USER MOD reduce.3.24.130724 H: found=0, std=0, add=1327, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1324 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 120 THR OG1 : rot -152:sc= 1.53 USER MOD Set 1.2: A 134 SER OG : rot -101:sc= 1.2 USER MOD Set 2.1: A 92 HIS : no HE2:sc= -0.541 K(o=-0.67,f=-2.6) USER MOD Set 2.2: A 121 GLN : amide:sc= -0.103 K(o=-0.67,f=-4.1!) USER MOD Set 2.3: A 155 GLN : amide:sc= -0.0259 X(o=-0.67,f=-0.59) USER MOD Set 3.1: A 48 HIS : no HD1:sc= -0.0746 K(o=-0.22,f=-1.1) USER MOD Set 3.2: A 166 MET CE :methyl -177:sc= -0.141 (180deg=-0.177) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -164:sc= -0.129 (180deg=-0.807) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -170:sc= -0.0305 (180deg=-0.313) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.0954 X(o=-0.095,f=0) USER MOD Single : A 33 GLN : amide:sc= 0.375 X(o=0.37,f=-0.045) USER MOD Single : A 35 GLN : amide:sc= 0.878 K(o=0.88,f=-0.73) USER MOD Single : A 36 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 39 TYR OH : rot 165:sc= -0.214 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -155:sc= 1.62 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 150:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0434 X(o=-0.043,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.0308 K(o=-0.031,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 MET CE :methyl -158:sc= -0.915 (180deg=-2.29) USER MOD Single : A 96 ASN : amide:sc= 0.838 K(o=0.84,f=-0.34) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0.968 K(o=0.97,f=0) USER MOD Single : A 113 HIS : no HE2:sc= 0.046 K(o=0.046,f=-3!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -154:sc= -0.57 (180deg=-1.91) USER MOD Single : A 136 SER OG : rot 98:sc= 0.638 USER MOD Single : A 138 CYS SG : rot 180:sc= 0.121 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 72:sc= 0.24 USER MOD Single : A 151 GLN :FLIP amide:sc= -0.0854 F(o=-1.9!,f=-0.085) USER MOD Single : A 153 LYS NZ :NH3+ -175:sc= 1.02 (180deg=0.957) USER MOD Single : A 154 MET CE :methyl -166:sc= 0 (180deg=-0.277) USER MOD Single : A 161 SER OG : rot -160:sc= -0.0214 USER MOD Single : A 163 MET CE :methyl -158:sc= -0.37 (180deg=-1.51) USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N TRP A 9 -2.782 18.513 10.312 1.00 0.91 N ATOM 129 CA TRP A 9 -3.021 17.631 9.160 1.00 0.86 C ATOM 130 C TRP A 9 -3.205 16.192 9.641 1.00 0.78 C ATOM 131 O TRP A 9 -4.187 15.541 9.282 1.00 0.73 O ATOM 132 CB TRP A 9 -1.856 17.754 8.156 1.00 0.92 C ATOM 133 CG TRP A 9 -1.973 17.016 6.851 1.00 0.91 C ATOM 134 CD1 TRP A 9 -2.114 15.679 6.693 1.00 1.75 C ATOM 135 CD2 TRP A 9 -1.913 17.563 5.491 1.00 1.48 C ATOM 136 NE1 TRP A 9 -2.180 15.367 5.350 1.00 1.39 N ATOM 137 CE2 TRP A 9 -2.050 16.488 4.560 1.00 1.15 C ATOM 138 CE3 TRP A 9 -1.750 18.858 4.946 1.00 2.96 C ATOM 139 CZ2 TRP A 9 -2.034 16.684 3.171 1.00 1.97 C ATOM 140 CZ3 TRP A 9 -1.727 19.067 3.553 1.00 3.99 C ATOM 141 CH2 TRP A 9 -1.869 17.985 2.665 1.00 3.46 C ATOM 0 HA TRP A 9 -3.935 17.931 8.647 1.00 0.86 H new ATOM 0 HB2 TRP A 9 -1.718 18.812 7.931 1.00 0.92 H new ATOM 0 HB3 TRP A 9 -0.948 17.413 