USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 116 HIS : no HD1:sc= -1.2 K(o=-2.8,f=-3.5!) USER MOD Set 1.2: A 129 GLN : amide:sc= -1.58 K(o=-2.8,f=-3.6!) USER MOD Set 2.1: A 60 GLN : amide:sc= -0.434 K(o=-2,f=-3.5) USER MOD Set 2.2: A 124 MET CE :methyl 131:sc= -1.6! (180deg=-2.67!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.78 K(o=-1.8,f=-4.5!) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0214 (180deg=-0.209) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.166) USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= -0.0286 (180deg=-0.226) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= -0.587 (180deg=-1.61!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 157:sc= -2.87 (180deg=-3.92!) USER MOD Single : A 94 HIS : no HD1:sc= -1.97 K(o=-2,f=-5.8!) USER MOD Single : A 95 LYS NZ :NH3+ 153:sc= -0.946 (180deg=-1.19) USER MOD Single : A 97 CYS SG : rot -87:sc= -3.71! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 6:sc= -0.306 USER MOD Single : A 103 CYS SG : rot -96:sc= -1.12 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -1.47 K(o=-1.5,f=-5.6!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.2) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.666 K(o=-0.67,f=-7.1!) USER MOD Single : A 131 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 156 N ILE A 54 2.006 10.508 -4.073 1.00 0.00 N ATOM 157 CA ILE A 54 3.165 9.704 -4.441 1.00 0.00 C ATOM 158 C ILE A 54 2.756 8.278 -4.791 1.00 0.00 C ATOM 159 O ILE A 54 2.109 7.593 -3.999 1.00 0.00 O ATOM 160 CB ILE A 54 4.206 9.664 -3.307 1.00 0.00 C ATOM 161 CG1 ILE A 54 4.928 11.009 -3.201 1.00 0.00 C ATOM 162 CG2 ILE A 54 5.202 8.539 -3.542 1.00 0.00 C ATOM 163 CD1 ILE A 54 6.072 11.004 -2.211 1.00 0.00 C ATOM 0 HA ILE A 54 3.611 10.177 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 54 3.690 9.475 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.310 11.286 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.210 11.776 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.931 8.524 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.674 7.586 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.716 8.700 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.538 11.989 -2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.693 10.758 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.810 10.261 -2.512 1.00 0.00 H new ATOM 175 N LYS A 55 3.139 7.834 -5.984 1.00 0.00 N ATOM 176 CA LYS A 55 2.816 6.487 -6.440 1.00 0.00 C ATOM 177 C LYS A 55 3.864 5.486 -5.965 1.00 0.00 C ATOM 178 O LYS A 55 4.892 5.293 -6.615 1.00 0.00 O ATOM 179 CB LYS A 55 2.718 6.453 -7.967 1.00 0.00 C ATOM 180 CG LYS A 55 2.174 5.144 -8.512 1.00 0.00 C ATOM 181 CD LYS A 55 2.659 4.886 -9.929 1.00 0.00 C ATOM 182 CE LYS A 55 2.138 5.938 -10.896 1.00 0.00 C ATOM 183 NZ LYS A 55 0.713 5.703 -11.257 1.00 0.00 N ATOM 0 H LYS A 55 3.674 8.388 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 55 1.852 6.207 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.078 7.270 -8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.707 6.630 -8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.483 4.323 -7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.084 5.168 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.749 4.882 -9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.331 3.898 -10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.241 6.926 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.747 5.934 -11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.396 6.441 -11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.618 4.771 -11.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.128 5.733 -10.398 1.00 0.00 H new ATOM 197 N LEU A 56 3.596 4.851 -4.829 1.00 0.00 N ATOM 198 CA LEU A 56 4.516 3.867 -4.268 1.00 0.00 C ATOM 199 C LEU A 56 4.465 2.562 -5.056 1.00 0.00 C ATOM 200 O LEU A 56 3.412 1.936 -5.173 1.00 0.00 O ATOM 201 CB LEU A 56 4.177 3.603 -2.800 1.00 0.00 C ATOM 202 CG LEU A 56 4.660 4.655 -1.800 1.00 0.00 C ATOM 203 CD1 LEU A 56 4.251 4.274 -0.385 1.00 0.00 C ATOM 204 CD2 LEU A 56 6.169 4.825 -1.892 1.00 0.00 C ATOM 0 H LEU A 56 2.750 5.000 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 56 5.526 4.271 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.095 3.513 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.602 2.640 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 56 4.191 5.607 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.603 5.034 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.165 4.203 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.692 3.311 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.495 5.577 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.656 3.876 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.438 5.144 -2.899 1.00 0.00 H new ATOM 216 N PHE A 57 5.611 2.157 -5.593 1.00 0.00 N ATOM 217 CA PHE A 57 5.698 0.925 -6.369 1.00 0.00 C ATOM 218 C PHE A 57 6.143 -0.241 -5.491 1.00 0.00 C ATOM 219 O PHE A 57 7.268 -0.261 -4.991 1.00 0.00 O ATOM 220 CB PHE A 57 6.672 1.100 -7.536 1.00 0.00 C ATOM 221 CG PHE A 57 6.837 -0.138 -8.370 1.00 0.00 C ATOM 222 CD1 PHE A 57 5.774 -0.644 -9.100 1.00 0.00 C ATOM 223 CD2 PHE A 57 8.055 -0.795 -8.425 1.00 0.00 C ATOM 224 CE1 PHE A 57 5.922 -1.783 -9.869 1.00 0.00 C ATOM 225 CE2 PHE A 57 8.210 -1.934 -9.192 1.00 0.00 C ATOM 226 CZ PHE A 57 7.142 -2.430 -9.914 1.00 0.00 C ATOM 0 H PHE A 57 6.492 2.663 -5.505 1.00 0.00 H new ATOM 0 HA PHE A 57 4.706 0.702 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.322 1.913 -8.172 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.645 1.397 -7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.818 -0.142 -9.068 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.893 -0.413 -7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.085 -2.167 -10.434 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.166 -2.436 -9.227 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.260 -3.321 -10.512 1.00 0.00 H new ATOM 236 N ILE A 58 5.252 -1.209 -5.308 1.00 0.00 N ATOM 237 CA ILE A 58 5.553 -2.379 -4.491 1.00 0.00 C ATOM 238 C ILE A 58 5.889 -3.585 -5.361 1.00 0.00 C ATOM 239 O ILE A 58 5.228 -3.842 -6.366 1.00 0.00 O ATOM 240 CB ILE A 58 4.374 -2.738 -3.567 1.00 0.00 C ATOM 241 CG1 ILE A 58 3.766 -1.471 -2.964 1.00 0.00 C ATOM 242 CG2 ILE A 58 4.832 -3.687 -2.470 1.00 0.00 C ATOM 243 CD1 ILE A 58 4.637 -0.826 -1.908 1.00 0.00 C ATOM 0 H ILE A 58 4.316 -1.207 -5.714 1.00 0.00 H new ATOM 0 HA ILE A 58 6.418 -2.123 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 58 3.608 -3.240 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.582 -0.751 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.798 -1.715 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.988 -3.932 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.223 -4.600 -2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.614 -3.210 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.143 0.067 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.800 -1.529 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.596 -0.550 -2.346 1.00 0.00 H new ATOM 255 N GLY A 59 6.921 -4.324 -4.965 1.00 0.00 N ATOM 256 CA GLY A 59 7.327 -5.496 -5.719 1.00 0.00 C ATOM 257 C GLY A 59 7.564 -6.702 -4.832 1.00 0.00 C ATOM 258 O GLY A 59 7.489 -6.604 -3.608 1.00 0.00 O ATOM 0 H GLY A 59 7.483 -4.132 -4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.559 -5.735 -6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.239 -5.271 -6.272 1.00 0.00 H new ATOM 262 N GLN A 60 7.850 -7.843 -5.451 1.00 0.00 N ATOM 263 CA GLN A 60 8.097 -9.073 -4.708 1.00 0.00 C ATOM 264 C GLN A 60 6.803 -9.620 -4.114 1.00 0.00 C ATOM 265 O GLN A 60 6.773 -10.054 -2.962 1.00 0.00 O ATOM 266 CB GLN A 60 9.119 -8.827 -3.597 1.00 0.00 C ATOM 267 CG GLN A 60 9.955 -10.050 -3.257 1.00 0.00 C ATOM 268 CD GLN A 60 10.740 -10.568 -4.446 1.00 0.00 C ATOM 269 OE1 GLN A 60 10.888 -9.879 -5.455 1.00 0.00 O ATOM 270 NE2 GLN A 60 11.250 -11.789 -4.332 1.00 0.00 N ATOM 0 H GLN A 60 7.916 -7.941 -6.464 1.00 0.00 H new ATOM 0 HA GLN A 60 8.497 -9.812 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.782 -8.016 -3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.596 -8.494 -2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.645 -9.801 -2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.302 -10.840 -2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.103 -12.325 -3.477 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.789 -12.190 -5.099 1.00 0.00 H new ATOM 279 N ILE A 61 5.737 -9.594 -4.907 1.00 0.00 N ATOM 280 CA ILE A 61 4.441 -10.088 -4.459 1.00 0.00 C ATOM 281 C ILE A 61 3.890 -11.137 -5.419 1.00 0.00 C ATOM 282 O ILE A 61 3.910 -10.969 -6.638 1.00 0.00 O ATOM 283 CB ILE A 61 3.419 -8.944 -4.325 1.00 0.00 C ATOM 284 CG1 ILE A 61 3.943 -7.871 -3.368 1.00 0.00 C ATOM 285 CG2 ILE A 61 2.080 -9.483 -3.842 1.00 0.00 C ATOM 286 CD1 ILE A 61 2.981 -6.722 -3.163 1.00 0.00 C ATOM 0 H ILE A 61 5.745 -9.236 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 61 4.597 -10.542 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 61 3.274 -8.490 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.159 -8.330 -2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.885 -7.481 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.368 -8.662 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.703 -10.214 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.209 -9.959 -2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.418 -6.000 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.784 -6.237 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.046 -7.100 -2.748 1.00 0.00 H new ATOM 298 N PRO A 62 3.385 -12.245 -4.858 1.00 0.00 N ATOM 299 CA PRO A 62 2.816 -13.343 -5.646 1.00 0.00 C ATOM 300 C PRO A 62 1.498 -12.959 -6.308 1.00 0.00 C ATOM 301 O PRO A 62 0.791 -12.068 -5.835 1.00 0.00 O ATOM 302 CB PRO A 62 2.592 -14.446 -4.608 1.00 0.00 C ATOM 303 CG