0 H THR A 28 -14.399 17.850 -17.880 1.00 0.00 H new ATOM 0 HA THR A 28 -12.851 16.415 -19.935 1.00 0.00 H new ATOM 0 HB THR A 28 -11.771 18.539 -20.382 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.419 20.425 -19.140 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.700 19.903 -21.097 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.952 18.178 -21.458 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.771 18.924 -20.065 1.00 0.00 H new ATOM 427 N GLU A 29 -10.528 16.761 -18.693 1.00 0.00 N ATOM 428 CA GLU A 29 -9.359 16.484 -17.867 1.00 0.00 C ATOM 429 C GLU A 29 -9.079 17.631 -16.905 1.00 0.00 C ATOM 430 O GLU A 29 -8.744 17.411 -15.741 1.00 0.00 O ATOM 431 CB GLU A 29 -8.132 16.231 -18.746 1.00 0.00 C ATOM 432 CG GLU A 29 -8.158 14.907 -19.496 1.00 0.00 C ATOM 433 CD GLU A 29 -7.023 14.765 -20.471 1.00 0.00 C ATOM 434 OE1 GLU A 29 -6.385 15.749 -20.759 1.00 0.00 O ATOM 435 OE2 GLU A 29 -6.793 13.671 -20.929 1.00 0.00 O ATOM 0 H GLU A 29 -10.328 16.851 -19.689 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.570 15.589 -17.281 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.044 17.042 -19.469 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.240 16.263 -18.121 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.118 14.088 -18.778 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.103 14.817 -20.031 1.00 0.00 H new ATOM 442 N GLU A 30 -9.218 18.857 -17.398 1.00 0.00 N ATOM 443 CA GLU A 30 -8.952 20.042 -16.592 1.00 0.00 C ATOM 444 C GLU A 30 -9.968 20.183 -15.466 1.00 0.00 C ATOM 445 O GLU A 30 -9.614 20.520 -14.336 1.00 0.00 O ATOM 446 CB GLU A 30 -8.969 21.298 -17.467 1.00 0.00 C ATOM 447 CG GLU A 30 -7.805 21.401 -18.442 1.00 0.00 C ATOM 448 CD GLU A 30 -7.892 22.611 -19.331 1.00 0.00 C ATOM 449 OE1 GLU A 30 -8.902 23.271 -19.306 1.00 0.00 O ATOM 450 OE2 GLU A 30 -6.946 22.875 -20.035 1.00 0.00 O ATOM 0 H GLU A 30 -9.514 19.056 -18.354 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.963 19.927 -16.149 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.902 21.321 -18.030 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.965 22.176 -16.821 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.870 21.434 -17.882 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.775 20.504 -19.060 1.00 0.00 H new ATOM 457 N GLN A 31 -11.232 19.922 -15.781 1.00 0.00 N ATOM 458 CA GLN A 31 -12.303 20.025 -14.797 1.00 0.00 C ATOM 459 C GLN A 31 -12.091 19.048 -13.647 1.00 0.00 C ATOM 460 O GLN A 31 -12.131 19.433 -12.478 1.00 0.00 O ATOM 461 CB GLN A 31 -13.662 19.770 -15.455 1.00 0.00 C ATOM 462 CG GLN A 31 -14.131 20.889 -16.368 1.00 0.00 C ATOM 463 CD GLN A 31 -15.412 20.539 -17.102 1.00 0.00 C ATOM 464 OE1 GLN A 31 -15.632 19.384 -17.478 1.00 0.00 O ATOM 465 NE2 GLN A 31 -16.265 21.535 -17.310 1.00 0.00 N ATOM 0 H GLN A 31 -11.540 19.637 -16.711 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.287 21.038 -14.394 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.607 18.846 -16.030 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.408 19.616 -14.675 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.288 21.793 -15.779 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.349 21.114 -17.094 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.042 22.475 -16.982 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.143 21.361 -17.798 1.00 0.00 H new ATOM 474 N LEU A 32 -11.864 17.784 -13.986 1.00 0.00 N ATOM 475 CA LEU A 32 -11.724 16.735 -12.982 1.00 0.00 C ATOM 476 C LEU A 32 -10.445 16.914 -12.175 1.00 0.00 C ATOM 477 O LEU A 32 -10.412 16.635 -10.976 1.00 0.00 O ATOM 478 CB LEU A 32 -11.723 15.356 -13.653 1.00 0.00 C ATOM 479 CG LEU A 32 -13.060 14.912 -14.262 1.00 0.00 C ATOM 480 CD1 LEU A 32 -12.851 13.640 -15.072 1.00 0.00 C ATOM 481 CD2 LEU A 32 -14.075 14.692 -13.150 1.00 0.00 C ATOM 0 H LEU A 32 -11.773 17.460 -14.949 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.573 16.806 -12.302 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.968 15.355 -14.440 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.416 14.614 -12.916 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.442 15.685 -14.929 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.800 13.324 -15.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.134 13.831 -15.870 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.469 12.853 -14.422 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.025 14.377 -13.582 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.710 13.920 -12.472 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.218 15.621 -12.599 1.00 0.00 H new ATOM 493 N LYS A 33 -9.392 17.382 -12.838 1.00 0.00 N ATOM 494 CA LYS A 33 -8.138 17.692 -12.163 1.00 0.00 C ATOM 495 C LYS A 33 -8.340 18.746 -11.082 1.00 0.00 C ATOM 496 O LYS A 33 -7.884 18.584 -9.950 1.00 0.00 O ATOM 497 CB LYS A 33 -7.090 18.167 -13.172 1.00 0.00 C ATOM 498 CG LYS A 33 -5.727 18.473 -12.566 1.00 0.00 C ATOM 499 CD LYS A 33 -4.725 18.877 -13.637 1.00 0.00 C ATOM 500 CE LYS A 33 -3.370 19.211 -13.030 1.00 0.00 C ATOM 501 NZ LYS A 33 -2.396 19.667 -14.059 1.00 0.00 N ATOM 0 H LYS A 33 -9.383 17.555 -13.843 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.782 16.779 -11.686 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.970 17.402 -13.939 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.462 19.062 -13.670 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.824 19.275 -11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.359 17.597 -12.032 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.613 18.067 -14.357 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.103 19.740 -14.185 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.492 19.989 -12.276 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.974 18.332 -12.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.486 19.884 -13.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.259 18.915 -14.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.761 20.520 -14.528 1.00 0.00 H new ATOM 515 N ASP A 34 -9.025 19.827 -11.438 1.00 0.00 N ATOM 516 CA ASP A 34 -9.309 20.901 -10.493 1.00 0.00 C ATOM 517 C ASP A 34 -10.171 20.405 -9.339 1.00 0.00 C ATOM 518 O ASP A 34 -9.967 20.791 -8.188 1.00 0.00 O ATOM 519 CB ASP A 34 -10.008 22.065 -11.197 1.00 0.00 C ATOM 520 CG ASP A 34 -9.074 22.859 -12.100 1.00 0.00 C ATOM 521 OD1 ASP A 34 -7.883 22.691 -11.985 1.00 0.00 O ATOM 522 OD2 ASP A 34 -9.560 23.626 -12.897 1.00 0.00 O ATOM 0 H ASP A 34 -9.395 19.983 -12.376 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.357 21.247 -10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.837 21.679 -11.790 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.435 22.732 -10.448 1.00 0.00 H new ATOM 527 N ILE A 35 -11.136 19.548 -9.655 1.00 0.00 N ATOM 528 CA ILE A 35 -11.983 18.938 -8.636 1.00 0.00 C ATOM 529 C ILE A 35 -11.165 18.070 -7.688 1.00 0.00 C ATOM 530 O ILE A 35 -11.321 18.148 -6.469 1.00 0.00 O ATOM 531 CB ILE A 35 -13.094 18.090 -9.280 1.00 0.00 C ATOM 532 CG1 ILE A 35 -14.096 18.989 -10.011 1.00 0.00 C ATOM 533 CG2 ILE A 35 -13.799 17.248 -8.228 1.00 0.00 C ATOM 534 CD1 ILE A 35 -15.044 18.236 -10.916 1.00 0.00 C ATOM 0 H ILE A 35 -11.351 19.260 -10.609 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.439 19.748 -8.066 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.639 17.418 -10.008 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.676 19.545 -9.274 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.548 19.722 -10.603 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.582 16.655 -8.701 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.078 16.584 -7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.243 17.901 -7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -15.723 18.940 -11.398 