8.653 1.00 0.92 H new ATOM 0 HD1 TRP A 9 -2.167 14.962 7.499 1.00 1.75 H new ATOM 0 HE1 TRP A 9 -2.309 14.423 4.987 1.00 1.39 H new ATOM 0 HE3 TRP A 9 -1.641 19.703 5.610 1.00 2.96 H new ATOM 0 HZ2 TRP A 9 -2.147 15.846 2.499 1.00 1.97 H new ATOM 0 HZ3 TRP A 9 -1.599 20.066 3.163 1.00 3.99 H new ATOM 0 HH2 TRP A 9 -1.851 18.153 1.598 1.00 3.46 H new ATOM 152 N ARG A 10 -2.314 15.721 10.524 1.00 0.78 N ATOM 153 CA ARG A 10 -2.403 14.381 11.115 1.00 0.74 C ATOM 154 C ARG A 10 -3.709 14.218 11.908 1.00 0.72 C ATOM 155 O ARG A 10 -4.404 13.214 11.753 1.00 0.72 O ATOM 156 CB ARG A 10 -1.179 14.111 12.013 1.00 0.80 C ATOM 157 CG ARG A 10 -1.007 12.598 12.227 1.00 0.91 C ATOM 158 CD ARG A 10 -0.335 12.223 13.555 1.00 1.50 C ATOM 159 NE ARG A 10 -1.129 11.188 14.249 1.00 2.37 N ATOM 160 CZ ARG A 10 -1.202 10.971 15.557 1.00 3.25 C ATOM 161 NH1 ARG A 10 -0.524 11.687 16.427 1.00 3.44 N ATOM 162 NH2 ARG A 10 -1.970 10.003 16.005 1.00 4.50 N ATOM 0 H ARG A 10 -1.511 16.260 10.848 1.00 0.78 H new ATOM 0 HA ARG A 10 -2.408 13.648 10.308 1.00 0.74 H new ATOM 0 HB2 ARG A 10 -0.282 14.526 11.553 1.00 0.80 H new ATOM 0 HB3 ARG A 10 -1.305 14.610 12.974 1.00 0.80 H new ATOM 0 HG2 ARG A 10 -1.987 12.122 12.181 1.00 0.91 H new ATOM 0 HG3 ARG A 10 -0.416 12.191 11.406 1.00 0.91 H new ATOM 0 HD2 ARG A 10 0.674 11.855 13.370 1.00 1.50 H new ATOM 0 HD3 ARG A 10 -0.242 13.106 14.187 1.00 1.50 H new ATOM 0 HE ARG A 10 -1.684 10.570 13.656 1.00 2.37 H new ATOM 0 HH11 ARG A 10 0.084 12.440 16.104 1.00 3.44 H new ATOM 0 HH12 ARG A 10 -0.606 11.490 17.424 1.00 3.44 H new ATOM 0 HH21 ARG A 10 -2.501 9.429 15.350 1.00 4.50 H new ATOM 0 HH22 ARG A 10 -2.035 9.826 17.007 1.00 4.50 H new ATOM 176 N ARG A 11 -4.087 15.234 12.692 1.00 0.75 N ATOM 177 CA ARG A 11 -5.318 15.268 13.497 1.00 0.77 C ATOM 178 C ARG A 11 -6.569 15.233 12.607 1.00 0.71 C ATOM 179 O ARG A 11 -7.474 14.440 12.860 1.00 0.73 O ATOM 180 CB ARG A 11 -5.280 16.519 14.399 1.00 0.87 C ATOM 181 CG ARG A 11 -6.551 16.713 15.237 1.00 1.09 C ATOM 182 CD ARG A 11 -6.427 17.905 16.194 1.00 1.74 C ATOM 183 NE ARG A 11 -7.702 18.149 16.895 1.00 1.95 N ATOM 184 CZ ARG A 11 -7.867 18.721 18.083 1.00 2.89 C ATOM 185 NH1 ARG A 11 -6.851 19.143 18.807 1.00 4.11 N ATOM 186 NH2 ARG A 11 -9.081 18.878 18.565 1.00 3.14 N ATOM 0 H ARG A 11 -3.529 16.082 12.788 1.00 0.75 H new ATOM 0 HA ARG A 11 -5.372 14.380 14.126 1.00 0.77 H new ATOM 0 HB2 ARG A 11 -4.422 16.448 15.067 1.00 0.87 H new ATOM 0 HB3 ARG A 11 -5.128 17.401 13.776 1.00 0.87 H new ATOM 0 HG2 ARG A 11 -7.403 16.866 14.575 1.00 1.09 H new ATOM 0 HG3 ARG A 11 -6.751 15.807 15.809 1.00 1.09 H new ATOM 0 HD2 ARG A 11 -5.638 17.713 16.921 1.00 1.74 H new ATOM 0 HD3 ARG A 11 -6.137 18.796 15.637 1.00 1.74 H new ATOM 0 HE ARG A 11 -8.549 17.845 16.415 1.00 1.95 H new ATOM 0 HH11 ARG A 11 -5.898 19.035 18.460 1.00 4.11 H new ATOM 0 HH12 ARG A 11 -7.017 19.577 19.715 1.00 4.11 H new ATOM 0 HH21 ARG A 11 -9.888 18.561 18.027 1.00 3.14 H new ATOM 0 HH22 ARG A 11 -9.215 19.316 19.476 1.00 3.14 H new ATOM 200 N THR A 12 -6.585 16.032 11.533 1.00 0.70 N ATOM 201 CA THR A 12 -7.659 16.093 10.522 1.00 0.68 