PRO A 62 2.442 -13.723 -3.314 1.00 0.00 C ATOM 304 CD PRO A 62 3.329 -12.512 -3.411 1.00 0.00 C ATOM 0 HA PRO A 62 3.471 -13.637 -6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.703 -15.033 -4.839 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.433 -15.139 -4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.404 -13.434 -3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.736 -14.356 -2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.915 -11.666 -2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.320 -12.705 -2.999 1.00 0.00 H new ATOM 312 N ARG A 63 1.172 -13.636 -7.404 1.00 0.00 N ATOM 313 CA ARG A 63 -0.062 -13.365 -8.131 1.00 0.00 C ATOM 314 C ARG A 63 -1.223 -14.168 -7.552 1.00 0.00 C ATOM 315 O ARG A 63 -2.041 -14.716 -8.289 1.00 0.00 O ATOM 316 CB ARG A 63 0.111 -13.697 -9.614 1.00 0.00 C ATOM 317 CG ARG A 63 0.489 -15.146 -9.874 1.00 0.00 C ATOM 318 CD ARG A 63 0.470 -15.469 -11.360 1.00 0.00 C ATOM 319 NE ARG A 63 1.449 -14.681 -12.103 1.00 0.00 N ATOM 320 CZ ARG A 63 1.927 -15.035 -13.291 1.00 0.00 C ATOM 321 NH1 ARG A 63 1.518 -16.157 -13.867 1.00 0.00 N ATOM 322 NH2 ARG A 63 2.816 -14.265 -13.906 1.00 0.00 N ATOM 0 H ARG A 63 1.746 -14.376 -7.808 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.289 -12.304 -8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.818 -13.473 -10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.879 -13.049 -10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.483 -15.342 -9.471 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.204 -15.804 -9.349 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.675 -16.530 -11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.526 -15.280 -11.760 1.00 0.00 H new ATOM 0 HE ARG A 63 1.784 -13.812 -11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.834 -16.751 -13.398 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.887 -16.426 -14.779 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.133 -13.401 -13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.182 -14.538 -14.818 1.00 0.00 H new ATOM 336 N ASN A 64 -1.287 -14.233 -6.225 1.00 0.00 N ATOM 337 CA ASN A 64 -2.346 -14.970 -5.547 1.00 0.00 C ATOM 338 C ASN A 64 -3.051 -14.088 -4.520 1.00 0.00 C ATOM 339 O ASN A 64 -3.894 -14.559 -3.755 1.00 0.00 O ATOM 340 CB ASN A 64 -1.774 -16.212 -4.861 1.00 0.00 C ATOM 341 CG ASN A 64 -1.100 -15.885 -3.541 1.00 0.00 C ATOM 342 OD1 ASN A 64 0.125 -15.798 -3.462 1.00 0.00 O ATOM 343 ND2 ASN A 64 -1.901 -15.702 -2.498 1.00 0.00 N ATOM 0 H ASN A 64 -0.618 -13.784 -5.599 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.075 -15.280 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.576 -16.930 -4.688 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.054 -16.691 -5.525 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.506 -15.479 -1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.911 -15.784 -2.610 1.00 0.00 H new ATOM 350 N LEU A 65 -2.701 -12.807 -4.510 1.00 0.00 N ATOM 351 CA LEU A 65 -3.300 -11.857 -3.579 1.00 0.00 C ATOM 352 C LEU A 65 -4.389 -11.036 -4.263 1.00 0.00 C ATOM 353 O LEU A 65 -4.648 -11.201 -5.455 1.00 0.00 O ATOM 354 CB LEU A 65 -2.228 -10.928 -3.007 1.00 0.00 C ATOM 355 CG LEU A 65 -1.050 -11.610 -2.310 1.00 0.00 C ATOM 356 CD1 LEU A 65 -0.040 -10.578 -1.835 1.00 0.00 C ATOM 357 CD2 LEU A 65 -1.539 -12.458 -1.145 1.00 0.00 C ATOM 0 H LEU A 65 -2.005 -12.402 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.754 -12.422 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.838 -10.314 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.703 -10.252 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.557 -12.265 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.791 -11.082 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.334 -10.014 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.519 -9.896 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.688 -12.936 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.057 -11.824 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.223 -13.222 -1.513 1.00 0.00 H new ATOM 369 N ASP A 66 -5.021 -10.151 -3.501 1.00 0.00 N ATOM 370 CA ASP A 66 -6.080 -9.301 -4.034 1.00 0.00 C ATOM 371 C ASP A 66 -5.977 -7.887 -3.471 1.00 0.00 C ATOM 372 O ASP A 66 -5.432 -7.679 -2.387 1.00 0.00 O ATOM 373 CB ASP A 66 -7.451 -9.895 -3.710 1.00 0.00 C ATOM 374 CG ASP A 66 -7.519 -11.383 -3.990 1.00 0.00 C ATOM 375 OD1 ASP A 66 -6.886 -12.156 -3.241 1.00 0.00 O ATOM 376 OD2 ASP A 66 -8.204 -11.775 -4.958 1.00 0.00 O ATOM 0 H ASP A 66 -4.819 -10.003 -2.512 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.962 -9.250 -5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.683 -9.715 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.213 -9.383 -4.297 1.00 0.00 H new ATOM 381 N GLU A 67 -6.504 -6.919 -4.214 1.00 0.00 N ATOM 382 CA GLU A 67 -6.470 -5.525 -3.789 1.00 0.00 C ATOM 383 C GLU A 67 -7.171 -5.349 -2.445 1.00 0.00 C ATOM 384 O GLU A 67 -6.730 -4.570 -1.599 1.00 0.00 O ATOM 385 CB GLU A 67 -7.129 -4.631 -4.841 1.00 0.00 C ATOM 386 CG GLU A 67 -6.210 -4.271 -5.996 1.00 0.00 C ATOM 387 CD GLU A 67 -6.925 -3.510 -7.095 1.00 0.00 C ATOM 388 OE1 GLU A 67 -7.295 -2.340 -6.863 1.00 0.00 O ATOM 389 OE2 GLU A 67 -7.115 -4.085 -8.188 1.00 0.00 O ATOM 0 H GLU A 67 -6.960 -7.075 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.426 -5.232 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.011 -5.136 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.473 -3.714 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.382 -3.669 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.780 -5.183 -6.411 1.00 0.00 H new ATOM 396 N LYS A 68 -8.265 -6.078 -2.255 1.00 0.00 N ATOM 397 CA LYS A 68 -9.028 -6.005 -1.015 1.00 0.00 C ATOM 398 C LYS A 68 -8.286 -6.699 0.122 1.00 0.00 C ATOM 399 O LYS A 68 -8.664 -6.578 1.288 1.00 0.00 O ATOM 400 CB LYS A 68 -10.407 -6.642 -1.202 1.00 0.00 C ATOM 401 CG LYS A 68 -11.209 -6.033 -2.339 1.00 0.00 C ATOM 402 CD LYS A 68 -12.644 -6.533 -2.340 1.00 0.00 C ATOM 403 CE LYS A 68 -12.738 -7.957 -2.865 1.00 0.00 C ATOM 404 NZ LYS A 68 -12.463 -8.028 -4.327 1.00 0.00 N ATOM 0 H LYS A 68 -8.644 -6.727 -2.945 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.152 -4.954 -0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.283 -7.709 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.973 -6.543 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.201 -4.947 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.737 -6.278 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.046 -6.490 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.259 -5.876 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.028 -8.589 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.733 -8.354 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.810 -8.934 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.948 -7.245 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.439 -7.954 -4.492 1.00 0.00 H new ATOM 418 N ASP A 69 -7.229 -7.425 -0.223 1.00 0.00 N ATOM 419 CA ASP A 69 -6.432 -8.136 0.769 1.00 0.00 C ATOM 420 C ASP A 69 -5.139 -7.384 1.069 1.00 0.00 C ATOM 421 O ASP A 69 -4.512 -7.594 2.109 1.00 0.00 O ATOM 422 CB ASP A 69 -6.112 -9.549 0.280 1.00 0.00 C ATOM 423 CG ASP A 69 -7.184 -10.551 0.662 1.00 0.00 C ATOM 424 OD1 ASP A 69 -8.363 -10.150 0.760 1.00 0.00 O ATOM 425 OD2 ASP A 69 -6.844 -11.736 0.863 1.00 0.00 O ATOM 0 H ASP A 69 -6.904 -7.537 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.015 -8.201 1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.999 -9.538 -0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.156 -9.867 0.697 1.00 0.00 H new ATOM 430 N LEU A 70 -4.745 -6.507 0.152 1.00 0.00 N ATOM 431 CA LEU A 70 -3.525 -5.723 0.318 1.00 0.00 C ATOM 432 C LEU A 70 -3.847 -4.310 0.793 1.00 0.00 C ATOM 433 O LEU A 70 -3.123 -3.738 1.609 1.00 0.00 O ATOM 434 CB LEU A 70 -2.750 -5.666 -0.999 1.00 0.00 C ATOM 435 CG LEU A 70 -1.898 -6.892 -1.330 1.00 0.00 C ATOM 436 CD1 LEU A 70 -1.386 -6.816 -2.760 1.00 0.00 C ATOM 437 CD2 LEU A 70 -0.739 -7.017 -0.352 1.00 0.00 C ATOM 0 H LEU A 70 -5.252 -6.321 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.909 -6.209 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.462 -5.514 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.100 -4.792 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.523 -7.780 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.782 -7.697 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.231 -6.777 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.778 -5.920 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.144 -7.895 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.114 -6.126 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.127 -7.120 0.661 1.00 0.00 H new ATOM 449 N LYS A 71 -4.938 -3.752 0.280 1.00 0.00 N ATOM 450 CA LYS A 71 -5.359 -2.407 0.654 1.00 0.00 C ATOM 451 C LYS A 71 -5.519 -2.288 2.166 1.00 0.00 C ATOM 452 O LYS A 71 -5.101 -1.308 2.783 1.00 0.00 O ATOM 453 CB LYS A 71 -6.676 -2.052 -0.039 1.00 0.00 C ATOM 454 CG LYS A 71 -6.929 -0.557 -0.136 1.00 0.00 C ATOM 455 CD LYS A 71 -7.493 -0.002 1.161 1.00 0.00 C ATOM 456 CE LYS A 71 -8.987 -0.263 1.276 1.00 0.00 C ATOM 457 NZ LYS A 71 -9.420 -0.388 2.696 1.00 0.00 N ATOM 0 H LYS A 71 -5.548 -4.211 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.587 -1.708 0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.675 -2.478 -1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.499 -2.517 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.998 -0.044 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.624 -0.357 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.977 -0.456 2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.305 1.070 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.535 0.549 0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.239 -1.177 0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.370 -0.810 