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.474 17.702 -11.676 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.620 17.523 -10.327 1.00 0.00 H new ATOM 546 N PHE A 36 -10.294 17.243 -8.254 1.00 0.00 N ATOM 547 CA PHE A 36 -9.567 16.246 -7.478 1.00 0.00 C ATOM 548 C PHE A 36 -8.438 16.885 -6.679 1.00 0.00 C ATOM 549 O PHE A 36 -7.884 16.270 -5.768 1.00 0.00 O ATOM 550 CB PHE A 36 -8.999 15.162 -8.396 1.00 0.00 C ATOM 551 CG PHE A 36 -10.046 14.273 -9.004 1.00 0.00 C ATOM 552 CD1 PHE A 36 -11.341 14.262 -8.507 1.00 0.00 C ATOM 553 CD2 PHE A 36 -9.739 13.447 -10.074 1.00 0.00 C ATOM 554 CE1 PHE A 36 -12.305 13.444 -9.066 1.00 0.00 C ATOM 555 CE2 PHE A 36 -10.701 12.629 -10.636 1.00 0.00 C ATOM 556 CZ PHE A 36 -11.985 12.628 -10.130 1.00 0.00 C ATOM 0 H PHE A 36 -10.074 17.243 -9.250 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.271 15.793 -6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.430 15.637 -9.195 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.299 14.548 -7.829 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.599 14.899 -7.674 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.736 13.443 -10.474 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -13.309 13.444 -8.669 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.448 11.991 -11.470 1.00 0.00 H new ATOM 0 HZ PHE A 36 -12.738 11.989 -10.567 1.00 0.00 H new ATOM 566 N SER A 37 -8.102 18.123 -7.026 1.00 0.00 N ATOM 567 CA SER A 37 -7.085 18.872 -6.300 1.00 0.00 C ATOM 568 C SER A 37 -7.542 19.191 -4.882 1.00 0.00 C ATOM 569 O SER A 37 -6.732 19.527 -4.019 1.00 0.00 O ATOM 570 CB SER A 37 -6.758 20.157 -7.036 1.00 0.00 C ATOM 571 OG SER A 37 -7.775 21.106 -6.866 1.00 0.00 O ATOM 0 H SER A 37 -8.520 18.629 -7.807 1.00 0.00 H new ATOM 0 HA SER A 37 -6.191 18.252 -6.239 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.814 20.560 -6.669 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.624 19.948 -8.097 1.00 0.00 H new ATOM 0 HG SER A 37 -8.616 20.752 -7.224 1.00 0.00 H new ATOM 577 N GLU A 38 -8.846 19.083 -4.649 1.00 0.00 N ATOM 578 CA GLU A 38 -9.415 19.363 -3.336 1.00 0.00 C ATOM 579 C GLU A 38 -8.823 18.447 -2.272 1.00 0.00 C ATOM 580 O GLU A 38 -8.717 18.823 -1.105 1.00 0.00 O ATOM 581 CB GLU A 38 -10.936 19.206 -3.369 1.00 0.00 C ATOM 582 CG GLU A 38 -11.663 20.285 -4.159 1.00 0.00 C ATOM 583 CD GLU A 38 -13.149 20.066 -4.220 1.00 0.00 C ATOM 584 OE1 GLU A 38 -13.588 19.002 -3.855 1.00 0.00 O ATOM 585 OE2 GLU A 38 -13.845 20.963 -4.632 1.00 0.00 O ATOM 0 H GLU A 38 -9.529 18.803 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.167 20.393 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.179 18.233 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.311 19.207 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.462 21.256 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.264 20.317 -5.173 1.00 0.00 H new ATOM 592 N VAL A 39 -8.439 17.243 -2.683 1.00 0.00 N ATOM 593 CA VAL A 39 -8.002 16.217 -1.744 1.00 0.00 C ATOM 594 C VAL A 39 -6.524 15.897 -1.926 1.00 0.00 C ATOM 595 O VAL A 39 -6.066 14.810 -1.576 1.00 0.00 O ATOM 596 CB VAL A 39 -8.829 14.932 -1.934 1.00 0.00 C ATOM 597 CG1 VAL A 39 -10.280 15.169 -1.543 1.00 0.00 C ATOM 598 CG2 VAL A 39 -8.730 14.461 -3.377 1.00 0.00 C ATOM 0 H VAL A 39 -8.422 16.954 -3.661 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.154 16.604 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.427 14.154 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.849 14.250 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -10.330 15.470 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.701 15.956 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.317 13.552 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.114 15.236 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.688 14.257 -3.622 1.00 0.00 H new ATOM 608 N GLY A 40 -5.781 16.852 -2.477 1.00 0.00 N ATOM 609 CA GLY A 40 -4.333 16.723 -2.595 1.00 0.00 C ATOM 610 C GLY A 40 -3.838 17.274 -3.926 1.00 0.00 C ATOM 611 O GLY A 40 -4.539 17.206 -4.936 1.00 0.00 O ATOM 0 H GLY A 40 -6.158 17.724 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.850 17.255 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.050 15.674 -2.505 1.00 0.00 H new ATOM 615 N PRO A 41 -2.627 17.820 -3.921 1.00 0.00 N ATOM 616 CA PRO A 41 -2.022 18.355 -5.135 1.00 0.00 C ATOM 617 C PRO A 41 -1.970 17.301 -6.234 1.00 0.00 C ATOM 618 O PRO A 41 -1.461 16.199 -6.027 1.00 0.00 O ATOM 619 CB PRO A 41 -0.619 18.759 -4.673 1.00 0.00 C ATOM 620 CG PRO A 41 -0.783 19.049 -3.220 1.00 0.00 C ATOM 621 CD PRO A 41 -1.762 18.012 -2.739 1.00 0.00 C ATOM 0 HA PRO A 41 -2.581 19.185 -5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.102 17.959 -4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.257 19.633 -5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.167 18.975 -2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.161 20.058 -3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.264 17.088 -2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.327 18.358 -1.874 1.00 0.00 H new ATOM 629 N VAL A 42 -2.498 17.646 -7.403 1.00 0.00 N ATOM 630 CA VAL A 42 -2.489 16.740 -8.546 1.00 0.00 C ATOM 631 C VAL A 42 -1.386 17.107 -9.531 1.00 0.00 C ATOM 632 O VAL A 42 -1.362 18.216 -10.065 1.00 0.00 O ATOM 633 CB VAL A 42 -3.849 16.774 -9.266 1.00 0.00 C ATOM 634 CG1 VAL A 42 -3.835 15.851 -10.476 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.957 16.380 -8.301 1.00 0.00 C ATOM 0 H VAL A 42 -2.938 18.548 -7.584 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.300 15.734 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.037 17.789 -9.617 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.804 15.888 -10.973 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.059 16.173 -11.170 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.631 14.830 -10.153 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.916 16.406 -8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.773 15.372 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.976 17.078 -7.464 1.00 0.00 H new ATOM 645 N VAL A 43 -0.475 16.170 -9.768 1.00 0.00 N ATOM 646 CA VAL A 43 0.621 16.386 -10.704 1.00 0.00 C ATOM 647 C VAL A 43 0.129 16.352 -12.146 1.00 0.00 C ATOM 648 O VAL A 43 0.457 17.228 -12.945 1.00 0.00 O ATOM 649 CB VAL A 43 1.709 15.313 -10.511 1.00 0.00 C ATOM 650 CG1 VAL A 43 2.766 15.424 -11.600 1.00 0.00 C ATOM 651 CG2 VAL A 43 2.337 15.456 -9.133 1.00 0.00 C ATOM 0 H VAL A 43 -0.474 15.252 -9.324 1.00 0.00 H new ATOM 0 HA VAL A 43 1.040 17.372 -10.501 1.00 0.00 H new ATOM 0 HB VAL A 43 1.251 14.327 -10.585 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.527 14.658 -11.448 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.300 15.284 -12.575 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.230 16.410 -11.558 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.106 14.694 -9.003 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.786 16.445 -9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.570 15.332 -8.369 1.00 0.00 H new ATOM 661 N SER A 44 -0.660 15.334 -12.471 1.00 0.00 N ATOM 662 CA SER A 44 -1.157 15.154 -13.830 1.00 0.00 C ATOM 663 C SER A 44 -2.514 14.462 -13.834 1.00 0.00 C ATOM 664 O SER A 44 -2.888 13.802 -12.864 1.00 0.00 O ATOM 665 CB SER A 44 -0.166 14.346 -14.646 1.00 0.00 C ATOM 666 OG SER A 44 -0.155 13.006 -14.238 1.00 0.00 O ATOM 0 H SER A 44 -0.969 14.620 -11.811 1.00 0.00 H new ATOM 0 HA SER A 44 -1.275 16.141 -14.277 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.425 14.406 -15.703 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.832 14.771 -14.538 1.00 0.00 H new ATOM 0 HG SER A 44 0.692 12.809 -13.786 1.00 0.00 H new ATOM 672 N PHE A 45 -3.249 14.618 -14.930 1.00 0.00 N ATOM 673 CA PHE A 45 -4.524 13.931 -15.102 