C ATOM 202 C THR A 12 -7.827 14.752 9.823 1.00 0.61 C ATOM 203 O THR A 12 -8.954 14.285 9.678 1.00 0.59 O ATOM 204 CB THR A 12 -7.371 17.214 9.511 1.00 0.74 C ATOM 205 OG1 THR A 12 -7.342 18.441 10.205 1.00 0.83 O ATOM 206 CG2 THR A 12 -8.452 17.334 8.437 1.00 0.75 C ATOM 0 H THR A 12 -5.823 16.680 11.333 1.00 0.70 H new ATOM 0 HA THR A 12 -8.598 16.319 11.027 1.00 0.68 H new ATOM 0 HB THR A 12 -6.424 16.976 9.026 1.00 0.74 H new ATOM 0 HG1 THR A 12 -7.157 19.169 9.575 1.00 0.83 H new ATOM 0 HG21 THR A 12 -8.196 18.142 7.751 1.00 0.75 H new ATOM 0 HG22 THR A 12 -8.521 16.397 7.884 1.00 0.75 H new ATOM 0 HG23 THR A 12 -9.411 17.549 8.908 1.00 0.75 H new ATOM 214 N MET A 13 -6.726 14.102 9.440 1.00 0.60 N ATOM 215 CA MET A 13 -6.762 12.767 8.834 1.00 0.57 C ATOM 216 C MET A 13 -7.259 11.726 9.835 1.00 0.54 C ATOM 217 O MET A 13 -8.126 10.937 9.487 1.00 0.54 O ATOM 218 CB MET A 13 -5.368 12.370 8.299 1.00 0.64 C ATOM 219 CG MET A 13 -5.316 12.226 6.773 1.00 0.95 C ATOM 220 SD MET A 13 -5.148 13.761 5.820 1.00 1.39 S ATOM 221 CE MET A 13 -6.861 14.332 5.780 1.00 1.37 C ATOM 0 H MET A 13 -5.786 14.484 9.540 1.00 0.60 H new ATOM 0 HA MET A 13 -7.459 12.800 7.997 1.00 0.57 H new ATOM 0 HB2 MET A 13 -4.641 13.120 8.610 1.00 0.64 H new ATOM 0 HB3 MET A 13 -5.068 11.427 8.755 1.00 0.64 H new ATOM 0 HG2 MET A 13 -4.480 11.574 6.520 1.00 0.95 H new ATOM 0 HG3 MET A 13 -6.225 11.720 6.447 1.00 0.95 H new ATOM 0 HE1 MET A 13 -6.973 15.093 5.008 1.00 1.37 H new ATOM 0 HE2 MET A 13 -7.520 13.492 5.560 1.00 1.37 H new ATOM 0 HE3 MET A 13 -7.126 14.756 6.748 1.00 1.37 H new ATOM 231 N LEU A 14 -6.780 11.731 11.083 1.00 0.60 N ATOM 232 CA LEU A 14 -7.181 10.741 12.090 1.00 0.69 C ATOM 233 C LEU A 14 -8.663 10.891 12.459 1.00 0.69 C ATOM 234 O LEU A 14 -9.363 9.888 12.589 1.00 0.69 O ATOM 235 CB LEU A 14 -6.237 10.836 13.304 1.00 0.94 C ATOM 236 CG LEU A 14 -6.484 9.782 14.410 1.00 1.51 C ATOM 237 CD1 LEU A 14 -6.625 8.345 13.885 1.00 3.05 C ATOM 238 CD2 LEU A 14 -5.310 9.816 15.397 1.00 1.86 C ATOM 0 H LEU A 14 -6.107 12.417 11.423 1.00 0.60 H new ATOM 0 HA LEU A 14 -7.085 9.737 11.678 1.00 0.69 H new ATOM 0 HB2 LEU A 14 -5.209 10.739 12.954 1.00 0.94 H new ATOM 0 HB3 LEU A 14 -6.332 11.829 13.742 1.00 0.94 H new ATOM 0 HG LEU A 14 -7.432 10.046 14.880 1.00 1.51 H new ATOM 0 HD11 LEU A 14 -6.796 7.667 14.721 1.00 3.05 H new ATOM 0 HD12 LEU A 14 -7.468 8.290 13.196 1.00 3.05 H new ATOM 0 HD13 LEU A 14 -5.712 8.056 13.365 1.00 3.05 H new ATOM 0 HD21 LEU A 14 -5.473 9.077 16.182 1.00 1.86 H new ATOM 0 HD22 LEU A 14 -4.384 9.587 14.869 1.00 1.86 H new ATOM 0 HD23 LEU A 14 -5.238 10.808 15.842 1.00 1.86 H new ATOM 250 N LEU A 15 -9.171 12.123 12.526 1.00 0.71 N ATOM 251 CA LEU A 15 -10.599 12.404 12.700 1.00 0.73 C ATOM 252 C LEU A 15 -11.388 11.856 11.503 1.00 0.71 C ATOM 253 O LEU A 15 -12.327 11.090 11.711 1.00 0.79 O ATOM 254 CB LEU A 15 -10.742 13.924 12.954 1.00 0.76 C ATOM 255 CG LEU A 15 -12.101 14.457 13.456 1.00 0.73 C ATOM 256 CD1 LEU A 15 -13.177 14.377 12.376 1.00 0.76 C ATOM 257 CD2 LEU A 15 -12.604 13.739 14.718 1.00 0.76 C ATOM 0 H LEU A 15 -8.597 12.964 12.460 1.00 0.71 H