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.751 -0.995 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.442 0.554 3.136 1.00 0.00 H new ATOM 471 N PRO A 72 -6.138 -3.308 2.778 1.00 0.00 N ATOM 472 CA PRO A 72 -6.366 -3.341 4.226 1.00 0.00 C ATOM 473 C PRO A 72 -5.111 -2.994 5.019 1.00 0.00 C ATOM 474 O PRO A 72 -5.074 -1.994 5.737 1.00 0.00 O ATOM 475 CB PRO A 72 -6.779 -4.792 4.487 1.00 0.00 C ATOM 476 CG PRO A 72 -7.361 -5.258 3.197 1.00 0.00 C ATOM 477 CD PRO A 72 -6.663 -4.508 2.105 1.00 0.00 C ATOM 0 HA PRO A 72 -7.110 -2.608 4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.923 -5.401 4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.507 -4.857 5.296 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.222 -6.332 3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.434 -5.071 3.168 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.862 -5.100 1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.348 -4.246 1.299 1.00 0.00 H new ATOM 485 N LEU A 73 -4.083 -3.825 4.884 1.00 0.00 N ATOM 486 CA LEU A 73 -2.824 -3.605 5.587 1.00 0.00 C ATOM 487 C LEU A 73 -2.412 -2.138 5.521 1.00 0.00 C ATOM 488 O LEU A 73 -2.424 -1.433 6.530 1.00 0.00 O ATOM 489 CB LEU A 73 -1.723 -4.483 4.990 1.00 0.00 C ATOM 490 CG LEU A 73 -1.876 -5.989 5.203 1.00 0.00 C ATOM 491 CD1 LEU A 73 -0.969 -6.758 4.255 1.00 0.00 C ATOM 492 CD2 LEU A 73 -1.573 -6.357 6.649 1.00 0.00 C ATOM 0 H LEU A 73 -4.097 -4.657 4.294 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.969 -3.876 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.674 -4.291 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.768 -4.172 5.413 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.909 -6.263 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.092 -7.828 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.233 -6.519 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.069 -6.479 4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.687 -7.433 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.550 -6.068 6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.264 -5.834 7.310 1.00 0.00 H new ATOM 504 N PHE A 74 -2.049 -1.684 4.326 1.00 0.00 N ATOM 505 CA PHE A 74 -1.635 -0.300 4.128 1.00 0.00 C ATOM 506 C PHE A 74 -2.644 0.664 4.745 1.00 0.00 C ATOM 507 O PHE A 74 -2.268 1.646 5.384 1.00 0.00 O ATOM 508 CB PHE A 74 -1.476 -0.002 2.635 1.00 0.00 C ATOM 509 CG PHE A 74 -0.336 -0.741 1.995 1.00 0.00 C ATOM 510 CD1 PHE A 74 0.976 -0.369 2.245 1.00 0.00 C ATOM 511 CD2 PHE A 74 -0.575 -1.806 1.142 1.00 0.00 C ATOM 512 CE1 PHE A 74 2.027 -1.047 1.658 1.00 0.00 C ATOM 513 CE2 PHE A 74 0.472 -2.488 0.552 1.00 0.00 C ATOM 514 CZ PHE A 74 1.775 -2.107 0.809 1.00 0.00 C ATOM 0 H PHE A 74 -2.033 -2.254 3.480 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.675 -0.160 4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.401 -0.261 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.326 1.069 2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.179 0.460 2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.592 -2.107 0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.045 -0.748 1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.272 -3.318 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.595 -2.637 0.347 1.00 0.00 H new ATOM 524 N GLU A 75 -3.927 0.375 4.549 1.00 0.00 N ATOM 525 CA GLU A 75 -4.990 1.217 5.085 1.00 0.00 C ATOM 526 C GLU A 75 -4.777 1.479 6.574 1.00 0.00 C ATOM 527 O GLU A 75 -5.039 2.577 7.064 1.00 0.00 O ATOM 528 CB GLU A 75 -6.353 0.559 4.862 1.00 0.00 C ATOM 529 CG GLU A 75 -7.519 1.529 4.954 1.00 0.00 C ATOM 530 CD GLU A 75 -7.404 2.468 6.139 1.00 0.00 C ATOM 531 OE1 GLU A 75 -7.410 1.978 7.288 1.00 0.00 O ATOM 532 OE2 GLU A 75 -7.308 3.693 5.917 1.00 0.00 O ATOM 0 H GLU A 75 -4.255 -0.435 4.023 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.964 2.171 4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.362 0.085 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.490 -0.232 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.574 2.114 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.450 0.967 5.030 1.00 0.00 H new ATOM 539 N GLU A 76 -4.300 0.463 7.286 1.00 0.00 N ATOM 540 CA GLU A 76 -4.054 0.583 8.718 1.00 0.00 C ATOM 541 C GLU A 76 -2.960 1.610 8.997 1.00 0.00 C ATOM 542 O GLU A 76 -2.911 2.204 10.074 1.00 0.00 O ATOM 543 CB GLU A 76 -3.658 -0.773 9.306 1.00 0.00 C ATOM 544 CG GLU A 76 -4.825 -1.734 9.457 1.00 0.00 C ATOM 545 CD GLU A 76 -4.380 -3.140 9.813 1.00 0.00 C ATOM 546 OE1 GLU A 76 -3.897 -3.855 8.910 1.00 0.00 O ATOM 547 OE2 GLU A 76 -4.514 -3.524 10.993 1.00 0.00 O ATOM 0 H GLU A 76 -4.076 -0.452 6.895 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.976 0.921 9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.902 -1.230 8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.198 -0.616 10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.499 -1.363 10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.392 -1.761 8.526 1.00 0.00 H new ATOM 554 N PHE A 77 -2.084 1.813 8.019 1.00 0.00 N ATOM 555 CA PHE A 77 -0.989 2.766 8.159 1.00 0.00 C ATOM 556 C PHE A 77 -1.396 4.142 7.639 1.00 0.00 C ATOM 557 O PHE A 77 -1.129 5.161 8.273 1.00 0.00 O ATOM 558 CB PHE A 77 0.247 2.269 7.407 1.00 0.00 C ATOM 559 CG PHE A 77 1.002 1.195 8.137 1.00 0.00 C ATOM 560 CD1 PHE A 77 1.960 1.523 9.082 1.00 0.00 C ATOM 561 CD2 PHE A 77 0.753 -0.143 7.877 1.00 0.00 C ATOM 562 CE1 PHE A 77 2.656 0.537 9.756 1.00 0.00 C ATOM 563 CE2 PHE A 77 1.445 -1.133 8.547 1.00 0.00 C ATOM 564 CZ PHE A 77 2.399 -0.793 9.487 1.00 0.00 C ATOM 0 H PHE A 77 -2.111 1.330 7.121 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.750 2.854 9.219 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.059 1.888 6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.914 3.111 7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.166 2.562 9.295 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.010 -0.415 7.142 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.399 0.806 10.492 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.241 -2.172 8.336 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.943 -1.566 10.010 1.00 0.00 H new ATOM 574 N GLY A 78 -2.044 4.161 6.478 1.00 0.00 N ATOM 575 CA GLY A 78 -2.477 5.416 5.891 1.00 0.00 C ATOM 576 C GLY A 78 -3.840 5.310 5.236 1.00 0.00 C ATOM 577 O GLY A 78 -4.299 4.214 4.914 1.00 0.00 O ATOM 0 H GLY A 78 -2.277 3.330 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.508 6.184 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.745 5.739 5.150 1.00 0.00 H new ATOM 581 N LYS A 79 -4.490 6.452 5.039 1.00 0.00 N ATOM 582 CA LYS A 79 -5.809 6.484 4.418 1.00 0.00 C ATOM 583 C LYS A 79 -5.699 6.384 2.900 1.00 0.00 C ATOM 584 O LYS A 79 -5.885 7.371 2.189 1.00 0.00 O ATOM 585 CB LYS A 79 -6.545 7.770 4.803 1.00 0.00 C ATOM 586 CG LYS A 79 -7.316 7.662 6.107 1.00 0.00 C ATOM 587 CD LYS A 79 -7.953 8.988 6.489 1.00 0.00 C ATOM 588 CE LYS A 79 -8.209 9.072 7.986 1.00 0.00 C ATOM 589 NZ LYS A 79 -6.943 9.207 8.759 1.00 0.00 N ATOM 0 H LYS A 79 -4.125 7.368 5.300 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.375 5.626 4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.822 8.582 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.236 8.037 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.089 6.900 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.645 7.337 6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.302 9.807 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.893 9.110 5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.856 9.924 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.741 8.179 8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.151 9.594 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.496 8.273 8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.296 9.849 8.257 1.00 0.00 H new ATOM 603 N ILE A 80 -5.397 5.186 2.411 1.00 0.00 N ATOM 604 CA ILE A 80 -5.265 4.957 0.978 1.00 0.00 C ATOM 605 C ILE A 80 -6.387 5.643 0.206 1.00 0.00 C ATOM 606 O ILE A 80 -7.542 5.636 0.632 1.00 0.00 O ATOM 607 CB ILE A 80 -5.272 3.454 0.645 1.00 0.00 C ATOM 608 CG1 ILE A 80 -4.128 2.743 1.369 1.00 0.00 C ATOM 609 CG2 ILE A 80 -5.166 3.244 -0.858 1.00 0.00 C ATOM 610 CD1 ILE A 80 -4.272 1.237 1.396 1.00 0.00 C ATOM 0 H ILE A 80 -5.239 4.359 2.987 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.308 5.383 0.677 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.214 3.026 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.186 3.001 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.071 3.113 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.172 2.176 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.012 3.721 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.238 3.684 -1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.425 0.800 1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.197 0.969 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.298 0.856 0.375 1.00 0.00 H new ATOM 622 N TYR A 81 -6.040 6.234 -0.932 1.00 0.00 N ATOM 623 CA TYR A 81 -7.018 6.925 -1.763 1.00 0.00 C ATOM 624 C TYR A 81 -7.407 6.074 -2.968 1.00 0.00 C ATOM 625 O TYR A 81 -8.569 6.045 -3.371 1.00 0.00 O ATOM 626 CB TYR A 81 -6.459 8.269 -2.233 1.00 0.00 C ATOM 627 CG TYR A 81 -7.282 8.919 -3.323 1.00 0.00 C ATOM 628 CD1 TYR A 81 -8.378 9.715 -3.012 1.00 0.00 C ATOM 629 CD2 TYR A 81 -6.963 8.737 -4.663 1.00 0.00 C ATOM 630 CE1 TYR A 81 -9.133 10.310 -4.004 1.00 0.00 C ATOM 631 CE2 TYR A 81 -7.712 9.330 -5.662 1.00 0.00 C ATOM 632 CZ TYR A 81 -8.795 10.115 -5.327 1.00 0.00 C ATOM 633 OH TYR A 81 -9.544 10.706 -6.319 1.00 0.00 O ATOM 0 H TYR A 81 -5.089 6.248 -1.300 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.910 7.100 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -6.400 8.946 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -5.441 8.123 -2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.644 9.871 -1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.116 8.122 -4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -9.983 10.924 -3.745 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.450 9.179 -6.699 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.172 10.469 -7.194 1.00 0.00 H new ATOM 643 N GLU A 82 -6.424 5.383 -3.538 1.00 0.00 N ATOM 644 CA GLU A 82 -6.664 4.531 -4.697 1.00 0.00 C ATOM 645 C GLU A 82 -5.587 3.456 -4.813 1.00 0.00 C ATOM 646 O GLU A 82 -4.396 3.735 -4.670 1.00 0.00 O ATOM 647 CB GLU A 82 -6.701 5.371 -5.976 1.00 0.00 C ATOM 648 CG GLU A 82 -7.525 4.746 -7.090 1.00 0.00 C ATOM 649 CD GLU A 82 -8.980 5.171 -7.048 1.00 0.00 C ATOM 650 OE1 GLU A 82 -9.246 6.338 -6.691 1.00 0.00 O ATOM 651 OE2 GLU A 82 -9.852 4.338 -7.371 1.00 0.00 O ATOM 0 H GLU A 82 -5.456 5.397 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.629 4.042 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.107 6.355 -5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.682 5.523 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.097 5.024 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.465 3.660 -7.016 1.00 0.00 H new ATOM 658 N LEU A 83 -6.015 2.225 -5.073 1.00 0.00 N ATOM 659 CA LEU A 83 -5.089 1.106 -5.208 1.00 0.00 C ATOM 660 C LEU A 83 -5.301 0.380 -6.533 1.00 0.00 C ATOM 661 O LEU A 83 -6.435 0.105 -6.928 1.00 0.00 O ATOM 662 CB LEU A 83 -5.264 0.129 -4.044 1.00 0.00 C ATOM 663 CG LEU A 83 -4.383 -1.120 -4.077 1.00 0.00 C ATOM 664 CD1 LEU A 83 -2.944 -0.766 -3.734 1.00 0.00 C ATOM 665 CD2 LEU A 83 -4.917 -2.175 -3.120 1.00 0.00 C ATOM 0 H LEU A 83 -6.997 1.977 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.074 1.503 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.067 0.664 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.307 -0.187 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.405 -1.530 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.331 -1.667 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.564 -0.046 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.904 -0.331 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.277 -3.057 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.926 -1.775 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.931 -2.450 -3.410 1.00 0.00 H new ATOM 677 N THR A 84 -4.203 0.069 -7.215 1.00 0.00 N ATOM 678 CA THR A 84 -4.269 -0.626 -8.494 1.00 0.00 C ATOM 679 C THR A 84 -3.140 -1.641 -8.627 1.00 0.00 C ATOM 680 O THR A 84 -1.969 -1.310 -8.443 1.00 0.00 O ATOM 681 CB THR A 84 -4.198 0.362 -9.674 1.00 0.00 C ATOM 682 OG1 THR A 84 -5.383 1.164 -9.715 1.00 0.00 O ATOM 683 CG2 THR A 84 -4.037 -0.381 -10.992 1.00 0.00 C ATOM 0 H THR A 84 -3.257 0.288 -6.902 1.00 0.00 H new ATOM 0 HA THR A 84 -5.226 -1.146 -8.522 1.00 0.00 H new ATOM 0 HB THR A 84 -3.330 1.005 -9.528 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.328 1.790 -10.467 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.989 0.337 -11.811 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.118 -0.967 -10.969 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.888 -1.046 -11.141 1.00 0.00 H new ATOM 691 N VAL A 85 -3.499 -2.880 -8.948 1.00 0.00 N ATOM 692 CA VAL A 85 -2.515 -3.944 -9.108 1.00 0.00 C ATOM 693 C VAL A 85 -2.155 -4.145 -10.575 1.00 0.00 C ATOM 694 O VAL A 85 -2.963 -4.642 -11.362 1.00 0.00 O ATOM 695 CB VAL A 85 -3.030 -5.276 -8.530 1.00 0.00 C ATOM 696 CG1 VAL A 85 -1.981 -6.366 -8.685 1.00 0.00 C ATOM 697 CG2 VAL A 85 -3.422 -5.106 -7.070 1.00 0.00 C ATOM 0 H VAL A 85 -4.464 -3.172 -9.102 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.625 -3.637 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.917 -5.576 -9.088 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.362 -7.299 -8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.753 -6.504 -9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.075 -6.077 -8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.784 -6.056 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.554 -4.783 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.210 -4.357 -6.990 1.00 0.00 H new ATOM 707 N LEU A 86 -0.938 -3.756 -10.939 1.00 0.00 N ATOM 708 CA LEU A 86 -0.470 -3.893 -12.314 1.00 0.00 C ATOM 709 C LEU A 86 -0.724 -5.303 -12.837 1.00 0.00 C ATOM 710 O LEU A 86 -0.011 -6.245 -12.489 1.00 0.00 O ATOM 711 CB LEU A 86 1.022 -3.566 -12.401 1.00 0.00 C ATOM 712 CG LEU A 86 1.414 -2.128 -12.062 1.00 0.00 C ATOM 713 CD1 LEU A 86 2.907 -2.032 -11.789 1.00 0.00 C ATOM 714 CD2 LEU A 86 1.015 -1.186 -13.188 1.00 0.00 C ATOM 0 H LEU A 86 -0.257 -3.343 -10.301 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.027 -3.189 -12.933 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.560 -4.236 -11.730 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.363 -3.786 -13.413 1.00 0.00 H new ATOM 0 HG LEU A 86 0.880 -1.830 -11.160 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.168 -1.001 -11.549 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.165 -2.676 -10.949 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.460 -2.350 -12.673 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.302 -0.167 -12.929 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.521 -1.483 -14.107 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.064 -1.232 -13.336 1.00 0.00 H new ATOM 726 N LYS A 87 -1.744 -5.442 -13.678 1.00 0.00 N ATOM 727 CA LYS A 87 -2.092 -6.736 -14.253 1.00 0.00 C ATOM 728 C LYS A 87 -2.393 -6.605 -15.743 1.00 0.00 C ATOM 729 O LYS A 87 -3.453 -6.112 -16.130 1.00 0.00 O ATOM 730 CB LYS A 87 -3.300 -7.332 -13.527 1.00 0.00 C ATOM 731 CG LYS A 87 -2.983 -7.833 -12.129 1.00 0.00 C ATOM 732 CD LYS A 87 -4.072 -8.757 -11.608 1.00 0.00 C ATOM 733 CE LYS A 87 -4.176 -8.696 -10.092 1.00 0.00 C ATOM 734 NZ LYS A 87 -5.137 -7.652 -9.644 1.00 0.00 N ATOM 0 H LYS A 87 -2.344 -4.673 -13.977 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.238 -7.402 -14.130 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.084 -6.578 -13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.698 -8.157 -14.118 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.030 -8.361 -12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.871 -6.985 -11.454 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.029 -8.480 -12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.862 -9.780 -11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.491 -9.667 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.193 -8.490 -9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.900 -7.354 -8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.082 -6.833 -10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.102 -8.039 -9.660 1.00 0.00 H new ATOM 748 N ASP A 88 -1.457 -7.051 -16.572 1.00 0.00 N ATOM 749 CA ASP A 88 -1.624 -6.987 -18.020 1.00 0.00 C ATOM 750 C ASP A 88 -2.797 -7.851 -18.470 1.00 0.00 C ATOM 751 O ASP A 88 -3.336 -8.638 -17.692 1.00 0.00 O ATOM 752 CB ASP A 88 -0.342 -7.438 -18.723 1.00 0.00 C ATOM 753 CG ASP A 88 -0.154 -6.767 -20.069 1.00 0.00 C ATOM 754 OD1 ASP A 88 -0.095 -5.520 -20.109 1.00 0.00 O ATOM 755 OD2 ASP A 88 -0.065 -7.489 -21.084 1.00 0.00 O ATOM 0 H ASP A 88 -0.574 -7.461 -16.267 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.833 -5.952 -18.292 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.515 -7.217 -18.087 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.367 -8.519 -18.859 1.00 0.00 H new ATOM 760 N ARG A 89 -3.189 -7.697 -19.731 1.00 0.00 N ATOM 761 CA ARG A 89 -4.300 -8.461 -20.284 1.00 0.00 C ATOM 762 C ARG A 89 -3.831 -9.347 -21.435 1.00 0.00 C ATOM 763 O ARG A 89 -4.621 -10.080 -22.030 1.00 0.00 O ATOM 764 CB ARG A 89 -5.404 -7.519 -20.769 1.00 0.00 C ATOM 765 CG ARG A 89 -4.947 -6.550 -21.847 1.00 0.00 C ATOM 766 CD ARG A 89 -6.109 -5.732 -22.390 1.00 0.00 C ATOM 767 NE ARG A 89 -6.766 -4.954 -21.343 1.00 0.00 N ATOM 768 CZ ARG A 89 -7.527 -3.892 -21.585 1.00 0.00 C ATOM 769 NH1 ARG A 89 -7.724 -3.484 -22.831 1.00 0.00 N ATOM 770 NH2 ARG A 89 -8.091 -3.236 -20.580 1.00 0.00 N ATOM 0 H ARG A 89 -2.753 -7.050 -20.388 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.697 -9.099 -19.495 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.233 -8.112 -21.154 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.785 -6.952 -19.920 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.189 -5.881 -21.439 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.479 -7.104 -22.661 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.747 -5.060 -23.168 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.835 -6.398 -22.856 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.633 -5.242 -20.373 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.291 -3.986 -23.606 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.309 -2.668 -23.014 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -7.941 -3.547 -19.620 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.675 -2.421 -20.767 1.00 0.00 H new ATOM 784 N PHE A 90 -2.541 -9.273 -21.743 1.00 0.00 N ATOM 785 CA PHE A 90 -1.967 -10.067 -22.824 1.00 0.00 C ATOM 786 C PHE A 90 -1.133 -11.218 -22.269 1.00 0.00 C ATOM 787 O PHE A 90 -1.528 -12.382 -22.348 1.00 0.00 O ATOM 788 CB PHE A 90 -1.102 -9.186 -23.728 1.00 0.00 C ATOM 789 CG PHE A 90 -1.874 -8.523 -24.833 1.00 0.00 C ATOM 790 CD1 PHE A 90 -2.253 -9.238 -25.958 1.00 0.00 C ATOM 791 CD2 PHE A 90 -2.219 -7.184 -24.747 1.00 0.00 C ATOM 792 CE1 PHE A 90 -2.963 -8.630 -26.976 1.00 0.00 C ATOM 793 CE2 PHE A 90 -2.930 -6.571 -25.762 1.00 0.00 C ATOM 794 CZ PHE A 90 -3.301 -7.294 -26.878 1.00 0.00 C ATOM 0 H PHE A 90 -1.873 -8.672 -21.260 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.786 -10.484 -23.410 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.620 -8.419 -23.121 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.309 -9.794 -24.163 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.991 -10.282 -26.040 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.929 -6.613 -23.877 