1.00 0.00 C ATOM 674 C PHE A 45 -4.814 13.667 -16.574 1.00 0.00 C ATOM 675 O PHE A 45 -4.686 14.561 -17.411 1.00 0.00 O ATOM 676 CB PHE A 45 -5.660 14.754 -14.492 1.00 0.00 C ATOM 677 CG PHE A 45 -6.986 14.047 -14.488 1.00 0.00 C ATOM 678 CD1 PHE A 45 -7.335 13.205 -13.443 1.00 0.00 C ATOM 679 CD2 PHE A 45 -7.885 14.222 -15.529 1.00 0.00 C ATOM 680 CE1 PHE A 45 -8.555 12.554 -13.438 1.00 0.00 C ATOM 681 CE2 PHE A 45 -9.105 13.574 -15.526 1.00 0.00 C ATOM 682 CZ PHE A 45 -9.439 12.738 -14.479 1.00 0.00 C ATOM 0 H PHE A 45 -2.983 15.215 -15.713 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.457 12.973 -14.587 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.396 15.017 -13.468 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.758 15.688 -15.046 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.647 13.056 -12.624 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.628 14.873 -16.352 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.815 11.901 -12.618 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.797 13.721 -16.342 1.00 0.00 H new ATOM 0 HZ PHE A 45 -10.392 12.229 -14.476 1.00 0.00 H new ATOM 692 N ARG A 46 -5.205 12.436 -16.883 1.00 0.00 N ATOM 693 CA ARG A 46 -5.520 12.054 -18.255 1.00 0.00 C ATOM 694 C ARG A 46 -6.736 11.139 -18.306 1.00 0.00 C ATOM 695 O ARG A 46 -6.923 10.289 -17.435 1.00 0.00 O ATOM 696 CB ARG A 46 -4.333 11.353 -18.900 1.00 0.00 C ATOM 697 CG ARG A 46 -3.110 12.231 -19.114 1.00 0.00 C ATOM 698 CD ARG A 46 -3.341 13.245 -20.174 1.00 0.00 C ATOM 699 NE ARG A 46 -2.140 14.013 -20.460 1.00 0.00 N ATOM 700 CZ ARG A 46 -1.776 15.135 -19.809 1.00 0.00 C ATOM 701 NH1 ARG A 46 -2.529 15.606 -18.840 1.00 0.00 N ATOM 702 NH2 ARG A 46 -0.662 15.762 -20.145 1.00 0.00 N ATOM 0 H ARG A 46 -5.312 11.685 -16.202 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.745 12.967 -18.807 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.049 10.504 -18.278 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.647 10.951 -19.863 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.854 12.732 -18.181 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.258 11.608 -19.386 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.680 12.749 -21.083 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.138 13.920 -19.863 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.530 13.679 -21.206 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.389 15.122 -18.581 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.254 16.455 -18.347 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.078 15.396 -20.897 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.386 16.611 -19.652 1.00 0.00 H new ATOM 716 N LEU A 47 -7.561 11.317 -19.332 1.00 0.00 N ATOM 717 CA LEU A 47 -8.739 10.479 -19.523 1.00 0.00 C ATOM 718 C LEU A 47 -8.503 9.435 -20.606 1.00 0.00 C ATOM 719 O LEU A 47 -7.888 9.720 -21.633 1.00 0.00 O ATOM 720 CB LEU A 47 -9.950 11.345 -19.893 1.00 0.00 C ATOM 721 CG LEU A 47 -10.490 12.247 -18.776 1.00 0.00 C ATOM 722 CD1 LEU A 47 -11.606 13.124 -19.326 1.00 0.00 C ATOM 723 CD2 LEU A 47 -10.987 11.387 -17.624 1.00 0.00 C ATOM 0 H LEU A 47 -7.435 12.035 -20.045 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.937 9.961 -18.585 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.679 11.972 -20.742 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.754 10.689 -20.226 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.696 12.894 -18.403 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.990 13.765 -18.532 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.218 13.742 -20.136 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.411 12.494 -19.705 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.371 12.028 -16.830 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -11.783 10.731 -17.977 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.164 10.785 -17.238 1.00 0.00 H new ATOM 735 N VAL A 48 -8.997 8.224 -20.370 1.00 0.00 N ATOM 736 CA VAL A 48 -8.925 7.160 -21.365 1.00 0.00 C ATOM 737 C VAL A 48 -10.138 7.185 -22.286 1.00 0.00 C ATOM 738 O VAL A 48 -11.277 7.270 -21.826 1.00 0.00 O ATOM 739 CB VAL A 48 -8.837 5.787 -20.674 1.00 0.00 C ATOM 740 CG1 VAL A 48 -8.827 4.670 -21.707 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.593 5.725 -19.801 1.00 0.00 C ATOM 0 H VAL A 48 -9.452 7.955 -19.498 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.029 7.326 -21.963 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.714 5.653 -20.041 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.764 3.707 -21.201 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.743 4.711 -22.296 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.966 4.791 -22.365 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.537 4.751 -19.315 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.707 5.874 -20.419 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.642 6.506 -19.042 1.00 0.00 H new ATOM 751 N TYR A 49 -9.887 7.111 -23.589 1.00 0.00 N ATOM 752 CA TYR A 49 -10.946 7.246 -24.582 1.00 0.00 C ATOM 753 C TYR A 49 -10.746 6.273 -25.736 1.00 0.00 C ATOM 754 O TYR A 49 -9.670 5.695 -25.895 1.00 0.00 O ATOM 755 CB TYR A 49 -11.011 8.683 -25.104 1.00 0.00 C ATOM 756 CG TYR A 49 -9.788 9.103 -25.889 1.00 0.00 C ATOM 757 CD1 TYR A 49 -9.775 8.980 -27.270 1.00 0.00 C ATOM 758 CD2 TYR A 49 -8.680 9.610 -25.227 1.00 0.00 C ATOM 759 CE1 TYR A 49 -8.657 9.363 -27.987 1.00 0.00 C ATOM 760 CE2 TYR A 49 -7.563 9.993 -25.944 1.00 0.00 C ATOM 761 CZ TYR A 49 -7.549 9.871 -27.318 1.00 0.00 C ATOM 762 OH TYR A 49 -6.437 10.253 -28.032 1.00 0.00 O ATOM 0 H TYR A 49 -8.958 6.958 -23.982 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.892 7.005 -24.097 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.892 8.790 -25.737 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.140 9.361 -24.260 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.638 8.585 -27.785 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.690 9.705 -24.151 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.644 9.268 -29.063 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.700 10.388 -25.428 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.752 10.587 -27.416 1.00 0.00 H new ATOM 772 N ASP A 50 -11.788 6.096 -26.542 1.00 0.00 N ATOM 773 CA ASP A 50 -11.716 5.222 -27.707 1.00 0.00 C ATOM 774 C ASP A 50 -10.798 5.803 -28.775 1.00 0.00 C ATOM 775 O ASP A 50 -11.098 6.838 -29.369 1.00 0.00 O ATOM 776 CB ASP A 50 -13.111 4.994 -28.294 1.00 0.00 C ATOM 777 CG ASP A 50 -13.112 4.007 -29.453 1.00 0.00 C ATOM 778 OD1 ASP A 50 -12.049 3.640 -29.896 1.00 0.00 O ATOM 779 OD2 ASP A 50 -14.175 3.629 -29.884 1.00 0.00 O ATOM 0 H ASP A 50 -12.693 6.547 -26.409 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.305 4.267 -27.379 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.774 4.627 -27.510 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.517 5.947 -28.634 1.00 0.00 H new ATOM 784 N ARG A 51 -9.677 5.130 -29.014 1.00 0.00 N ATOM 785 CA ARG A 51 -8.653 5.643 -29.916 1.00 0.00 C ATOM 786 C ARG A 51 -9.186 5.772 -31.338 1.00 0.00 C ATOM 787 O ARG A 51 -8.708 6.595 -32.118 1.00 0.00 O ATOM 788 CB ARG A 51 -7.434 4.734 -29.915 1.00 0.00 C ATOM 789 CG ARG A 51 -6.633 4.739 -28.622 1.00 0.00 C ATOM 790 CD ARG A 51 -5.433 3.868 -28.716 1.00 0.00 C ATOM 791 NE ARG A 51 -4.660 3.876 -27.485 1.00 0.00 N ATOM 792 CZ ARG A 51 -4.805 2.986 -26.484 1.00 0.00 C ATOM 793 NH1 ARG A 51 -5.697 2.025 -26.584 1.00 0.00 N ATOM 794 NH2 ARG A 51 -4.052 3.079 -25.402 1.00 0.00 N ATOM 0 H ARG A 51 -9.455 4.227 -28.595 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.367 6.632 -29.557 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.759 3.714 -30.120 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.777 5.030 -30.733 