new ATOM 0 HA LEU A 15 -11.031 11.895 13.562 1.00 0.73 H new ATOM 0 HB2 LEU A 15 -9.983 14.213 13.681 1.00 0.76 H new ATOM 0 HB3 LEU A 15 -10.505 14.440 12.024 1.00 0.76 H new ATOM 0 HG LEU A 15 -11.918 15.501 13.711 1.00 0.73 H new ATOM 0 HD11 LEU A 15 -14.118 14.762 12.770 1.00 0.76 H new ATOM 0 HD12 LEU A 15 -12.874 14.973 11.515 1.00 0.76 H new ATOM 0 HD13 LEU A 15 -13.309 13.339 12.070 1.00 0.76 H new ATOM 0 HD21 LEU A 15 -13.563 14.161 15.019 1.00 0.76 H new ATOM 0 HD22 LEU A 15 -12.725 12.676 14.508 1.00 0.76 H new ATOM 0 HD23 LEU A 15 -11.881 13.870 15.524 1.00 0.76 H new ATOM 269 N ARG A 16 -10.949 12.102 10.262 1.00 0.64 N ATOM 270 CA ARG A 16 -11.573 11.526 9.058 1.00 0.67 C ATOM 271 C ARG A 16 -11.558 9.988 9.073 1.00 0.69 C ATOM 272 O ARG A 16 -12.597 9.368 8.846 1.00 0.77 O ATOM 273 CB ARG A 16 -10.868 12.050 7.800 1.00 0.67 C ATOM 274 CG ARG A 16 -11.273 13.484 7.442 1.00 0.73 C ATOM 275 CD ARG A 16 -10.258 14.123 6.486 1.00 0.80 C ATOM 276 NE ARG A 16 -10.846 15.163 5.619 1.00 1.32 N ATOM 277 CZ ARG A 16 -11.365 16.330 5.986 1.00 2.73 C ATOM 278 NH1 ARG A 16 -11.509 16.668 7.249 1.00 3.96 N ATOM 279 NH2 ARG A 16 -11.755 17.188 5.067 1.00 3.51 N ATOM 0 H ARG A 16 -10.152 12.706 10.062 1.00 0.64 H new ATOM 0 HA ARG A 16 -12.617 11.839 9.050 1.00 0.67 H new ATOM 0 HB2 ARG A 16 -9.789 12.010 7.951 1.00 0.67 H new ATOM 0 HB3 ARG A 16 -11.097 11.393 6.961 1.00 0.67 H new ATOM 0 HG2 ARG A 16 -12.260 13.482 6.980 1.00 0.73 H new ATOM 0 HG3 ARG A 16 -11.347 14.082 8.351 1.00 0.73 H new ATOM 0 HD2 ARG A 16 -9.447 14.561 7.068 1.00 0.80 H new ATOM 0 HD3 ARG A 16 -9.818 13.345 5.862 1.00 0.80 H new ATOM 0 HE ARG A 16 -10.855 14.962 4.619 1.00 1.32 H new ATOM 0 HH11 ARG A 16 -11.218 16.025 7.985 1.00 3.96 H new ATOM 0 HH12 ARG A 16 -11.912 17.573 7.492 1.00 3.96 H new ATOM 0 HH21 ARG A 16 -11.658 16.956 4.079 1.00 3.51 H new ATOM 0 HH22 ARG A 16 -12.154 18.085 5.343 1.00 3.51 H new ATOM 293 N PHE A 17 -10.427 9.362 9.413 1.00 0.64 N ATOM 294 CA PHE A 17 -10.269 7.906 9.508 1.00 0.67 C ATOM 295 C PHE A 17 -11.172 7.303 10.598 1.00 0.74 C ATOM 296 O PHE A 17 -11.717 6.217 10.405 1.00 0.80 O ATOM 297 CB PHE A 17 -8.786 7.557 9.742 1.00 0.67 C ATOM 298 CG PHE A 17 -7.871 7.694 8.528 1.00 0.66 C ATOM 299 CD1 PHE A 17 -8.125 6.960 7.351 1.00 1.63 C ATOM 300 CD2 PHE A 17 -6.714 8.496 8.599 1.00 1.80 C ATOM 301 CE1 PHE A 17 -7.245 7.050 6.255 1.00 1.60 C ATOM 302 CE2 PHE A 17 -5.834 8.592 7.508 1.00 1.87 C ATOM 303 CZ PHE A 17 -6.105 7.871 6.330 1.00 0.75 C ATOM 0 H PHE A 17 -9.570 9.869 9.636 1.00 0.64 H new ATOM 0 HA PHE A 17 -10.586 7.463 8.564 1.00 0.67 H new ATOM 0 HB2 PHE A 17 -8.403 8.198 10.536 1.00 0.67 H new ATOM 0 HB3 PHE A 17 -8.727 6.531 10.104 1.00 0.67 H new ATOM 0 HD1 PHE A 17 -8.998 6.327 7.290 1.00 1.63 H new ATOM 0 HD2 PHE A 17 -6.501 9.044 9.505 1.00 1.80 H new ATOM 0 HE1 PHE A 17 -7.446 6.488 5.355 1.00 1.60 H new ATOM 0 HE2 PHE A 17 -4.955 9.216 7.573 1.00 1.87 H new ATOM 0 HZ PHE A 17 -5.438 7.948 5.484 1.00 0.75 H new ATOM 313 N GLN A 18 -11.393 8.018 11.706 1.00 0.75 N ATOM 314 CA GLN A 18 -12.306 7.605 12.777 1.00 0.90 C ATOM 315 C GLN A 18 -13.793 