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.253 -9.199 -27.847 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.195 -5.527 -25.682 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.854 -6.816 -27.673 1.00 0.00 H new ATOM 804 N THR A 91 0.025 -10.885 -21.706 1.00 0.00 N ATOM 805 CA THR A 91 0.916 -11.890 -21.139 1.00 0.00 C ATOM 806 C THR A 91 1.292 -11.543 -19.703 1.00 0.00 C ATOM 807 O THR A 91 1.505 -12.429 -18.876 1.00 0.00 O ATOM 808 CB THR A 91 2.202 -12.035 -21.974 1.00 0.00 C ATOM 809 OG1 THR A 91 3.069 -13.004 -21.374 1.00 0.00 O ATOM 810 CG2 THR A 91 2.926 -10.702 -22.089 1.00 0.00 C ATOM 0 H THR A 91 0.367 -9.927 -21.631 1.00 0.00 H new ATOM 0 HA THR A 91 0.375 -12.836 -21.152 1.00 0.00 H new ATOM 0 HB THR A 91 1.924 -12.367 -22.974 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.884 -13.091 -21.912 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.831 -10.830 -22.683 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.274 -9.974 -22.573 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.192 -10.346 -21.094 1.00 0.00 H new ATOM 818 N GLY A 92 1.372 -10.248 -19.413 1.00 0.00 N ATOM 819 CA GLY A 92 1.723 -9.808 -18.075 1.00 0.00 C ATOM 820 C GLY A 92 0.536 -9.820 -17.132 1.00 0.00 C ATOM 821 O GLY A 92 0.382 -8.921 -16.306 1.00 0.00 O ATOM 0 H GLY A 92 1.200 -9.496 -20.080 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.506 -10.453 -17.677 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.135 -8.800 -18.123 1.00 0.00 H new ATOM 825 N MET A 93 -0.304 -10.842 -17.254 1.00 0.00 N ATOM 826 CA MET A 93 -1.483 -10.968 -16.405 1.00 0.00 C ATOM 827 C MET A 93 -1.207 -10.421 -15.008 1.00 0.00 C ATOM 828 O MET A 93 -2.079 -9.814 -14.385 1.00 0.00 O ATOM 829 CB MET A 93 -1.921 -12.431 -16.316 1.00 0.00 C ATOM 830 CG MET A 93 -3.298 -12.617 -15.701 1.00 0.00 C ATOM 831 SD MET A 93 -3.319 -12.283 -13.929 1.00 0.00 S ATOM 832 CE MET A 93 -4.691 -11.136 -13.817 1.00 0.00 C ATOM 0 H MET A 93 -0.190 -11.595 -17.932 1.00 0.00 H new ATOM 0 HA MET A 93 -2.287 -10.383 -16.853 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.917 -12.864 -17.316 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.191 -12.985 -15.726 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.007 -11.956 -16.200 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.636 -13.638 -15.878 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.094 -11.148 -12.804 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.345 -10.131 -14.058 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.470 -11.430 -14.521 1.00 0.00 H new ATOM 842 N HIS A 94 0.010 -10.641 -14.521 1.00 0.00 N ATOM 843 CA HIS A 94 0.400 -10.170 -13.197 1.00 0.00 C ATOM 844 C HIS A 94 1.900 -9.896 -13.138 1.00 0.00 C ATOM 845 O HIS A 94 2.713 -10.820 -13.183 1.00 0.00 O ATOM 846 CB HIS A 94 0.015 -11.198 -12.133 1.00 0.00 C ATOM 847 CG HIS A 94 -0.025 -10.637 -10.745 1.00 0.00 C ATOM 848 ND1 HIS A 94 1.103 -10.461 -9.971 1.00 0.00 N ATOM 849 CD2 HIS A 94 -1.065 -10.209 -9.992 1.00 0.00 C ATOM 850 CE1 HIS A 94 0.758 -9.951 -8.802 1.00 0.00 C ATOM 851 NE2 HIS A 94 -0.553 -9.789 -8.789 1.00 0.00 N ATOM 0 H HIS A 94 0.743 -11.142 -15.023 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.130 -9.238 -12.999 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.963 -11.612 -12.377 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.727 -12.023 -12.162 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.105 -10.200 -10.283 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.433 -9.708 -7.995 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.096 -9.413 -8.012 1.00 0.00 H new ATOM 859 N LYS A 95 2.260 -8.621 -13.037 1.00 0.00 N ATOM 860 CA LYS A 95 3.662 -8.225 -12.971 1.00 0.00 C ATOM 861 C LYS A 95 4.193 -8.337 -11.545 1.00 0.00 C ATOM 862 O LYS A 95 5.011 -7.527 -11.112 1.00 0.00 O ATOM 863 CB LYS A 95 3.832 -6.791 -13.479 1.00 0.00 C ATOM 864 CG LYS A 95 3.368 -6.595 -14.912 1.00 0.00 C ATOM 865 CD LYS A 95 2.934 -5.161 -15.165 1.00 0.00 C ATOM 866 CE LYS A 95 3.065 -4.790 -16.635 1.00 0.00 C ATOM 867 NZ LYS A 95 2.032 -5.463 -17.470 1.00 0.00 N ATOM 0 H LYS A 95 1.600 -7.844 -12.999 1.00 0.00 H new ATOM 0 HA LYS A 95 4.235 -8.900 -13.607 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.275 -6.116 -12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.883 -6.510 -13.404 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.175 -6.858 -15.596 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.538 -7.270 -15.123 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.900 -5.031 -14.847 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.540 -4.485 -14.562 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.975 -3.709 -16.746 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.057 -5.066 -16.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.840 -4.888 -18.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.377 -6.400 -17.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.157 -5.571 -16.919 1.00 0.00 H new ATOM 881 N GLY A 96 3.722 -9.347 -10.821 1.00 0.00 N ATOM 882 CA GLY A 96 4.161 -9.547 -9.452 1.00 0.00 C ATOM 883 C GLY A 96 4.434 -8.240 -8.734 1.00 0.00 C ATOM 884 O GLY A 96 5.446 -8.101 -8.046 1.00 0.00 O ATOM 0 H GLY A 96 3.044 -10.031 -11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.399 -10.105 -8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.065 -10.156 -9.449 1.00 0.00 H new ATOM 888 N CYS A 97 3.530 -7.279 -8.895 1.00 0.00 N ATOM 889 CA CYS A 97 3.679 -5.976 -8.258 1.00 0.00 C ATOM 890 C CYS A 97 2.347 -5.235 -8.217 1.00 0.00 C ATOM 891 O CYS A 97 1.357 -5.685 -8.794 1.00 0.00 O ATOM 892 CB CYS A 97 4.720 -5.137 -9.003 1.00 0.00 C ATOM 893 SG CYS A 97 4.313 -4.825 -10.737 1.00 0.00 S ATOM 0 H CYS A 97 2.687 -7.378 -9.461 1.00 0.00 H new ATOM 0 HA CYS A 97 4.017 -6.136 -7.234 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.835 -4.182 -8.491 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.683 -5.644 -8.953 1.00 0.00 H new ATOM 0 HG CYS A 97 4.750 -5.807 -11.469 1.00 0.00 H new ATOM 899 N ALA A 98 2.329 -4.098 -7.530 1.00 0.00 N ATOM 900 CA ALA A 98 1.118 -3.295 -7.413 1.00 0.00 C ATOM 901 C ALA A 98 1.451 -1.842 -7.094 1.00 0.00 C ATOM 902 O ALA A 98 2.486 -1.549 -6.494 1.00 0.00 O ATOM 903 CB ALA A 98 0.201 -3.874 -6.346 1.00 0.00 C ATOM 0 H ALA A 98 3.139 -3.712 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 98 0.602 -3.320 -8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.699 -3.264 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.073 -4.894 -6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.718 -3.880 -5.386 1.00 0.00 H new ATOM 909 N PHE A 99 0.570 -0.934 -7.500 1.00 0.00 N ATOM 910 CA PHE A 99 0.772 0.490 -7.259 1.00 0.00 C ATOM 911 C PHE A 99 -0.114 0.979 -6.117 1.00 0.00 C ATOM 912 O PHE A 99 -1.298 0.648 -6.048 1.00 0.00 O ATOM 913 CB PHE A 99 0.475 1.291 -8.529 1.00 0.00 C ATOM 914 CG PHE A 99 1.676 1.485 -9.410 1.00 0.00 C ATOM 915 CD1 PHE A 99 2.840 2.040 -8.904 1.00 0.00 C ATOM 916 CD2 PHE A 99 1.640 1.112 -10.744 1.00 0.00 C ATOM 917 CE1 PHE A 99 3.947 2.219 -9.712 1.00 0.00 C ATOM 918 CE2 PHE A 99 2.744 1.288 -11.556 1.00 0.00 C ATOM 919 CZ PHE A 99 3.899 1.844 -11.040 1.00 0.00 C ATOM 0 H PHE A 99 -0.291 -1.159 -7.998 1.00 0.00 H new ATOM 0 HA PHE A 99 1.814 0.641 -6.978 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.304 0.781 -9.097 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.078 2.267 -8.249 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.883 2.336 -7.866 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.739 0.679 -11.153 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.849 2.652 -9.305 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.704 0.991 -12.594 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.762 1.985 -11.674 1.00 0.00 H new ATOM 929 N LEU A 100 0.469 1.769 -5.222 1.00 0.00 N ATOM 930 CA LEU A 100 -0.266 2.304 -4.081 1.00 0.00 C ATOM 931 C LEU A 100 -0.128 3.822 -4.008 1.00 0.00 C ATOM 932 O LEU A 100 0.942 4.373 -4.268 1.00 0.00 O ATOM 933 CB LEU A 100 0.238 1.672 -2.782 1.00 0.00 C ATOM 934 CG LEU A 100 -0.461 2.125 -1.500 1.00 0.00 C ATOM 935 CD1 LEU A 100 -1.842 1.499 -1.395 1.00 0.00 C ATOM 936 CD2 LEU A 100 0.380 1.773 -0.281 1.00 0.00 C ATOM 0 H LEU A 100 1.448 2.053 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.320 2.059 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.136 0.590 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.303 1.886 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.578 3.208 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.324 1.833 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.445 1.801 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.749 0.413 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.133 2.103 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.528 0.694 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.348 2.270 -0.351 1.00 0.00 H new ATOM 948 N THR A 101 -1.218 4.493 -3.651 1.00 0.00 N ATOM 949 CA THR A 101 -1.220 5.947 -3.542 1.00 0.00 C ATOM 950 C THR A 101 -1.719 6.396 -2.174 1.00 0.00 C ATOM 951 O THR A 101 -2.880 6.180 -1.825 1.00 0.00 O ATOM 952 CB THR A 101 -2.096 6.591 -4.633 1.00 0.00 C ATOM 953 OG1 THR A 101 -1.632 6.199 -5.929 1.00 0.00 O ATOM 954 CG2 THR A 101 -2.076 8.108 -4.518 1.00 0.00 C ATOM 0 H THR A 101 -2.112 4.053 -3.432 1.00 0.00 H new ATOM 0 HA THR A 101 -0.189 6.275 -3.674 1.00 0.00 H new ATOM 0 HB THR A 101 -3.121 6.246 -4.495 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.195 6.611 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.702 8.540 -5.299 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.458 8.404 -3.541 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.053 8.468 -4.631 1.00 0.00 H new ATOM 962 N TYR A 102 -0.836 7.021 -1.403 1.00 0.00 N ATOM 963 CA TYR A 102 -1.188 7.499 -0.071 1.00 0.00 C ATOM 964 C TYR A 102 -1.685 8.941 -0.123 1.00 0.00 C ATOM 965 O TYR A 102 -1.095 9.789 -0.795 1.00 0.00 