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.326 5.758 -28.388 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.265 4.401 -27.801 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.742 2.848 -28.944 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.805 4.203 -29.541 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.958 4.607 -27.371 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.278 1.954 -27.419 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.807 1.351 -25.827 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.361 3.825 -25.324 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.162 2.405 -24.644 1.00 0.00 H new ATOM 808 N GLU A 52 -10.178 4.952 -31.668 1.00 0.00 N ATOM 809 CA GLU A 52 -10.727 4.920 -33.019 1.00 0.00 C ATOM 810 C GLU A 52 -11.863 5.923 -33.175 1.00 0.00 C ATOM 811 O GLU A 52 -12.033 6.521 -34.237 1.00 0.00 O ATOM 812 CB GLU A 52 -11.226 3.513 -33.358 1.00 0.00 C ATOM 813 CG GLU A 52 -10.128 2.464 -33.456 1.00 0.00 C ATOM 814 CD GLU A 52 -10.651 1.101 -33.815 1.00 0.00 C ATOM 815 OE1 GLU A 52 -11.841 0.963 -33.965 1.00 0.00 O ATOM 816 OE2 GLU A 52 -9.860 0.196 -33.939 1.00 0.00 O ATOM 0 H GLU A 52 -10.618 4.300 -31.018 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.930 5.194 -33.710 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.942 3.202 -32.598 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.763 3.549 -34.306 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.400 2.777 -34.204 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.602 2.406 -32.503 1.00 0.00 H new ATOM 823 N THR A 53 -12.638 6.102 -32.111 1.00 0.00 N ATOM 824 CA THR A 53 -13.803 6.978 -32.150 1.00 0.00 C ATOM 825 C THR A 53 -13.465 8.368 -31.627 1.00 0.00 C ATOM 826 O THR A 53 -13.733 9.372 -32.287 1.00 0.00 O ATOM 827 CB THR A 53 -14.968 6.388 -31.335 1.00 0.00 C ATOM 828 OG1 THR A 53 -15.331 5.109 -31.872 1.00 0.00 O ATOM 829 CG2 THR A 53 -16.174 7.313 -31.381 1.00 0.00 C ATOM 0 H THR A 53 -12.480 5.651 -31.210 1.00 0.00 H new ATOM 0 HA THR A 53 -14.109 7.061 -33.193 1.00 0.00 H new ATOM 0 HB THR A 53 -14.647 6.278 -30.299 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.995 4.400 -31.284 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.988 6.879 -30.799 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.905 8.283 -30.962 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.495 7.441 -32.415 1.00 0.00 H new ATOM 837 N GLY A 54 -12.875 8.420 -30.438 1.00 0.00 N ATOM 838 CA GLY A 54 -12.563 9.689 -29.792 1.00 0.00 C ATOM 839 C GLY A 54 -13.443 9.916 -28.570 1.00 0.00 C ATOM 840 O GLY A 54 -13.239 10.866 -27.813 1.00 0.00 O ATOM 0 H GLY A 54 -12.603 7.596 -29.901 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.514 9.701 -29.495 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.703 10.505 -30.501 1.00 0.00 H new ATOM 844 N LYS A 55 -14.423 9.038 -28.381 1.00 0.00 N ATOM 845 CA LYS A 55 -15.353 9.156 -27.265 1.00 0.00 C ATOM 846 C LYS A 55 -14.749 8.597 -25.983 1.00 0.00 C ATOM 847 O LYS A 55 -14.237 7.478 -25.964 1.00 0.00 O ATOM 848 CB LYS A 55 -16.666 8.440 -27.583 1.00 0.00 C ATOM 849 CG LYS A 55 -17.738 8.583 -26.511 1.00 0.00 C ATOM 850 CD LYS A 55 -19.034 7.907 -26.931 1.00 0.00 C ATOM 851 CE LYS A 55 -20.106 8.049 -25.860 1.00 0.00 C ATOM 852 NZ LYS A 55 -21.380 7.392 -26.257 1.00 0.00 N ATOM 0 H LYS A 55 -14.593 8.236 -28.988 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.556 10.216 -27.112 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.057 8.826 -28.524 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.460 7.380 -27.734 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.383 8.145 -25.578 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.923 9.640 -26.317 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.389 8.345 -27.864 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.849 6.851 -27.125 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.748 7.612 -24.928 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.288 9.106 -25.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.083 7.512 -25.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.736 7.826 -27.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.213 6.378 -26.416 1.00 0.00 H new ATOM 866 N PRO A 56 -14.812 9.383 -24.913 1.00 0.00 N ATOM 867 CA PRO A 56 -14.320 8.946 -23.612 1.00 0.00 C ATOM 868 C PRO A 56 -14.955 7.625 -23.199 1.00 0.00 C ATOM 869 O PRO A 56 -16.143 7.397 -23.428 1.00 0.00 O ATOM 870 CB PRO A 56 -14.741 10.090 -22.683 1.00 0.00 C ATOM 871 CG PRO A 56 -14.782 11.286 -23.572 1.00 0.00 C ATOM 872 CD PRO A 56 -15.332 10.767 -24.873 1.00 0.00 C ATOM 0 HA PRO A 56 -13.246 8.760 -23.596 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.713 9.897 -22.229 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.030 10.224 -21.868 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.417 12.068 -23.156 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.790 11.717 -23.704 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.422 10.791 -24.891 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.986 11.355 -25.723 1.00 0.00 H new ATOM 880 N LYS A 57 -14.157 6.756 -22.588 1.00 0.00 N ATOM 881 CA LYS A 57 -14.651 5.475 -22.097 1.00 0.00 C ATOM 882 C LYS A 57 -15.214 5.606 -20.688 1.00 0.00 C ATOM 883 O LYS A 57 -15.829 4.676 -20.166 1.00 0.00 O ATOM 884 CB LYS A 57 -13.539 4.426 -22.124 1.00 0.00 C ATOM 885 CG LYS A 57 -13.082 4.029 -23.522 1.00 0.00 C ATOM 886 CD LYS A 57 -11.997 2.964 -23.467 1.00 0.00 C ATOM 887 CE LYS A 57 -11.540 2.566 -24.863 1.00 0.00 C ATOM 888 NZ LYS A 57 -10.391 1.621 -24.824 1.00 0.00 N ATOM 0 H LYS A 57 -13.164 6.916 -22.421 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.456 5.153 -22.757 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.682 4.808 -21.570 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.885 3.534 -21.601 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.932 3.656 -24.093 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.706 4.907 -24.047 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.147 3.338 -22.897 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.373 2.086 -22.941 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.370 2.106 -25.399 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.257 3.459 -25.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.111 1.375 -25.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.590 2.069 -24.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.669 0.758 -24.315 1.00 0.00 H new ATOM 902 N GLY A 58 -15.000 6.765 -20.075 1.00 0.00 N ATOM 903 CA GLY A 58 -15.486 7.020 -18.725 1.00 0.00 C ATOM 904 C GLY A 58 -14.441 6.641 -17.683 1.00 0.00 C ATOM 905 O GLY A 58 -14.768 6.398 -16.521 1.00 0.00 O ATOM 0 H GLY A 58 -14.492 7.544 -20.493 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.742 8.074 -18.621 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.400 6.452 -18.551 1.00 0.00 H new ATOM 909 N TYR A 59 -13.182 6.593 -18.105 1.00 0.00 N ATOM 910 CA TYR A 59 -12.086 6.249 -17.207 1.00 0.00 C ATOM 911 C TYR A 59 -10.907 7.197 -17.389 1.00 0.00 C ATOM 912 O TYR A 59 -10.793 7.871 -18.413 1.00 0.00 O ATOM 913 CB TYR A 59 -11.642 4.802 -17.433 1.00 0.00 C ATOM 914 CG TYR A 59 -12.740 3.785 -17.211 1.00 0.00 C ATOM 915 CD1 TYR A 59 -13.531 3.374 -18.274 1.00 0.00 C ATOM 916 CD2 TYR A 59 -12.956 3.264 -15.944 1.00 0.00 C ATOM 917 CE1 TYR A 59 -14.533 2.446 -18.071 1.00 0.00 C ATOM 918 CE2 TYR A 59 -13.958 2.335 -15.741 1.00 0.00 C ATOM 919 CZ TYR A 59 -14.745 1.927 -16.799 1.00 0.00 C ATOM 920 OH TYR A 59 -15.743 1.002 -16.597 1.00 0.00 O ATOM 0 H TYR A 59 -12.895 6.788 -19.064 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.448 6.350 -16.184 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.267 4.702 -18.452 