7.802 12.403 1.00 0.97 C ATOM 316 O GLN A 18 -14.646 7.053 12.883 1.00 1.11 O ATOM 317 CB GLN A 18 -11.913 8.367 14.058 1.00 1.00 C ATOM 318 CG GLN A 18 -12.490 7.737 15.336 1.00 1.20 C ATOM 319 CD GLN A 18 -11.747 8.208 16.590 1.00 2.28 C ATOM 320 OE1 GLN A 18 -11.797 9.368 16.984 1.00 2.54 O ATOM 321 NE2 GLN A 18 -11.009 7.338 17.255 1.00 3.57 N ATOM 0 H GLN A 18 -10.937 8.912 11.887 1.00 0.75 H new ATOM 0 HA GLN A 18 -12.206 6.533 12.945 1.00 0.90 H new ATOM 0 HB2 GLN A 18 -10.826 8.400 14.135 1.00 1.00 H new ATOM 0 HB3 GLN A 18 -12.258 9.398 13.981 1.00 1.00 H new ATOM 0 HG2 GLN A 18 -13.546 7.993 15.422 1.00 1.20 H new ATOM 0 HG3 GLN A 18 -12.430 6.651 15.265 1.00 1.20 H new ATOM 0 HE21 GLN A 18 -10.956 6.369 16.941 1.00 3.57 H new ATOM 0 HE22 GLN A 18 -10.492 7.635 18.083 1.00 3.57 H new ATOM 330 N ARG A 19 -14.110 8.768 11.526 1.00 0.95 N ATOM 331 CA ARG A 19 -15.465 9.029 11.009 1.00 1.05 C ATOM 332 C ARG A 19 -15.928 8.046 9.918 1.00 1.04 C ATOM 333 O ARG A 19 -17.140 7.947 9.705 1.00 1.17 O ATOM 334 CB ARG A 19 -15.549 10.465 10.452 1.00 1.12 C ATOM 335 CG ARG A 19 -15.463 11.582 11.507 1.00 1.92 C ATOM 336 CD ARG A 19 -16.794 11.960 12.166 1.00 1.20 C ATOM 337 NE ARG A 19 -17.298 10.909 13.066 1.00 2.28 N ATOM 338 CZ ARG A 19 -18.521 10.835 13.580 1.00 2.51 C ATOM 339 NH1 ARG A 19 -19.445 11.740 13.325 1.00 2.87 N ATOM 340 NH2 ARG A 19 -18.833 9.833 14.373 1.00 3.87 N ATOM 0 H ARG A 19 -13.412 9.407 11.146 1.00 0.95 H new ATOM 0 HA ARG A 19 -16.133 8.892 11.860 1.00 1.05 H new ATOM 0 HB2 ARG A 19 -14.744 10.606 9.731 1.00 1.12 H new ATOM 0 HB3 ARG A 19 -16.487 10.572 9.908 1.00 1.12 H new ATOM 0 HG2 ARG A 19 -14.766 11.272 12.285 1.00 1.92 H new ATOM 0 HG3 ARG A 19 -15.042 12.471 11.038 1.00 1.92 H new ATOM 0 HD2 ARG A 19 -16.667 12.885 12.729 1.00 1.20 H new ATOM 0 HD3 ARG A 19 -17.536 12.157 11.392 1.00 1.20 H new ATOM 0 HE ARG A 19 -16.646 10.167 13.319 1.00 2.28 H new ATOM 0 HH11 ARG A 19 -19.231 12.529 12.715 1.00 2.87 H new ATOM 0 HH12 ARG A 19 -20.374 11.651 13.737 1.00 2.87 H new ATOM 0 HH21 ARG A 19 -18.138 9.119 14.590 1.00 3.87 H new ATOM 0 HH22 ARG A 19 -19.770 9.770 14.771 1.00 3.87 H new ATOM 354 N MET A 20 -15.021 7.339 9.225 1.00 0.92 N ATOM 355 CA MET A 20 -15.360 6.410 8.128 1.00 0.93 C ATOM 356 C MET A 20 -16.485 5.430 8.499 1.00 1.06 C ATOM 357 O MET A 20 -16.376 4.695 9.485 1.00 2.17 O ATOM 358 CB MET A 20 -14.135 5.608 7.658 1.00 0.86 C ATOM 359 CG MET A 20 -12.969 6.486 7.200 1.00 0.87 C ATOM 360 SD MET A 20 -13.336 7.694 5.911 1.00 0.95 S ATOM 361 CE MET A 20 -11.654 8.304 5.682 1.00 0.72 C ATOM 0 H MET A 20 -14.020 7.395 9.411 1.00 0.92 H new ATOM 0 HA MET A 20 -15.713 7.045 7.315 1.00 0.93 H new ATOM 0 HB2 MET A 20 -13.798 4.965 8.471 1.00 0.86 H new ATOM 0 HB3 MET A 20 -14.432 4.955 6.837 1.00 0.86 H new ATOM 0 HG2 MET A 20 -12.581 7.019 8.068 1.00 0.87 H new ATOM 0 HG3 MET A 20 -12.171 5.836 6.842 1.00 0.87 H new ATOM 0 HE1 MET A 20 -11.672 9.191 5.048 1.00 0.72 H new ATOM 0 HE2 MET A 20 -11.224 8.559 6.651 1.00 0.72 H new ATOM 0 HE3 MET A 20 -11.048 7.532 5.208 1.00 0.72 H new ATOM 371 N GLU A 21 -17.555 5.411 7.702 1.00 0.85 