O ATOM 966 CB TYR A 102 0.018 7.398 0.865 1.00 0.00 C ATOM 967 CG TYR A 102 0.107 6.077 1.596 1.00 0.00 C ATOM 968 CD1 TYR A 102 -0.883 5.687 2.489 1.00 0.00 C ATOM 969 CD2 TYR A 102 1.182 5.220 1.393 1.00 0.00 C ATOM 970 CE1 TYR A 102 -0.805 4.481 3.159 1.00 0.00 C ATOM 971 CE2 TYR A 102 1.267 4.012 2.059 1.00 0.00 C ATOM 972 CZ TYR A 102 0.271 3.648 2.941 1.00 0.00 C ATOM 973 OH TYR A 102 0.352 2.446 3.606 1.00 0.00 O ATOM 0 H TYR A 102 0.128 7.208 -1.677 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.992 6.870 0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.930 7.546 0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.031 8.206 1.595 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.728 6.337 2.663 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.964 5.503 0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.583 4.193 3.850 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.109 3.357 1.890 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.475 2.294 4.109 1.00 0.00 H new ATOM 983 N CYS A 103 -2.772 9.210 0.590 1.00 0.00 N ATOM 984 CA CYS A 103 -3.350 10.549 0.626 1.00 0.00 C ATOM 985 C CYS A 103 -2.317 11.576 1.078 1.00 0.00 C ATOM 986 O CYS A 103 -2.118 12.599 0.425 1.00 0.00 O ATOM 987 CB CYS A 103 -4.560 10.580 1.561 1.00 0.00 C ATOM 988 SG CYS A 103 -4.273 9.797 3.166 1.00 0.00 S ATOM 0 H CYS A 103 -3.271 8.520 1.151 1.00 0.00 H new ATOM 0 HA CYS A 103 -3.673 10.805 -0.383 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.855 11.617 1.722 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.397 10.083 1.071 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.695 8.568 3.131 1.00 0.00 H new ATOM 994 N GLU A 104 -1.663 11.295 2.201 1.00 0.00 N ATOM 995 CA GLU A 104 -0.652 12.196 2.741 1.00 0.00 C ATOM 996 C GLU A 104 0.749 11.749 2.333 1.00 0.00 C ATOM 997 O GLU A 104 1.097 10.574 2.452 1.00 0.00 O ATOM 998 CB GLU A 104 -0.755 12.257 4.267 1.00 0.00 C ATOM 999 CG GLU A 104 -2.025 12.927 4.765 1.00 0.00 C ATOM 1000 CD GLU A 104 -1.862 14.423 4.950 1.00 0.00 C ATOM 1001 OE1 GLU A 104 -1.379 14.840 6.023 1.00 0.00 O ATOM 1002 OE2 GLU A 104 -2.218 15.177 4.020 1.00 0.00 O ATOM 0 H GLU A 104 -1.815 10.451 2.754 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.831 13.190 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.708 11.244 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.108 12.795 4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.832 12.738 4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.321 12.478 5.713 1.00 0.00 H new ATOM 1009 N ARG A 105 1.548 12.695 1.850 1.00 0.00 N ATOM 1010 CA ARG A 105 2.910 12.400 1.422 1.00 0.00 C ATOM 1011 C ARG A 105 3.724 11.809 2.569 1.00 0.00 C ATOM 1012 O ARG A 105 4.352 10.761 2.420 1.00 0.00 O ATOM 1013 CB ARG A 105 3.589 13.668 0.900 1.00 0.00 C ATOM 1014 CG ARG A 105 5.063 13.481 0.580 1.00 0.00 C ATOM 1015 CD ARG A 105 5.670 14.745 -0.008 1.00 0.00 C ATOM 1016 NE ARG A 105 5.805 15.803 0.990 1.00 0.00 N ATOM 1017 CZ ARG A 105 6.649 16.821 0.872 1.00 0.00 C ATOM 1018 NH1 ARG A 105 7.429 16.920 -0.196 1.00 0.00 N ATOM 1019 NH2 ARG A 105 6.714 17.744 1.823 1.00 0.00 N ATOM 0 H ARG A 105 1.275 13.672 1.745 1.00 0.00 H new ATOM 0 HA ARG A 105 2.861 11.665 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.071 14.004 0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.485 14.458 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.601 13.205 1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 105 5.182 12.657 -0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.649 14.515 -0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.046 15.099 -0.829 1.00 0.00 H new ATOM 0 HE ARG A 105 5.219 15.757 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.381 16.213 -0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.076 17.703 -0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 105 6.115 17.672 2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.363 18.526 1.731 1.00 0.00 H new ATOM 1033 N GLU A 106 3.708 12.488 3.711 1.00 0.00 N ATOM 1034 CA GLU A 106 4.446 12.030 4.882 1.00 0.00 C ATOM 1035 C GLU A 106 4.065 10.596 5.239 1.00 0.00 C ATOM 1036 O GLU A 106 4.924 9.721 5.343 1.00 0.00 O ATOM 1037 CB GLU A 106 4.180 12.952 6.074 1.00 0.00 C ATOM 1038 CG GLU A 106 4.935 14.269 6.005 1.00 0.00 C ATOM 1039 CD GLU A 106 6.303 14.191 6.654 1.00 0.00 C ATOM 1040 OE1 GLU A 106 6.862 13.077 6.730 1.00 0.00 O ATOM 1041 OE2 GLU A 106 6.815 15.246 7.085 1.00 0.00 O ATOM 0 H GLU A 106 3.192 13.357 3.850 1.00 0.00 H new ATOM 0 HA GLU A 106 5.509 12.056 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.111 13.158 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.455 12.433 6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.048 14.565 4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.348 15.046 6.495 1.00 0.00 H new ATOM 1048 N SER A 107 2.769 10.364 5.427 1.00 0.00 N ATOM 1049 CA SER A 107 2.273 9.038 5.777 1.00 0.00 C ATOM 1050 C SER A 107 3.033 7.956 5.017 1.00 0.00 C ATOM 1051 O SER A 107 3.641 7.070 5.617 1.00 0.00 O ATOM 1052 CB SER A 107 0.777 8.935 5.476 1.00 0.00 C ATOM 1053 OG SER A 107 0.301 7.619 5.700 1.00 0.00 O ATOM 0 H SER A 107 2.044 11.077 5.343 1.00 0.00 H new ATOM 0 HA SER A 107 2.432 8.887 6.845 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.227 9.636 6.104 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.591 9.221 4.441 1.00 0.00 H new ATOM 0 HG SER A 107 -0.658 7.580 5.502 1.00 0.00 H new ATOM 1059 N ALA A 108 2.993 8.034 3.690 1.00 0.00 N ATOM 1060 CA ALA A 108 3.678 7.064 2.847 1.00 0.00 C ATOM 1061 C ALA A 108 5.036 6.689 3.432 1.00 0.00 C ATOM 1062 O ALA A 108 5.361 5.509 3.567 1.00 0.00 O ATOM 1063 CB ALA A 108 3.843 7.612 1.437 1.00 0.00 C ATOM 0 H ALA A 108 2.493 8.760 3.177 1.00 0.00 H new ATOM 0 HA ALA A 108 3.067 6.162 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.357 6.876 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.862 7.823 1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.429 8.531 1.470 1.00 0.00 H new ATOM 1069 N LEU A 109 5.825 7.700 3.777 1.00 0.00 N ATOM 1070 CA LEU A 109 7.149 7.477 4.348 1.00 0.00 C ATOM 1071 C LEU A 109 7.085 6.477 5.498 1.00 0.00 C ATOM 1072 O LEU A 109 7.888 5.547 5.573 1.00 0.00 O ATOM 1073 CB LEU A 109 7.744 8.798 4.838 1.00 0.00 C ATOM 1074 CG LEU A 109 7.649 9.978 3.870 1.00 0.00 C ATOM 1075 CD1 LEU A 109 8.228 11.234 4.500 1.00 0.00 C ATOM 1076 CD2 LEU A 109 8.363 9.656 2.565 1.00 0.00 C ATOM 0 H LEU A 109 5.571 8.682 3.671 1.00 0.00 H new ATOM 0 HA LEU A 109 7.789 7.065 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.246 9.075 5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.795 8.634 5.077 1.00 0.00 H new ATOM 0 HG LEU A 109 6.597 10.159 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.151 12.063 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.673 11.475 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.276 11.066 4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.285 10.507 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.414 9.448 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.902 8.782 2.104 1.00 0.00 H new ATOM 1088 N LYS A 110 6.122 6.674 6.393 1.00 0.00 N ATOM 1089 CA LYS A 110 5.949 5.788 7.538 1.00 0.00 C ATOM 1090 C LYS A 110 5.780 4.341 7.087 1.00 0.00 C ATOM 1091 O LYS A 110 6.626 3.492 7.364 1.00 0.00 O ATOM 1092 CB LYS A 110 4.736 6.221 8.365 1.00 0.00 C ATOM 1093 CG LYS A 110 4.870 7.612 8.960 1.00 0.00 C ATOM 1094 CD LYS A 110 4.109 7.734 10.269 1.00 0.00 C ATOM 1095 CE LYS A 110 3.949 9.188 10.688 1.00 0.00 C ATOM 1096 NZ LYS A 110 2.786 9.833 10.019 1.00 0.00 N ATOM 0 H LYS A 110 5.450 7.440 6.347 1.00 0.00 H new ATOM 0 HA LYS A 110 6.845 5.855 8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.847 6.189 7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.582 5.504 9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.923 7.837 9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.496 8.350 8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.126 7.274 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.636 7.185 11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.822 9.243 11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.858 9.738 10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.711 10.822 10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.919 9.804 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.915 9.324 10.270 1.00 0.00 H new ATOM 1110 N ALA A 111 4.682 4.069 6.389 1.00 0.00 N ATOM 1111 CA ALA A 111 4.404 2.725 5.896 1.00 0.00 C ATOM 1112 C ALA A 111 5.593 2.168 5.121 1.00 0.00 C ATOM 1113 O ALA A 111 5.868 0.969 5.167 1.00 0.00 O ATOM 1114 CB ALA A 111 3.158 2.730 5.023 1.00 0.00 C ATOM 0 H ALA A 111 3.971 4.761 6.152 1.00 0.00 H new ATOM 0 HA ALA A 111 4.229 2.078 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.963 1.720 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.306 3.078 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.312 3.396 4.174 1.00 0.00 H new ATOM 1120 N GLN A 112 6.294 3.046 4.410 1.00 0.00 N ATOM 1121 CA GLN A 112 7.453 2.639 3.624 1.00 0.00 C ATOM 1122 C GLN A 112 8.516 2.001 4.511 1.00 0.00 C ATOM 1123 O GLN A 112 8.833 0.821 4.366 1.00 0.00 O ATOM 1124 CB GLN A 112 8.042 3.843 2.886 1.00 0.00 C ATOM 1125 CG GLN A 112 7.316 4.180 1.594 1.00 0.00 C ATOM 1126 CD GLN A 112 8.231 4.795 0.553 1.00 0.00 C ATOM 1127 OE1 GLN A 112 8.873 4.086 -0.223 1.00 0.00 O ATOM 1128 NE2 GLN A 112 8.297 6.121 0.532 1.00 0.00 N ATOM 0 H GLN A 112 6.080 4.042 4.362 1.00 0.00 H new ATOM 0 HA GLN A 112 7.124 1.899 2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 112 8.015 4.711 3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 112 9.090 3.644 2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.867 3.274 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.501 4.871 1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.748 6.670 1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.897 