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.811 4.578 -16.764 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.363 3.780 -19.261 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -12.341 3.585 -15.116 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.150 2.125 -18.897 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.126 1.928 -14.755 1.00 0.00 H new ATOM 0 HH TYR A 59 -15.759 0.739 -15.653 1.00 0.00 H new ATOM 930 N GLY A 60 -10.033 7.245 -16.390 1.00 0.00 N ATOM 931 CA GLY A 60 -8.831 8.067 -16.462 1.00 0.00 C ATOM 932 C GLY A 60 -7.964 7.884 -15.223 1.00 0.00 C ATOM 933 O GLY A 60 -8.302 7.114 -14.324 1.00 0.00 O ATOM 0 H GLY A 60 -10.135 6.723 -15.519 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.259 7.803 -17.352 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.110 9.116 -16.562 1.00 0.00 H new ATOM 937 N PHE A 61 -6.842 8.596 -15.182 1.00 0.00 N ATOM 938 CA PHE A 61 -5.903 8.482 -14.073 1.00 0.00 C ATOM 939 C PHE A 61 -5.620 9.842 -13.448 1.00 0.00 C ATOM 940 O PHE A 61 -5.583 10.858 -14.141 1.00 0.00 O ATOM 941 CB PHE A 61 -4.592 7.850 -14.546 1.00 0.00 C ATOM 942 CG PHE A 61 -4.741 6.435 -15.029 1.00 0.00 C ATOM 943 CD1 PHE A 61 -5.090 6.169 -16.344 1.00 0.00 C ATOM 944 CD2 PHE A 61 -4.532 5.368 -14.169 1.00 0.00 C ATOM 945 CE1 PHE A 61 -5.228 4.868 -16.790 1.00 0.00 C ATOM 946 CE2 PHE A 61 -4.668 4.066 -14.611 1.00 0.00 C ATOM 947 CZ PHE A 61 -5.016 3.817 -15.924 1.00 0.00 C ATOM 0 H PHE A 61 -6.561 9.258 -15.905 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.359 7.843 -13.317 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.176 8.457 -15.350 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.873 7.871 -13.727 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.256 6.988 -17.028 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.260 5.557 -13.141 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.502 4.675 -17.817 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.502 3.244 -13.930 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.122 2.800 -16.272 1.00 0.00 H new ATOM 957 N CYS A 62 -5.421 9.854 -12.134 1.00 0.00 N ATOM 958 CA CYS A 62 -5.117 11.086 -11.417 1.00 0.00 C ATOM 959 C CYS A 62 -3.856 10.937 -10.577 1.00 0.00 C ATOM 960 O CYS A 62 -3.858 10.258 -9.550 1.00 0.00 O ATOM 961 CB CYS A 62 -6.283 11.482 -10.511 1.00 0.00 C ATOM 962 SG CYS A 62 -6.036 13.041 -9.628 1.00 0.00 S ATOM 0 H CYS A 62 -5.465 9.023 -11.544 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.954 11.866 -12.161 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.188 11.558 -11.114 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -6.450 10.687 -9.784 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.831 12.798 -8.367 1.00 0.00 H new ATOM 968 N GLU A 63 -2.778 11.577 -11.018 1.00 0.00 N ATOM 969 CA GLU A 63 -1.486 11.451 -10.354 1.00 0.00 C ATOM 970 C GLU A 63 -1.302 12.532 -9.297 1.00 0.00 C ATOM 971 O GLU A 63 -1.359 13.724 -9.599 1.00 0.00 O ATOM 972 CB GLU A 63 -0.351 11.525 -11.377 1.00 0.00 C ATOM 973 CG GLU A 63 1.039 11.323 -10.790 1.00 0.00 C ATOM 974 CD GLU A 63 2.120 11.311 -11.835 1.00 0.00 C ATOM 975 OE1 GLU A 63 1.872 11.772 -12.924 1.00 0.00 O ATOM 976 OE2 GLU A 63 3.194 10.840 -11.545 1.00 0.00 O ATOM 0 H GLU A 63 -2.774 12.189 -11.834 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.459 10.480 -9.859 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.521 10.771 -12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.386 12.496 -11.871 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.244 12.117 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.062 10.382 -10.240 1.00 0.00 H new ATOM 983 N TYR A 64 -1.082 12.109 -8.057 1.00 0.00 N ATOM 984 CA TYR A 64 -0.891 13.041 -6.952 1.00 0.00 C ATOM 985 C TYR A 64 0.586 13.194 -6.610 1.00 0.00 C ATOM 986 O TYR A 64 1.394 12.312 -6.899 1.00 0.00 O ATOM 987 CB TYR A 64 -1.675 12.580 -5.722 1.00 0.00 C ATOM 988 CG TYR A 64 -3.174 12.729 -5.863 1.00 0.00 C ATOM 989 CD1 TYR A 64 -3.919 11.716 -6.448 1.00 0.00 C ATOM 990 CD2 TYR A 64 -3.803 13.878 -5.407 1.00 0.00 C ATOM 991 CE1 TYR A 64 -5.288 11.851 -6.577 1.00 0.00 C ATOM 992 CE2 TYR A 64 -5.172 14.013 -5.535 1.00 0.00 C ATOM 993 CZ TYR A 64 -5.913 13.005 -6.117 1.00 0.00 C ATOM 994 OH TYR A 64 -7.276 13.140 -6.246 1.00 0.00 O ATOM 0 H TYR A 64 -1.031 11.125 -7.792 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.268 14.014 -7.266 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.440 11.534 -5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.342 13.151 -4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.429 10.821 -6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.223 14.667 -4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.870 11.064 -7.033 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.662 14.907 -5.180 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.552 14.016 -5.904 1.00 0.00 H new ATOM 1004 N GLN A 65 0.931 14.320 -5.994 1.00 0.00 N ATOM 1005 CA GLN A 65 2.314 14.598 -5.627 1.00 0.00 C ATOM 1006 C GLN A 65 2.851 13.547 -4.664 1.00 0.00 C ATOM 1007 O GLN A 65 3.942 13.010 -4.861 1.00 0.00 O ATOM 1008 CB GLN A 65 2.432 15.990 -5.000 1.00 0.00 C ATOM 1009 CG GLN A 65 3.852 16.392 -4.639 1.00 0.00 C ATOM 1010 CD GLN A 65 4.724 16.597 -5.863 1.00 0.00 C ATOM 1011 OE1 GLN A 65 4.351 17.314 -6.795 1.00 0.00 O ATOM 1012 NE2 GLN A 65 5.894 15.969 -5.867 1.00 0.00 N ATOM 0 H GLN A 65 0.271 15.055 -5.739 1.00 0.00 H new ATOM 0 HA GLN A 65 2.912 14.565 -6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.024 16.725 -5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.817 16.025 -4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.829 17.312 -4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.294 15.623 -4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.162 15.386 -5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.524 16.070 -6.663 1.00 0.00 H new ATOM 1021 N ASP A 66 2.079 13.257 -3.622 1.00 0.00 N ATOM 1022 CA ASP A 66 2.496 12.302 -2.602 1.00 0.00 C ATOM 1023 C ASP A 66 1.601 11.070 -2.602 1.00 0.00 C ATOM 1024 O ASP A 66 0.406 11.159 -2.886 1.00 0.00 O ATOM 1025 CB ASP A 66 2.477 12.954 -1.217 1.00 0.00 C ATOM 1026 CG ASP A 66 3.504 14.070 -1.073 1.00 0.00 C ATOM 1027 OD1 ASP A 66 4.467 14.061 -1.802 1.00 0.00 O ATOM 1028 OD2 ASP A 66 3.314 14.920 -0.236 1.00 0.00 O ATOM 0 H ASP A 66 1.160 13.670 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 66 3.513 11.990 -2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.482 13.355 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.666 12.193 -0.460 1.00 0.00 H new ATOM 1033 N GLN A 67 2.185 9.920 -2.282 1.00 0.00 N ATOM 1034 CA GLN A 67 1.431 8.675 -2.198 1.00 0.00 C ATOM 1035 C GLN A 67 0.429 8.714 -1.051 1.00 0.00 C ATOM 1036 O GLN A 67 -0.652 8.132 -1.139 1.00 0.00 O ATOM 1037 CB GLN A 67 2.379 7.485 -2.024 1.00 0.00 C ATOM 1038 CG GLN A 67 3.232 7.186 -3.245 1.00 0.00 C ATOM 1039 CD GLN A 67 4.234 6.075 -2.992 1.00 0.00 C ATOM 1040 OE1 GLN A 67 4.159 5.370 -1.981 1.00 0.00 O ATOM 1041 NE2 GLN A 67 5.180 5.912 -3.910 1.00 0.00 N ATOM 0 H GLN A 67 3.179 9.825 -2.076 1.00 0.00 H new ATOM 0 HA GLN A 67 0.879 8.557 -3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.035 7.678 -1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.792 6.600 -1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.586 6.906 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.763 8.090 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.204 6.518 -4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.882 5.181 -3.795 1.00 0.00 H new ATOM 1050 N GLU A 68 0.795 9.404 0.024 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.082 9.542 1.180 1.00 0.00 C ATOM 1052 C GLU A 68 -1.332 10.338 0.831 1.00 0.00 C ATOM 1053 O GLU A 68 -2.426 10.033 1.306 1.00 0.00 O ATOM 1054 CB GLU A 