N ATOM 372 CA GLU A 21 -18.739 4.574 7.936 1.00 1.00 C ATOM 373 C GLU A 21 -18.638 3.206 7.238 1.00 1.03 C ATOM 374 O GLU A 21 -19.281 2.248 7.676 1.00 1.05 O ATOM 375 CB GLU A 21 -19.995 5.338 7.478 1.00 1.16 C ATOM 376 CG GLU A 21 -21.291 4.719 8.023 1.00 1.91 C ATOM 377 CD GLU A 21 -22.497 5.639 7.783 1.00 2.39 C ATOM 378 OE1 GLU A 21 -23.107 5.579 6.688 1.00 3.15 O ATOM 379 OE2 GLU A 21 -22.857 6.422 8.696 1.00 3.09 O ATOM 0 H GLU A 21 -17.627 5.985 6.862 1.00 0.85 H new ATOM 0 HA GLU A 21 -18.805 4.366 9.004 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -19.925 6.375 7.806 1.00 1.16 H new ATOM 0 HB3 GLU A 21 -20.032 5.350 6.389 1.00 1.16 H new ATOM 0 HG2 GLU A 21 -21.465 3.756 7.543 1.00 1.91 H new ATOM 0 HG3 GLU A 21 -21.184 4.529 9.091 1.00 1.91 H new ATOM 386 N THR A 22 -17.826 3.101 6.173 1.00 1.05 N ATOM 387 CA THR A 22 -17.629 1.875 5.381 1.00 1.13 C ATOM 388 C THR A 22 -16.147 1.627 5.123 1.00 1.06 C ATOM 389 O THR A 22 -15.350 2.564 5.024 1.00 0.95 O ATOM 390 CB THR A 22 -18.408 1.927 4.054 1.00 1.24 C ATOM 391 OG1 THR A 22 -17.801 2.840 3.171 1.00 1.15 O ATOM 392 CG2 THR A 22 -19.878 2.325 4.227 1.00 1.38 C ATOM 0 H THR A 22 -17.274 3.887 5.830 1.00 1.05 H new ATOM 0 HA THR A 22 -18.022 1.043 5.965 1.00 1.13 H new ATOM 0 HB THR A 22 -18.383 0.914 3.652 1.00 1.24 H new ATOM 0 HG1 THR A 22 -18.303 2.864 2.330 1.00 1.15 H new ATOM 0 HG21 THR A 22 -20.367 2.342 3.253 1.00 1.38 H new ATOM 0 HG22 THR A 22 -20.377 1.602 4.872 1.00 1.38 H new ATOM 0 HG23 THR A 22 -19.936 3.315 4.680 1.00 1.38 H new ATOM 400 N ALA A 23 -15.769 0.355 4.957 1.00 1.13 N ATOM 401 CA ALA A 23 -14.416 -0.041 4.544 1.00 1.10 C ATOM 402 C ALA A 23 -14.038 0.572 3.182 1.00 1.06 C ATOM 403 O ALA A 23 -12.871 0.877 2.935 1.00 0.99 O ATOM 404 CB ALA A 23 -14.326 -1.573 4.542 1.00 1.19 C ATOM 0 H ALA A 23 -16.397 -0.435 5.106 1.00 1.13 H new ATOM 0 HA ALA A 23 -13.689 0.349 5.256 1.00 1.10 H new ATOM 0 HB1 ALA A 23 -13.325 -1.878 4.237 1.00 1.19 H new ATOM 0 HB2 ALA A 23 -14.531 -1.951 5.544 1.00 1.19 H new ATOM 0 HB3 ALA A 23 -15.058 -1.980 3.844 1.00 1.19 H new ATOM 410 N GLU A 24 -15.036 0.796 2.320 1.00 1.13 N ATOM 411 CA GLU A 24 -14.883 1.486 1.040 1.00 1.16 C ATOM 412 C GLU A 24 -14.422 2.932 1.255 1.00 1.02 C ATOM 413 O GLU A 24 -13.489 3.378 0.596 1.00 1.04 O ATOM 414 CB GLU A 24 -16.180 1.448 0.215 1.00 1.35 C ATOM 415 CG GLU A 24 -16.711 0.024 -0.014 1.00 1.52 C ATOM 416 CD GLU A 24 -17.907 0.032 -0.980 1.00 1.89 C ATOM 417 OE1 GLU A 24 -19.029 0.405 -0.562 1.00 2.46 O ATOM 418 OE2 GLU A 24 -17.739 -0.345 -2.165 1.00 2.68 O ATOM 0 H GLU A 24 -15.994 0.494 2.500 1.00 1.13 H new ATOM 0 HA GLU A 24 -14.117 0.957 0.473 1.00 1.16 H new ATOM 0 HB2 GLU A 24 -16.944 2.036 0.724 1.00 1.35 H new ATOM 0 HB3 GLU A 24 -16.003 1.922 -0.750 1.00 1.35 H new ATOM 0 HG2 GLU A 24 -15.917 -0.604 -0.418 1.00 1.52 H new ATOM 0 HG3 GLU A 24 -17.011 -0.414 0.938 1.00 1.52 H new ATOM 425 N GLU A 25 -15.012 3.646 2.220 1.00 0.91 N ATOM 426 CA GLU A 25 -14.654 5.031 2.542 1.00 0.86 C ATOM 427 C GLU A 25 -13.197 5.155 3.036 1.00 0.75 C ATOM 428 O GLU A 25 -12.502 6.100 2.656 1.00 0.75 O ATOM 429 CB