6.591 -0.146 1.00 0.00 H new ATOM 1137 N SER A 113 9.064 2.790 5.430 1.00 0.00 N ATOM 1138 CA SER A 113 10.095 2.303 6.339 1.00 0.00 C ATOM 1139 C SER A 113 9.516 1.296 7.328 1.00 0.00 C ATOM 1140 O SER A 113 10.239 0.471 7.886 1.00 0.00 O ATOM 1141 CB SER A 113 10.731 3.470 7.095 1.00 0.00 C ATOM 1142 OG SER A 113 11.656 3.007 8.064 1.00 0.00 O ATOM 0 H SER A 113 8.811 3.769 5.565 1.00 0.00 H new ATOM 0 HA SER A 113 10.861 1.804 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.237 4.131 6.391 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.954 4.059 7.582 1.00 0.00 H new ATOM 0 HG SER A 113 12.050 3.772 8.532 1.00 0.00 H new ATOM 1148 N ALA A 114 8.206 1.370 7.540 1.00 0.00 N ATOM 1149 CA ALA A 114 7.529 0.465 8.460 1.00 0.00 C ATOM 1150 C ALA A 114 7.328 -0.909 7.830 1.00 0.00 C ATOM 1151 O ALA A 114 7.393 -1.932 8.513 1.00 0.00 O ATOM 1152 CB ALA A 114 6.192 1.052 8.888 1.00 0.00 C ATOM 0 H ALA A 114 7.593 2.047 7.087 1.00 0.00 H new ATOM 0 HA ALA A 114 8.159 0.343 9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.697 0.366 9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.357 2.008 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.563 1.203 8.010 1.00 0.00 H new ATOM 1158 N LEU A 115 7.084 -0.926 6.524 1.00 0.00 N ATOM 1159 CA LEU A 115 6.873 -2.176 5.801 1.00 0.00 C ATOM 1160 C LEU A 115 8.170 -2.659 5.159 1.00 0.00 C ATOM 1161 O LEU A 115 8.604 -3.789 5.385 1.00 0.00 O ATOM 1162 CB LEU A 115 5.797 -1.993 4.730 1.00 0.00 C ATOM 1163 CG LEU A 115 4.350 -2.003 5.223 1.00 0.00 C ATOM 1164 CD1 LEU A 115 3.410 -1.512 4.133 1.00 0.00 C ATOM 1165 CD2 LEU A 115 3.954 -3.399 5.683 1.00 0.00 C ATOM 0 H LEU A 115 7.027 -0.089 5.944 1.00 0.00 H new ATOM 0 HA LEU A 115 6.541 -2.929 6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.979 -1.048 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.913 -2.784 3.989 1.00 0.00 H new ATOM 0 HG LEU A 115 4.271 -1.325 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.385 -1.526 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.680 -0.494 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.491 -2.163 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.921 -3.388 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.050 -4.097 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.608 -3.713 6.497 1.00 0.00 H new ATOM 1177 N HIS A 116 8.785 -1.794 4.358 1.00 0.00 N ATOM 1178 CA HIS A 116 10.034 -2.132 3.685 1.00 0.00 C ATOM 1179 C HIS A 116 10.901 -3.028 4.565 1.00 0.00 C ATOM 1180 O HIS A 116 11.023 -2.801 5.768 1.00 0.00 O ATOM 1181 CB HIS A 116 10.801 -0.860 3.320 1.00 0.00 C ATOM 1182 CG HIS A 116 11.916 -1.092 2.346 1.00 0.00 C ATOM 1183 ND1 HIS A 116 11.716 -1.602 1.081 1.00 0.00 N ATOM 1184 CD2 HIS A 116 13.247 -0.877 2.458 1.00 0.00 C ATOM 1185 CE1 HIS A 116 12.876 -1.694 0.457 1.00 0.00 C ATOM 1186 NE2 HIS A 116 13.822 -1.259 1.270 1.00 0.00 N ATOM 0 H HIS A 116 8.439 -0.855 4.160 1.00 0.00 H new ATOM 0 HA HIS A 116 9.791 -2.676 2.772 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.106 -0.135 2.898 1.00 0.00 H new ATOM 0 HB3 HIS A 116 11.209 -0.418 4.229 1.00 0.00 H new ATOM 0 HD2 HIS A 116 13.762 -0.479 3.320 1.00 0.00 H new ATOM 0 HE1 HIS A 116 13.026 -2.062 -0.547 1.00 0.00 H new ATOM 0 HE2 HIS A 116 14.817 -1.214 1.051 1.00 0.00 H new ATOM 1194 N GLU A 117 11.499 -4.047 3.955 1.00 0.00 N ATOM 1195 CA GLU A 117 12.352 -4.978 4.685 1.00 0.00 C ATOM 1196 C GLU A 117 11.830 -5.199 6.101 1.00 0.00 C ATOM 1197 O GLU A 117 12.607 -5.327 7.047 1.00 0.00 O ATOM 1198 CB GLU A 117 13.789 -4.455 4.735 1.00 0.00 C ATOM 1199 CG GLU A 117 14.498 -4.493 3.392 1.00 0.00 C ATOM 1200 CD GLU A 117 15.204 -5.812 3.142 1.00 0.00 C ATOM 1201 OE1 GLU A 117 16.192 -6.099 3.850 1.00 0.00 O ATOM 1202 OE2 GLU A 117 14.768 -6.556 2.239 1.00 0.00 O ATOM 0 H GLU A 117 11.409 -4.248 2.959 1.00 0.00 H new ATOM 0 HA GLU A 117 12.338 -5.932 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.781 -3.429 5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.357 -5.046 5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 117 13.773 -4.317 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.225 -3.682 3.346 1.00 0.00 H new ATOM 1209 N GLN A 118 10.508 -5.242 6.238 1.00 0.00 N ATOM 1210 CA GLN A 118 9.882 -5.447 7.539 1.00 0.00 C ATOM 1211 C GLN A 118 8.917 -6.627 7.499 1.00 0.00 C ATOM 1212 O GLN A 118 8.862 -7.430 8.430 1.00 0.00 O ATOM 1213 CB GLN A 118 9.142 -4.182 7.977 1.00 0.00 C ATOM 1214 CG GLN A 118 8.943 -4.083 9.480 1.00 0.00 C ATOM 1215 CD GLN A 118 7.646 -4.718 9.941 1.00 0.00 C ATOM 1216 OE1 GLN A 118 7.532 -5.942 10.011 1.00 0.00 O ATOM 1217 NE2 GLN A 118 6.659 -3.888 10.258 1.00 0.00 N ATOM 0 H GLN A 118 9.851 -5.138 5.465 1.00 0.00 H new ATOM 0 HA GLN A 118 10.668 -5.668 8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 118 9.698 -3.309 7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.169 -4.153 7.487 1.00 0.00 H new ATOM 0 HG2 GLN A 118 9.779 -4.566 9.986 1.00 0.00 H new ATOM 0 HG3 GLN A 118 8.954 -3.034 9.776 1.00 0.00 H new ATOM 0 HE21 GLN A 118 6.797 -2.880 10.185 1.00 0.00 H new ATOM 0 HE22 GLN A 118 5.763 -4.258 10.574 1.00 0.00 H new ATOM 1226 N LYS A 119 8.156 -6.726 6.414 1.00 0.00 N ATOM 1227 CA LYS A 119 7.192 -7.808 6.251 1.00 0.00 C ATOM 1228 C LYS A 119 7.592 -8.724 5.099 1.00 0.00 C ATOM 1229 O LYS A 119 8.088 -8.264 4.069 1.00 0.00 O ATOM 1230 CB LYS A 119 5.793 -7.240 6.003 1.00 0.00 C ATOM 1231 CG LYS A 119 4.991 -7.020 7.274 1.00 0.00 C ATOM 1232 CD LYS A 119 3.497 -7.129 7.016 1.00 0.00 C ATOM 1233 CE LYS A 119 2.691 -6.761 8.252 1.00 0.00 C ATOM 1234 NZ LYS A 119 2.572 -5.286 8.418 1.00 0.00 N ATOM 0 H LYS A 119 8.188 -6.070 5.634 1.00 0.00 H new ATOM 0 HA LYS A 119 7.182 -8.393 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.884 -6.292 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.245 -7.920 5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.286 -7.754 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.220 -6.036 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.220 -6.473 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.253 -8.146 6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.696 -7.200 8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.165 -7.189 9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.016 -5.076 9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.520 -4.870 8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.097 -4.880 7.587 1.00 0.00 H new ATOM 1248 N THR A 120 7.373 -10.023 5.277 1.00 0.00 N ATOM 1249 CA THR A 120 7.711 -11.003 4.253 1.00 0.00 C ATOM 1250 C THR A 120 6.518 -11.895 3.931 1.00 0.00 C ATOM 1251 O THR A 120 6.113 -12.726 4.746 1.00 0.00 O ATOM 1252 CB THR A 120 8.895 -11.886 4.688 1.00 0.00 C ATOM 1253 OG1 THR A 120 9.992 -11.064 5.105 1.00 0.00 O ATOM 1254 CG2 THR A 120 9.339 -12.795 3.552 1.00 0.00 C ATOM 0 H THR A 120 6.963 -10.421 6.122 1.00 0.00 H new ATOM 0 HA THR A 120 7.994 -10.443 3.362 1.00 0.00 H new ATOM 0 HB THR A 120 8.569 -12.507 5.522 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.740 -11.633 5.382 1.00 0.00 H new ATOM 0 HG21 THR A 120 10.176 -13.409 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.511 -13.439 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.648 -12.189 2.701 1.00 0.00 H new ATOM 1262 N LEU A 121 5.958 -11.719 2.740 1.00 0.00 N ATOM 1263 CA LEU A 121 4.810 -12.510 2.310 1.00 0.00 C ATOM 1264 C LEU A 121 5.157 -13.995 2.266 1.00 0.00 C ATOM 1265 O LEU A 121 6.301 -14.383 2.031 1.00 0.00 O ATOM 1266 CB LEU A 121 4.333 -12.046 0.932 1.00 0.00 C ATOM 1267 CG LEU A 121 3.778 -10.623 0.859 1.00 0.00 C ATOM 1268 CD1 LEU A 121 3.575 -10.203 -0.589 1.00 0.00 C ATOM 1269 CD2 LEU A 121 2.472 -10.519 1.634 1.00 0.00 C ATOM 0 H LEU A 121 6.280 -11.036 2.054 1.00 0.00 H new ATOM 0 HA LEU A 121 4.008 -12.364 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.167 -12.126 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.562 -12.734 0.586 1.00 0.00 H new ATOM 0 HG LEU A 121 4.502 -9.947 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.180 -9.188 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.529 -10.238 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.871 -10.882 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.092 -9.499 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.741 -11.206 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.647 -10.777 2.678 1.00 0.00 H new ATOM 1281 N PRO A 122 4.146 -14.846 2.496 1.00 0.00 N ATOM 1282 CA PRO A 122 4.319 -16.302 2.485 1.00 0.00 C ATOM 1283 C PRO A 122 4.587 -16.844 1.086 1.00 0.00 C ATOM 1284 O PRO A 122 3.756 -16.711 0.188 1.00 0.00 O ATOM 1285 CB PRO A 122 2.979 -16.822 3.013 1.00 0.00 C ATOM 1286 CG PRO A 122 2.000 -15.749 2.682 1.00 0.00 C ATOM 1287 CD PRO A 122 2.756 -14.453 2.782 1.00 0.00 C ATOM 0 HA PRO A 122 5.178 -16.615 3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 122 2.707 -17.766 2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 122 3.020 -17.003 4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 122 1.593 -15.887 1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 122 1.157 -15.763 3.373 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.390 -13.718 2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 122 2.660 -14.007 3.772 1.00 0.00 H new ATOM 1295 N GLY A 123 5.754 -17.456 0.906 1.00 0.00 N ATOM 1296 CA GLY A 123 6.110 -18.009 -0.387 1.00 0.00 C ATOM 1297 C GLY A 123 7.302 -17.309 -1.009 1.00 0.00 C ATOM 1298 O GLY A 123 7.977 -17.867 -1.874 1.00 0.00 O ATOM 0 H GLY A 123 6.459 -17.578 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 123 6.333 -19.070 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 123 5.256 -17.932 -1.059 1.00 0.00 H new ATOM 1302 N MET A 124 7.561 -16.082 -0.569 1.00 0.00 N ATOM 1303 CA MET A 124 8.679 -15.304 -1.090 1.00 0.00 C ATOM 1304 C MET A 124 9.847 -15.307 -0.108 1.00 0.00 C ATOM 1305 O MET A 124 9.744 -14.770 0.994 1.00 0.00 O ATOM 1306 CB MET A 124 8.240 -13.866 -1.373 1.00 0.00 C ATOM 1307 CG MET A 124 7.039 -13.769 -2.300 1.00 0.00 C ATOM 1308 SD MET A 124 7.422 -14.271 -3.989 1.00 0.00 S ATOM 1309 CE MET A 124 7.987 -12.719 -4.683 1.00 0.00 C ATOM 0 H MET A 124 7.012 -15.605 0.147 1.00 0.00 H new ATOM 0 HA MET A 124 9.008 -15.766 -2.021 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.001 -13.375 -0.429 1.00 0.00 H new ATOM 0 HB3 MET A 124 9.074 -13.320 -1.814 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.235 -14.395 -1.913 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.671 -12.743 -2.305 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.933 -12.875 -5.202 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.244 -12.343 -5.387 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.128 -11.993 -3.883 1.00 0.00 H new ATOM 1319 N ASN A 125 10.955 -15.915 -0.516 1.00 0.00 N ATOM 1320 CA ASN A 125 12.142 -15.989 0.328 1.00 0.00 C ATOM 1321 C ASN A 125 12.576 -14.597 0.779 1.00 0.00 C ATOM 1322 O ASN A 125 13.077 -14.422 1.890 1.00 0.00 O ATOM 1323 CB ASN A 125 13.286 -16.674 -0.422 1.00 0.00 C ATOM 1324 CG ASN A 125 13.350 -16.261 -1.880 1.00 0.00 C ATOM 1325 OD1 ASN A 125 13.196 -15.086 -2.211 1.00 0.00 O ATOM 1326 ND2 ASN A 125 13.579 -17.230 -2.759 1.00 0.00 N ATOM 0 H ASN A 125 11.056 -16.364 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 125 11.893 -16.577 1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 125 14.231 -16.432 0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 125 13.163 -17.755 -0.358 1.00 0.00 H new ATOM 0 HD21 ASN A 125 13.633 -17.013 -3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 125 13.701 -18.191 -2.439 1.00 0.00 H new ATOM 1333 N ARG A 126 12.380 -13.612 -0.091 1.00 0.00 N ATOM 1334 CA ARG A 126 12.752 -12.236 0.217 1.00 0.00 C ATOM 1335 C ARG A 126 11.540 -11.439 0.693 1.00 0.00 C ATOM 1336 O ARG A 126 10.395 -11.748 0.363 1.00 0.00 O ATOM 1337 CB ARG A 126 13.366 -11.564 -1.012 1.00 0.00 C ATOM 1338 CG ARG A 126 14.820 -11.940 -1.249 1.00 0.00 C ATOM 1339 CD ARG A 126 15.298 -11.482 -2.618 1.00 0.00 C ATOM 1340 NE ARG A 126 16.577 -12.086 -2.982 1.00 0.00 N ATOM 1341 CZ ARG A 126 17.074 -12.068 -4.213 1.00 0.00 C ATOM 1342 NH1 ARG A 126 16.404 -11.479 -5.194 1.00 0.00 N ATOM 1343 NH2 ARG A 126 18.244 -12.641 -4.466 1.00 0.00 N ATOM 0 H ARG A 126 11.966 -13.741 -1.014 1.00 0.00 H new ATOM 0 HA ARG A 126 13.490 -12.256 1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.782 -11.832 -1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.293 -10.482 -0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.444 -11.491 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.936 -13.021 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.550 -11.739 -3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 126 15.395 -10.396 -2.623 1.00 0.00 H new ATOM 0 HE ARG A 126 17.118 -12.547 -2.250 1.00 0.00 H new ATOM 0 HH11 ARG A 126 15.504 -11.038 -5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.789 -11.467 -6.139 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.762 -13.096 -3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.625 -12.627 -5.412 1.00 0.00 H new ATOM 1357 N PRO A 127 11.797 -10.390 1.488 1.00 0.00 N ATOM 1358 CA PRO A 127 10.741 -9.527 2.026 1.00 0.00 C ATOM 1359 C PRO A 127 10.083 -8.674 0.947 1.00 0.00 C ATOM 1360 O PRO A 127 10.428 -8.772 -0.231 1.00 0.00 O ATOM 1361 CB PRO A 127 11.484 -8.642 3.030 1.00 0.00 C ATOM 1362 CG PRO A 127 12.892 -8.617 2.544 1.00 0.00 C ATOM 1363 CD PRO A 127 13.139 -9.964 1.921 1.00 0.00 C ATOM 0 HA PRO A 127 9.928 -10.104 2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 127 11.059 -7.639 3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 127 11.421 -9.049 4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 127 13.040 -7.818 1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.585 -8.434 3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.830 -9.898 1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.572 -10.664 2.636 1.00 0.00 H new ATOM 1371 N ILE A 128 9.135 -7.838 1.357 1.00 0.00 N ATOM 1372 CA ILE A 128 8.431 -6.967 0.425 1.00 0.00 C ATOM 1373 C ILE A 128 9.197 -5.667 0.201 1.00 0.00 C ATOM 1374 O ILE A 128 9.595 -4.999 1.154 1.00 0.00 O ATOM 1375 CB ILE A 128 7.013 -6.634 0.927 1.00 0.00 C ATOM 1376 CG1 ILE A 128 6.331 -5.647 -0.022 1.00 0.00 C ATOM 1377 CG2 ILE A 128 7.070 -6.067 2.338 1.00 0.00 C ATOM 1378 CD1 ILE A 128 4.852 -5.476 0.244 1.00 0.00 C ATOM 0 H ILE A 128 8.837 -7.746 2.328 1.00 0.00 H new ATOM 0 HA ILE A 128 8.356 -7.509 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 128 6.426 -7.552 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.821 -4.677 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.470 -5.987 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 128 6.061 -5.837 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 128 7.520 -6.800 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 128 7.670 -5.157 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 128 4.435 -4.762 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.349 -6.436 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.705 -5.106 1.259 1.00 0.00 H new ATOM 1390 N GLN A 129 9.397 -5.316 -1.065 1.00 0.00 N ATOM 1391 CA GLN A 129 10.114 -4.095 -1.414 1.00 0.00 C ATOM 1392 C GLN A 129 9.144 -2.945 -1.661 1.00 0.00 C ATOM 1393 O GLN A 129 8.124 -3.112 -2.329 1.00 0.00 O ATOM 1394 CB GLN A 129 10.979 -4.323 -2.655 1.00 0.00 C ATOM 1395 CG GLN A 129 12.388 -4.797 -2.335 1.00 0.00 C ATOM 1396 CD GLN A 129 13.374 -3.652 -2.212 1.00 0.00 C ATOM 1397 OE1 GLN A 129 13.268 -2.647 -2.915 1.00 0.00 O ATOM 1398 NE2 GLN A 129 14.342 -3.799 -1.315 1.00 0.00 N ATOM 0 H GLN A 129 9.073 -5.859 -1.865 1.00 0.00 H new ATOM 0 HA GLN A 129 10.757 -3.830 -0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 129 10.494 -5.059 -3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 129 11.037 -3.395 -3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 129 12.375 -5.362 -1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 129 12.724 -5.479 -3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.392 -4.649 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.035 -3.062 -1.188 1.00 0.00 H new ATOM 1407 N VAL A 130 9.468 -1.776 -1.116 1.00 0.00 N ATOM 1408 CA VAL A 130 8.625 -0.597 -1.278 1.00 0.00 C ATOM 1409 C VAL A 130 9.450 0.615 -1.694 1.00 0.00 C ATOM 1410 O VAL A 130 10.335 1.059 -0.962 1.00 0.00 O ATOM 1411 CB VAL A 130 7.866 -0.268 0.021 1.00 0.00 C ATOM 1412 CG1 VAL A 130 6.987 0.958 -0.171 1.00 0.00 C ATOM 1413 CG2 VAL A 130 7.039 -1.462 0.472 1.00 0.00 C ATOM 0 H VAL A 130 10.308 -1.620 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 130 7.904 -0.828 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 130 8.594 -0.045 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 130 6.458 1.176 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 130 7.608 1.812 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 130 6.264 0.767 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 130 6.510 -1.211 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.318 -1.719 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.696 -2.313 0.652 1.00 0.00 H new ATOM 1423 N LYS A 131 9.154 1.149 -2.874 1.00 0.00 N ATOM 1424 CA LYS A 131 9.866 2.313 -3.388 1.00 0.00 C ATOM 1425 C LYS A 131 8.968 3.141 -4.301 1.00 0.00 C ATOM 1426 O LYS A 131 8.167 2.611 -5.072 1.00 0.00 O ATOM 1427 CB LYS A 131 11.119 1.874 -4.150 1.00 0.00 C ATOM 1428 CG LYS A 131 10.865 0.756 -5.146 1.00 0.00 C ATOM 1429 CD LYS A 131 11.046 -0.611 -4.509 1.00 0.00 C ATOM 1430 CE LYS A 131 11.026 -1.719 -5.550 1.00 0.00 C ATOM 1431 NZ LYS A 131 12.309 -1.798 -6.302 1.00 0.00 N ATOM 0 H LYS A 131 8.425 0.794 -3.493 1.00 0.00 H new ATOM 0 HA LYS A 131 10.161 2.931 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.532 2.733 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.873 1.547 -3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.853 0.843 -5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.547 0.858 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 131 11.991 -0.638 -3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 131 10.254 -0.781 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.833 -2.674 -5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.206 -1.547 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 12.273 -2.597 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 12.456 -0.915 -6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 13.095 -1.937 -5.635 1.00 0.00 H new ATOM 1445 N PRO A 132 9.103 4.473 -4.216 1.00 0.00 N ATOM 1446 CA PRO A 132 8.313 5.402 -5.029 1.00 0.00 C ATOM 1447 C PRO A 132 8.702 5.359 -6.503 1.00 0.00 C ATOM 1448 O PRO A 132 9.879 5.237 -6.840 1.00 0.00 O ATOM 1449 CB PRO A 132 8.645 6.770 -4.428 1.00 0.00 C ATOM 1450 CG PRO A 132 9.989 6.595 -3.808 1.00 0.00 C ATOM 1451 CD PRO A 132 10.038 5.174 -3.320 1.00 0.00 C ATOM 0 HA PRO A 132 7.251 5.159 -5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.660 7.546 -5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.903 7.068 -3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.781 6.786 -4.532 1.00 0.00 H new ATOM 0 HG3 PRO A 132 10.133 7.295 -2.985 1.00 0.00 H new ATOM 0 HD2 PRO A 132 11.044 4.761 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 132 9.730 5.096 -2.277 1.00 0.00 H new ATOM 1459 N ALA A 133 7.706 5.460 -7.376 1.00 0.00 N ATOM 1460 CA ALA A 133 7.945 5.435 -8.814 1.00 0.00 C ATOM 1461 C ALA A 133 8.436 6.790 -9.313 1.00 0.00 C ATOM 1462 O ALA A 133 7.921 7.324 -10.295 1.00 0.00 O ATOM 1463 CB ALA A 133 6.680 5.025 -9.553 1.00 0.00 C ATOM 0 H ALA A 133 6.726 5.560 -7.113 1.00 0.00 H new ATOM 0 HA ALA A 133 8.724 4.699 -9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 133 6.874 5.011 -10.626 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.374 4.031 -9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 133 5.885 5.739 -9.337 1.00 0.00 H new