68 0.660 10.220 2.335 1.00 0.00 C ATOM 1055 CG GLU A 68 1.760 9.372 2.959 1.00 0.00 C ATOM 1056 CD GLU A 68 2.508 10.093 4.046 1.00 0.00 C ATOM 1057 OE1 GLU A 68 2.296 11.271 4.207 1.00 0.00 O ATOM 1058 OE2 GLU A 68 3.292 9.464 4.717 1.00 0.00 O ATOM 0 H GLU A 68 1.694 9.877 0.118 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.387 8.542 1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.096 11.151 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.061 10.485 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.322 8.462 3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.462 9.067 2.183 1.00 0.00 H new ATOM 1065 N THR A 69 -1.164 11.360 -0.002 1.00 0.00 N ATOM 1066 CA THR A 69 -2.285 12.183 -0.440 1.00 0.00 C ATOM 1067 C THR A 69 -3.134 11.453 -1.473 1.00 0.00 C ATOM 1068 O THR A 69 -4.336 11.694 -1.584 1.00 0.00 O ATOM 1069 CB THR A 69 -1.794 13.520 -1.026 1.00 0.00 C ATOM 1070 OG1 THR A 69 -0.949 13.268 -2.156 1.00 0.00 O ATOM 1071 CG2 THR A 69 -1.017 14.307 0.019 1.00 0.00 C ATOM 0 H THR A 69 -0.261 11.638 -0.387 1.00 0.00 H new ATOM 0 HA THR A 69 -2.899 12.386 0.438 1.00 0.00 H new ATOM 0 HB THR A 69 -2.661 14.104 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.677 12.326 -2.158 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.678 15.249 -0.413 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.661 14.511 0.874 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.154 13.726 0.345 1.00 0.00 H new ATOM 1079 N ALA A 70 -2.502 10.560 -2.227 1.00 0.00 N ATOM 1080 CA ALA A 70 -3.220 9.697 -3.157 1.00 0.00 C ATOM 1081 C ALA A 70 -4.119 8.716 -2.415 1.00 0.00 C ATOM 1082 O ALA A 70 -5.252 8.465 -2.826 1.00 0.00 O ATOM 1083 CB ALA A 70 -2.241 8.947 -4.047 1.00 0.00 C ATOM 0 H ALA A 70 -1.492 10.415 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.852 10.328 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.792 8.307 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.644 9.661 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.584 8.335 -3.430 1.00 0.00 H new ATOM 1089 N LEU A 71 -3.608 8.164 -1.320 1.00 0.00 N ATOM 1090 CA LEU A 71 -4.386 7.256 -0.486 1.00 0.00 C ATOM 1091 C LEU A 71 -5.607 7.954 0.099 1.00 0.00 C ATOM 1092 O LEU A 71 -6.728 7.454 -0.004 1.00 0.00 O ATOM 1093 CB LEU A 71 -3.514 6.702 0.649 1.00 0.00 C ATOM 1094 CG LEU A 71 -4.231 5.791 1.653 1.00 0.00 C ATOM 1095 CD1 LEU A 71 -4.775 4.566 0.931 1.00 0.00 C ATOM 1096 CD2 LEU A 71 -3.262 5.389 2.756 1.00 0.00 C ATOM 0 H LEU A 71 -2.657 8.330 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.729 6.434 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.686 6.146 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.081 7.541 1.193 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.068 6.323 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.284 3.919 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.479 4.881 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.952 4.020 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.771 4.742 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.417 4.856 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.903 6.282 3.268 1.00 0.00 H new ATOM 1108 N SER A 72 -5.384 9.111 0.712 1.00 0.00 N ATOM 1109 CA SER A 72 -6.471 9.898 1.282 1.00 0.00 C ATOM 1110 C SER A 72 -7.451 10.344 0.205 1.00 0.00 C ATOM 1111 O SER A 72 -8.666 10.306 0.402 1.00 0.00 O ATOM 1112 CB SER A 72 -5.915 11.109 2.006 1.00 0.00 C ATOM 1113 OG SER A 72 -5.176 10.725 3.132 1.00 0.00 O ATOM 0 H SER A 72 -4.459 9.525 0.827 1.00 0.00 H new ATOM 0 HA SER A 72 -7.007 9.267 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.282 11.683 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.733 11.763 2.309 1.00 0.00 H new ATOM 0 HG SER A 72 -4.826 11.523 3.581 1.00 0.00 H new ATOM 1119 N ALA A 73 -6.917 10.767 -0.936 1.00 0.00 N ATOM 1120 CA ALA A 73 -7.744 11.156 -2.072 1.00 0.00 C ATOM 1121 C ALA A 73 -8.639 10.007 -2.520 1.00 0.00 C ATOM 1122 O ALA A 73 -9.833 10.193 -2.752 1.00 0.00 O ATOM 1123 CB ALA A 73 -6.871 11.627 -3.226 1.00 0.00 C ATOM 0 H ALA A 73 -5.913 10.849 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.385 11.979 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.503 11.914 -4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.279 12.485 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.205 10.820 -3.532 1.00 0.00 H new ATOM 1129 N MET A 74 -8.054 8.820 -2.639 1.00 0.00 N ATOM 1130 CA MET A 74 -8.808 7.629 -3.012 1.00 0.00 C ATOM 1131 C MET A 74 -9.984 7.404 -2.070 1.00 0.00 C ATOM 1132 O MET A 74 -11.105 7.151 -2.511 1.00 0.00 O ATOM 1133 CB MET A 74 -7.892 6.407 -3.022 1.00 0.00 C ATOM 1134 CG MET A 74 -8.583 5.105 -3.402 1.00 0.00 C ATOM 1135 SD MET A 74 -9.429 4.334 -2.008 1.00 0.00 S ATOM 1136 CE MET A 74 -8.035 3.805 -1.016 1.00 0.00 C ATOM 0 H MET A 74 -7.059 8.657 -2.482 1.00 0.00 H new ATOM 0 HA MET A 74 -9.207 7.780 -4.015 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.074 6.587 -3.720 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.448 6.293 -2.033 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.303 5.299 -4.197 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.845 4.410 -3.803 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.372 3.089 -0.267 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.289 3.335 -1.657 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.594 4.669 -0.519 1.00 0.00 H new ATOM 1146 N ARG A 75 -9.721 7.497 -0.771 1.00 0.00 N ATOM 1147 CA ARG A 75 -10.738 7.226 0.238 1.00 0.00 C ATOM 1148 C ARG A 75 -11.805 8.313 0.252 1.00 0.00 C ATOM 1149 O ARG A 75 -12.947 8.071 0.642 1.00 0.00 O ATOM 1150 CB ARG A 75 -10.108 7.120 1.619 1.00 0.00 C ATOM 1151 CG ARG A 75 -9.194 5.921 1.815 1.00 0.00 C ATOM 1152 CD ARG A 75 -8.612 5.892 3.181 1.00 0.00 C ATOM 1153 NE ARG A 75 -7.678 6.985 3.396 1.00 0.00 N ATOM 1154 CZ ARG A 75 -7.158 7.324 4.593 1.00 0.00 C ATOM 1155 NH1 ARG A 75 -7.490 6.646 5.669 1.00 0.00 N ATOM 1156 NH2 ARG A 75 -6.314 8.337 4.684 1.00 0.00 N ATOM 0 H ARG A 75 -8.811 7.758 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.208 6.277 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.538 8.029 1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.903 7.078 2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.755 5.003 1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.391 5.951 1.078 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.413 5.949 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.101 4.942 3.338 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.396 7.534 2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.141 5.864 5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.097 6.902 6.575 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.056 8.862 3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.921 8.593 5.590 1.00 0.00 H new ATOM 1170 N ASN A 76 -11.426 9.512 -0.177 1.00 0.00 N ATOM 1171 CA ASN A 76 -12.332 10.654 -0.159 1.00 0.00 C ATOM 1172 C ASN A 76 -13.157 10.723 -1.438 1.00 0.00 C ATOM 1173 O ASN A 76 -14.322 11.120 -1.415 1.00 0.00 O ATOM 1174 CB ASN A 76 -11.561 11.944 0.050 1.00 0.00 C ATOM 1175 CG ASN A 76 -11.024 12.077 1.448 1.00 0.00 C ATOM 1176 OD1 ASN A 76 -11.554 11.477 2.390 1.00 0.00 O ATOM 1177 ND2 ASN A 76 -9.980 12.851 1.601 1.00 0.00 N ATOM 0 H ASN A 76 -10.496 9.718 -0.542 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.020 10.523 0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.734 11.987 -0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.212 12.791 -0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.571 12.978 2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.575 13.327 0.795 1.00 0.00 H new ATOM 1184 N LEU A 77 -12.546 10.335 -2.551 1.00 0.00 N ATOM 1185 CA LEU A 77 -13.173 10.480 -3.860 1.00 0.00 C ATOM 1186 C LEU A 77 -14.010 9.256 -4.208 1.00 0.00 C ATOM 1187 O LEU A 77 -15.038 9.365 -4.878 1.00 0.00 O ATOM 1188 CB LEU A 77 -12.104 10.700 -4.938 1.00 0.00 C ATOM 1189 CG LEU A 77 -11.278 11.985 -4.803 1.00 0.00 C ATOM 1190 CD1 LEU A 77 -10.183 11.999 -5.861 1.00 0.00 C ATOM 1191 CD2 LEU A 77 -12.191 13.193 -4.945 1.00 0.00 C ATOM 0 H LEU A 77 -11.616 9.917 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.832 11.347 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.423 9.849 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.592 10.705 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.807 12.024 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.596 12.912 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.534 11.134 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.634 11.960 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.604 14.106 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.672 13.172 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.952 13.167 -4.165 1.00 0.00 H new ATOM 1203 N ASN A 78 -13.565 8.091 -3.751 1.00 0.00 N ATOM 1204 CA ASN A 78 -14.246 6.838 -4.055 1.00 0.00 C ATOM 1205 C ASN A 78 -15.625 6.790 -3.411 1.00 0.00 C ATOM 1206 O ASN A 78 -15.748 6.678 -2.191 1.00 0.00 O ATOM 1207 CB ASN A 78 -13.407 5.653 -3.610 1.00 0.00 C ATOM 1208 CG ASN A 78 -13.998 4.337 -4.033 1.00 0.00 C ATOM 1209 OD1 ASN A 78 -14.449 4.182 -5.173 1.00 0.00 O ATOM 1210 ND2 ASN A 78 -14.003 3.384 -3.135 1.00 0.00 N ATOM 0 H ASN A 78 -12.734 7.988 -3.168 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.379 6.783 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.403 5.747 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.307 5.670 -2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.390 2.469 -3.365 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.620 3.557 -2.206 1.00 0.00 H new ATOM 1217 N GLY A 79 -16.662 6.876 -4.238 1.00 0.00 N ATOM 1218 CA GLY A 79 -18.035 6.807 -3.754 1.00 0.00 C ATOM 1219 C GLY A 79 -18.626 8.200 -3.573 1.00 0.00 C ATOM 1220 O GLY A 79 -19.792 8.348 -3.209 1.00 0.00 O ATOM 0 H GLY A 79 -16.577 6.994 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.644 6.240 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.062 6.271 -2.805 1.00 0.00 H new ATOM 1224 N ARG A 80 -17.813 9.219 -3.828 1.00 0.00 N ATOM 1225 CA ARG A 80 -18.263 10.602 -3.726 1.00 0.00 C ATOM 1226 C ARG A 80 -19.114 10.995 -4.927 1.00 0.00 C ATOM 1227 O ARG A 80 -18.812 10.625 -6.062 1.00 0.00 O ATOM 1228 CB ARG A 80 -17.074 11.546 -3.622 1.00 0.00 C ATOM 1229 CG ARG A 80 -17.434 13.021 -3.532 1.00 0.00 C ATOM 1230 CD ARG A 80 -16.229 13.870 -3.347 1.00 0.00 C ATOM 1231 NE ARG A 80 -16.543 15.286 -3.445 1.00 0.00 N ATOM 1232 CZ ARG A 80 -15.626 16.270 -3.512 1.00 0.00 C ATOM 1233 NH1 ARG A 80 -14.344 15.977 -3.489 1.00 0.00 N ATOM 1234 NH2 ARG A 80 -16.014 17.530 -3.600 1.00 0.00 N ATOM 0 H ARG A 80 -16.838 9.113 -4.107 1.00 0.00 H new ATOM 0 HA ARG A 80 -18.870 10.682 -2.824 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.489 11.275 -2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.432 11.396 -4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -17.957 13.324 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.121 13.178 -2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.785 13.663 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.483 13.611 -4.099 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.527 15.553 -3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.044 15.004 -3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.650 16.722 -3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.008 17.757 -3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.319 18.275 -3.651 1.00 0.00 H new ATOM 1248 N GLU A 81 -20.181 11.745 -4.670 1.00 0.00 N ATOM 1249 CA GLU A 81 -21.056 12.221 -5.734 1.00 0.00 C ATOM 1250 C GLU A 81 -20.529 13.513 -6.345 1.00 0.00 C ATOM 1251 O GLU A 81 -20.213 14.465 -5.631 1.00 0.00 O ATOM 1252 CB GLU A 81 -22.474 12.440 -5.200 1.00 0.00 C ATOM 1253 CG GLU A 81 -23.478 12.893 -6.250 1.00 0.00 C ATOM 1254 CD GLU A 81 -24.856 13.106 -5.688 1.00 0.00 C ATOM 1255 OE1 GLU A 81 -25.054 12.828 -4.530 1.00 0.00 O ATOM 1256 OE2 GLU A 81 -25.712 13.548 -6.418 1.00 0.00 O ATOM 0 H GLU A 81 -20.460 12.036 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.079 11.458 -6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -22.828 11.511 -4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.439 13.184 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -23.129 13.821 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -23.526 12.148 -7.045 1.00 0.00 H new ATOM 1263 N PHE A 82 -20.436 13.540 -7.670 1.00 0.00 N ATOM 1264 CA PHE A 82 -19.956 14.719 -8.380 1.00 0.00 C ATOM 1265 C PHE A 82 -21.020 15.266 -9.323 1.00 0.00 C ATOM 1266 O PHE A 82 -21.147 14.813 -10.461 1.00 0.00 O ATOM 1267 CB PHE A 82 -18.689 14.388 -9.171 1.00 0.00 C ATOM 1268 CG PHE A 82 -17.555 13.893 -8.319 1.00 0.00 C ATOM 1269 CD1 PHE A 82 -17.454 12.551 -7.985 1.00 0.00 C ATOM 1270 CD2 PHE A 82 -16.587 14.769 -7.850 1.00 0.00 C ATOM 1271 CE1 PHE A 82 -16.411 12.095 -7.201 1.00 0.00 C ATOM 1272 CE2 PHE A 82 -15.543 14.315 -7.068 1.00 0.00 C ATOM 1273 CZ PHE A 82 -15.455 12.977 -6.742 1.00 0.00 C ATOM 0 H PHE A 82 -20.687 12.758 -8.274 1.00 0.00 H new ATOM 0 HA PHE A 82 -19.727 15.482 -7.636 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -18.926 13.632 -9.919 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -18.365 15.279 -9.709 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.198 11.854 -8.341 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.650 15.818 -8.099 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -16.345 11.047 -6.948 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.795 15.008 -6.711 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.640 12.621 -6.129 1.00 0.00 H new ATOM 1283 N SER A 83 -21.784 16.242 -8.843 1.00 0.00 N ATOM 1284 CA SER A 83 -22.827 16.865 -9.649 1.00 0.00 C ATOM 1285 C SER A 83 -23.815 15.829 -10.168 1.00 0.00 C ATOM 1286 O SER A 83 -24.284 15.917 -11.303 1.00 0.00 O ATOM 1287 CB SER A 83 -22.209 17.615 -10.813 1.00 0.00 C ATOM 1288 OG SER A 83 -21.355 18.629 -10.361 1.00 0.00 O ATOM 0 H SER A 83 -21.700 16.619 -7.899 1.00 0.00 H new ATOM 0 HA SER A 83 -23.369 17.566 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 83 -21.653 16.921 -11.443 1.00 0.00 H new ATOM 0 HB3 SER A 83 -22.996 18.047 -11.431 1.00 0.00 H new ATOM 0 HG SER A 83 -20.967 19.097 -11.130 1.00 0.00 H new ATOM 1294 N GLY A 84 -24.129 14.847 -9.330 1.00 0.00 N ATOM 1295 CA GLY A 84 -25.134 13.845 -9.665 1.00 0.00 C ATOM 1296 C GLY A 84 -24.491 12.494 -9.951 1.00 0.00 C ATOM 1297 O GLY A 84 -25.079 11.447 -9.683 1.00 0.00 O ATOM 0 H GLY A 84 -23.701 14.724 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -25.842 13.747 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -25.701 14.172 -10.536 1.00 0.00 H new ATOM 1301 N ARG A 85 -23.281 12.525 -10.498 1.00 0.00 N ATOM 1302 CA ARG A 85 -22.591 11.305 -10.901 1.00 0.00 C ATOM 1303 C ARG A 85 -21.477 10.953 -9.924 1.00 0.00 C ATOM 1304 O ARG A 85 -20.509 11.700 -9.776 1.00 0.00 O ATOM 1305 CB ARG A 85 -22.008 11.457 -12.298 1.00 0.00 C ATOM 1306 CG ARG A 85 -21.292 10.225 -12.830 1.00 0.00 C ATOM 1307 CD ARG A 85 -22.245 9.132 -13.152 1.00 0.00 C ATOM 1308 NE ARG A 85 -21.570 7.968 -13.703 1.00 0.00 N ATOM 1309 CZ ARG A 85 -22.195 6.860 -14.146 1.00 0.00 C ATOM 1310 NH1 ARG A 85 -23.506 6.780 -14.097 1.00 0.00 N ATOM 1311 NH2 ARG A 85 -21.489 5.853 -14.631 1.00 0.00 N ATOM 0 H ARG A 85 -22.757 13.383 -10.673 1.00 0.00 H new ATOM 0 HA ARG A 85 -23.324 10.499 -10.901 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -22.813 11.717 -12.986 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -21.309 12.293 -12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -20.727 10.490 -13.724 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -20.573 9.874 -12.090 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -22.786 8.845 -12.250 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -22.985 9.494 -13.866 1.00 0.00 H new ATOM 0 HE ARG A 85 -20.552 7.992 -13.758 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -24.051 7.557 -13.723 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -23.979 5.941 -14.433 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -20.472 5.915 -14.670 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -21.962 5.014 -14.967 1.00 0.00 H new ATOM 1325 N ALA A 86 -21.618 9.812 -9.259 1.00 0.00 N ATOM 1326 CA ALA A 86 -20.575 9.307 -8.374 1.00 0.00 C ATOM 1327 C ALA A 86 -19.464 8.627 -9.164 1.00 0.00 C ATOM 1328 O ALA A 86 -19.719 7.970 -10.173 1.00 0.00 O ATOM 1329 CB ALA A 86 -21.166 8.343 -7.355 1.00 0.00 C ATOM 0 H ALA A 86 -22.446 9.218 -9.316 1.00 0.00 H new ATOM 0 HA ALA A 86 -20.142 10.156 -7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -20.375 7.974 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -21.918 8.860 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -21.628 7.503 -7.874 1.00 0.00 H new ATOM 1335 N LEU A 87 -18.230 8.789 -8.699 1.00 0.00 N ATOM 1336 CA LEU A 87 -17.074 8.220 -9.380 1.00 0.00 C ATOM 1337 C LEU A 87 -16.431 7.118 -8.547 1.00 0.00 C ATOM 1338 O LEU A 87 -16.456 7.162 -7.317 1.00 0.00 O ATOM 1339 CB LEU A 87 -16.041 9.314 -9.676 1.00 0.00 C ATOM 1340 CG LEU A 87 -16.533 10.474 -10.551 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -15.414 11.493 -10.721 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -16.993 9.936 -11.897 1.00 0.00 C ATOM 0 H LEU A 87 -18.005 9.311 -7.852 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.419 7.785 -10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.689 9.722 -8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.182 8.854 -10.164 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.378 10.969 -10.073 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.764 12.317 -11.343 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.119 11.875 -9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.558 11.017 -11.198 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -17.342 10.761 -12.518 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.161 9.436 -12.392 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -17.806 9.226 -11.746 1.00 0.00 H new ATOM 1354 N ARG A 88 -15.854 6.131 -9.225 1.00 0.00 N ATOM 1355 CA ARG A 88 -15.143 5.052 -8.550 1.00 0.00 C ATOM 1356 C ARG A 88 -13.635 5.256 -8.622 1.00 0.00 C ATOM 1357 O ARG A 88 -13.068 5.386 -9.706 1.00 0.00 O ATOM 1358 CB ARG A 88 -15.500 3.708 -9.167 1.00 0.00 C ATOM 1359 CG ARG A 88 -14.781 2.514 -8.558 1.00 0.00 C ATOM 1360 CD ARG A 88 -15.348 1.228 -9.040 1.00 0.00 C ATOM 1361 NE ARG A 88 -15.194 1.072 -10.477 1.00 0.00 N ATOM 1362 CZ ARG A 88 -14.128 0.506 -11.076 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -13.132 0.048 -10.349 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -14.082 0.411 -12.393 1.00 0.00 N ATOM 0 H ARG A 88 -15.865 6.056 -10.242 1.00 0.00 H new ATOM 0 HA ARG A 88 -15.449 5.063 -7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.575 3.554 -9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.277 3.743 -10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.721 2.561 -8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.855 2.560 -7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.855 0.400 -8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.406 1.178 -8.781 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.946 1.415 -11.074 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.167 0.121 -9.332 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.325 -0.381 -10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.854 0.766 -12.957 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.275 -0.018 -12.846 1.00 0.00 H new ATOM 1378 N VAL A 89 -12.991 5.284 -7.460 1.00 0.00 N ATOM 1379 CA VAL A 89 -11.571 5.603 -7.379 1.00 0.00 C ATOM 1380 C VAL A 89 -10.812 4.543 -6.590 1.00 0.00 C ATOM 1381 O VAL A 89 -11.210 4.176 -5.484 1.00 0.00 O ATOM 1382 CB VAL A 89 -11.368 6.977 -6.714 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -9.889 7.326 -6.651 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -12.141 8.041 -7.478 1.00 0.00 C ATOM 0 H VAL A 89 -13.431 5.089 -6.561 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.179 5.628 -8.396 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.748 6.935 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.765 8.300 -6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.361 6.570 -6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.479 7.358 -7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.993 9.010 -7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.782 8.083 -8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.202 7.793 -7.474 1.00 0.00 H new ATOM 1394 N ASP A 90 -9.718 4.055 -7.165 1.00 0.00 N ATOM 1395 CA ASP A 90 -8.832 3.132 -6.465 1.00 0.00 C ATOM 1396 C ASP A 90 -7.421 3.185 -7.035 1.00 0.00 C ATOM 1397 O ASP A 90 -7.215 3.612 -8.172 1.00 0.00 O ATOM 1398 CB ASP A 90 -9.371 1.702 -6.551 1.00 0.00 C ATOM 1399 CG ASP A 90 -8.863 0.809 -5.427 1.00 0.00 C ATOM 1400 OD1 ASP A 90 -8.007 1.241 -4.692 1.00 0.00 O ATOM 1401 OD2 ASP A 90 -9.336 -0.296 -5.314 1.00 0.00 O ATOM 0 H ASP A 90 -9.423 4.283 -8.114 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.794 3.438 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.460 1.727 -6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.086 1.269 -7.510 1.00 0.00 H new ATOM 1406 N ASN A 91 -6.450 2.750 -6.239 1.00 0.00 N ATOM 1407 CA ASN A 91 -5.043 2.916 -6.585 1.00 0.00 C ATOM 1408 C ASN A 91 -4.723 2.256 -7.920 1.00 0.00 C ATOM 1409 O ASN A 91 -5.046 1.089 -8.140 1.00 0.00 O ATOM 1410 CB ASN A 91 -4.154 2.360 -5.488 1.00 0.00 C ATOM 1411 CG ASN A 91 -2.723 2.799 -5.626 1.00 0.00 C ATOM 1412 OD1 ASN A 91 -2.060 2.492 -6.624 1.00 0.00 O ATOM 1413 ND2 ASN A 91 -2.233 3.511 -4.643 1.00 0.00 N ATOM 0 H ASN A 91 -6.612 2.279 -5.349 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.846 3.984 -6.683 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.536 2.680 -4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.199 1.271 -5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.267 3.836 -4.681 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.817 3.740 -3.839 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.086 3.010 -8.809 1.00 0.00 N ATOM 1421 CA ALA A 92 -3.871 2.563 -10.180 1.00 0.00 C ATOM 1422 C ALA A 92 -2.975 1.332 -10.224 1.00 0.00 C ATOM 1423 O ALA A 92 -3.026 0.548 -11.171 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.271 3.684 -11.016 1.00 0.00 C ATOM 0 H ALA A 92 -3.709 3.935 -8.604 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.839 2.290 -10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.117 3.334 -12.037 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.951 4.536 -11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.315 3.986 -10.588 1.00 0.00 H new ATOM 1430 N ALA A 93 -2.153 1.168 -9.193 1.00 0.00 N ATOM 1431 CA ALA A 93 -1.165 0.097 -9.163 1.00 0.00 C ATOM 1432 C ALA A 93 -1.806 -1.235 -8.794 1.00 0.00 C ATOM 1433 O ALA A 93 -1.191 -2.292 -8.935 1.00 0.00 O ATOM 1434 CB ALA A 93 -0.047 0.434 -8.187 1.00 0.00 C ATOM 0 H ALA A 93 -2.152 1.765 -8.366 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.743 0.002 -10.163 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.683 -0.376 -8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.441 1.358 -8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.463 0.561 -7.187 1.00 0.00 H new