GLU A 25 -15.653 5.594 3.570 1.00 0.88 C ATOM 430 CG GLU A 25 -15.814 7.115 3.444 1.00 1.40 C ATOM 431 CD GLU A 25 -16.779 7.718 4.482 1.00 2.23 C ATOM 432 OE1 GLU A 25 -17.307 6.984 5.353 1.00 2.70 O ATOM 433 OE2 GLU A 25 -17.034 8.944 4.411 1.00 3.15 O ATOM 0 H GLU A 25 -15.760 3.274 2.806 1.00 0.91 H new ATOM 0 HA GLU A 25 -14.715 5.624 1.629 1.00 0.86 H new ATOM 0 HB2 GLU A 25 -16.622 5.115 3.433 1.00 0.88 H new ATOM 0 HB3 GLU A 25 -15.315 5.348 4.576 1.00 0.88 H new ATOM 0 HG2 GLU A 25 -14.837 7.586 3.551 1.00 1.40 H new ATOM 0 HG3 GLU A 25 -16.174 7.353 2.443 1.00 1.40 H new ATOM 440 N VAL A 26 -12.706 4.168 3.803 1.00 0.69 N ATOM 441 CA VAL A 26 -11.302 4.128 4.273 1.00 0.62 C ATOM 442 C VAL A 26 -10.329 4.060 3.088 1.00 0.67 C ATOM 443 O VAL A 26 -9.403 4.870 3.004 1.00 0.65 O ATOM 444 CB VAL A 26 -11.013 2.941 5.235 1.00 0.65 C ATOM 445 CG1 VAL A 26 -9.551 2.957 5.720 1.00 0.62 C ATOM 446 CG2 VAL A 26 -11.923 2.922 6.475 1.00 0.72 C ATOM 0 H VAL A 26 -13.265 3.375 4.117 1.00 0.69 H new ATOM 0 HA VAL A 26 -11.150 5.052 4.830 1.00 0.62 H new ATOM 0 HB VAL A 26 -11.215 2.047 4.645 1.00 0.65 H new ATOM 0 HG11 VAL A 26 -9.381 2.115 6.391 1.00 0.62 H new ATOM 0 HG12 VAL A 26 -8.882 2.879 4.863 1.00 0.62 H new ATOM 0 HG13 VAL A 26 -9.354 3.889 6.250 1.00 0.62 H new ATOM 0 HG21 VAL A 26 -11.666 2.068 7.102 1.00 0.72 H new ATOM 0 HG22 VAL A 26 -11.785 3.843 7.042 1.00 0.72 H new ATOM 0 HG23 VAL A 26 -12.964 2.842 6.161 1.00 0.72 H new ATOM 456 N TYR A 27 -10.544 3.124 2.154 1.00 0.76 N ATOM 457 CA TYR A 27 -9.664 2.970 0.989 1.00 0.81 C ATOM 458 C TYR A 27 -9.877 4.105 -0.036 1.00 0.81 C ATOM 459 O TYR A 27 -8.939 4.525 -0.708 1.00 0.79 O ATOM 460 CB TYR A 27 -9.733 1.546 0.399 1.00 0.94 C ATOM 461 CG TYR A 27 -10.613 1.364 -0.824 1.00 1.06 C ATOM 462 CD1 TYR A 27 -10.197 1.870 -2.071 1.00 1.82 C ATOM 463 CD2 TYR A 27 -11.840 0.687 -0.721 1.00 1.71 C ATOM 464 CE1 TYR A 27 -11.047 1.782 -3.187 1.00 1.95 C ATOM 465 CE2 TYR A 27 -12.688 0.576 -1.842 1.00 1.75 C ATOM 466 CZ TYR A 27 -12.298 1.137 -3.079 1.00 1.31 C ATOM 467 OH TYR A 27 -13.122 1.050 -4.161 1.00 1.44 O ATOM 0 H TYR A 27 -11.320 2.462 2.183 1.00 0.76 H new ATOM 0 HA TYR A 27 -8.632 3.079 1.322 1.00 0.81 H new ATOM 0 HB2 TYR A 27 -8.721 1.234 0.141 1.00 0.94 H new ATOM 0 HB3 TYR A 27 -10.086 0.870 1.178 1.00 0.94 H new ATOM 0 HD1 TYR A 27 -9.223 2.326 -2.170 1.00 1.82 H new ATOM 0 HD2 TYR A 27 -12.135 0.250 0.221 1.00 1.71 H new ATOM 0 HE1 TYR A 27 -10.742 2.209 -4.131 1.00 1.95 H new ATOM 0 HE2 TYR A 27 -13.634 0.063 -1.755 1.00 1.75 H new ATOM 0 HH TYR A 27 -13.941 0.574 -3.911 1.00 1.44 H new ATOM 477 N HIS A 28 -11.092 4.641 -0.141 1.00 0.86 N ATOM 478 CA HIS A 28 -11.427 5.775 -0.998 1.00 0.93 C ATOM 479 C HIS A 28 -10.656 7.046 -0.597 1.00 0.83 C ATOM 480 O HIS A 28 -10.142 7.721 -1.482 1.00 0.89 O ATOM 481 CB HIS A 28 -12.945 5.994 -0.956 1.00 1.06 C ATOM 482 CG HIS A 28 -13.444 7.214 -1.691 1.00 1.31 C ATOM 483 ND1 HIS A 28 -14.305 8.162 -1.186 1.00 1.49 N ATOM 484 CD2 HIS A 28 -13.177 7.565 -2.989 1.00 1.52 C ATOM 485 CE1 HIS A 28 -14.559 9.054 -2.157 1.00 1.79 C ATOM 486 NE2 HIS A 28 -13.893 8.734 -3.283 1.00 1.81 N ATOM 0 H HIS A 28 -11.893 4.288 0.383 1.00 0.86 H new ATOM 0 HA HIS A 28 -11.124 5.551 -2.021 1.00 0.93 H new ATOM 0 HB2 HIS A 28 -13.434 5.114 -1.374 1.00 1.06 H new ATOM 0 HB3 HIS A 28 -13.256 6.066 0.086 1.00 1.06 H new ATOM 0 HD2 HIS A 28 -12.527 7.033 -3.668 1.00 1.52 H new ATOM 0 HE1 HIS A 28 -15.208 9.910 -2.050 1.00 1.79 H new ATOM 0 HE2 HIS A 28 -13.907 9.239 -4.169 1.00 1.81 H new ATOM 494 N GLU A 29 -10.519 7.375 0.696 1.00 0.70 N ATOM 495 CA GLU A 29 -9.725 8.553 1.092 1.00 0.67 C ATOM 496 C GLU A 29 -8.238 8.424 0.704 1.00 0.60 C ATOM 497 O GLU A 29 -7.629 9.379 0.219 1.00 0.68 O ATOM 498 CB GLU A 29 -9.859 8.851 2.593 1.00 0.71 C ATOM 499 CG GLU A 29 -9.511 10.322 2.885 1.00 0.94 C ATOM 500 CD GLU A 29 -8.710 10.484 4.182 1.00 2.09 C ATOM 501 OE1 GLU A 29 -7.467 10.337 4.140 1.00 3.55 O ATOM 502 OE2 GLU A 29 -9.323 10.804 5.224 1.00 3.05 O ATOM 0 H GLU A 29 -10.935 6.858 1.470 1.00 0.70 H new ATOM 0 HA GLU A 29 -10.138 9.393 0.534 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -10.876 8.640 2.922 1.00 0.71 H new ATOM 0 HB3 GLU A 29 -9.198 8.196 3.160 1.00 0.71 H new ATOM 0 HG2 GLU A 29 -8.937 10.729 2.053 1.00 0.94 H new ATOM 0 HG3 GLU A 29 -10.430 10.904 2.953 1.00 0.94 H new ATOM 509 N ILE A 30 -7.636 7.242 0.882 1.00 0.51 N ATOM 510 CA ILE A 30 -6.227 7.034 0.472 1.00 0.49 C ATOM 511 C ILE A 30 -6.066 6.943 -1.055 1.00 0.54 C ATOM 512 O ILE A 30 -5.073 7.432 -1.592 1.00 0.55 O ATOM 513 CB ILE A 30 -5.561 5.871 1.235 1.00 0.51 C ATOM 514 CG1 ILE A 30 -6.167 4.519 0.830 1.00 0.60 C ATOM 515 CG2 ILE A 30 -5.680 6.124 2.750 1.00 0.55 C ATOM 516 CD1 ILE A 30 -5.655 3.329 1.627 1.00 0.69 C ATOM 0 H ILE A 30 -8.084 6.426 1.298 1.00 0.51 H new ATOM 0 HA ILE A 30 -5.677 7.928 0.766 1.00 0.49 H new ATOM 0 HB ILE A 30 -4.504 5.826 0.972 1.00 0.51 H new ATOM 0 HG12 ILE A 30 -7.250 4.574 0.940 1.00 0.60 H new ATOM 0 HG13 ILE A 30 -5.963 4.346 -0.227 1.00 0.60 H new ATOM 0 HG21 ILE A 30 -5.211 5.304 3.294 1.00 0.55 H new ATOM 0 HG22 ILE A 30 -5.181 7.060 3.003 1.00 0.55 H new ATOM 0 HG23 ILE A 30 -6.732 6.187 3.027 1.00 0.55 H new ATOM 0 HD11 ILE A 30 -6.138 2.418 1.272 1.00 0.69 H new ATOM 0 HD12 ILE A 30 -4.576 3.242 1.498 1.00 0.69 H new ATOM 0 HD13 ILE A 30 -5.884 3.473 2.683 1.00 0.69 H new ATOM 528 N GLU A 31 -7.070 6.415 -1.765 1.00 0.64 N ATOM 529 CA GLU A 31 -7.201 6.545 -3.218 1.00 0.85 C ATOM 530 C GLU A 31 -7.272 8.020 -3.623 1.00 0.92 C ATOM 531 O GLU A 31 -6.627 8.403 -4.590 1.00 0.92 O ATOM 532 CB GLU A 31 -8.426 5.759 -3.734 1.00 1.30 C ATOM 533 CG GLU A 31 -8.966 6.290 -5.074 1.00 1.97 C ATOM 534 CD GLU A 31 -10.135 5.512 -5.684 1.00 2.29 C ATOM 535 OE1 GLU A 31 -10.961 4.930 -4.942 1.00 3.53 O ATOM 536 OE2 GLU A 31 -10.259 5.556 -6.932 1.00 2.81 O ATOM 0 H GLU A 31 -7.825 5.878 -1.338 1.00 0.64 H new ATOM 0 HA GLU A 31 -6.315 6.113 -3.683 1.00 0.85 H new ATOM 0 HB2 GLU A 31 -8.154 4.710 -3.849 1.00 1.30 H new ATOM 0 HB3 GLU A 31 -9.219 5.803 -2.987 1.00 1.30 H new ATOM 0 HG2 GLU A 31 -9.279 7.324 -4.932 1.00 1.97 H new ATOM 0 HG3 GLU A 31 -8.148 6.300 -5.794 1.00 1.97 H new ATOM 543 N LEU A 32 -8.018 8.874 -2.918 1.00 1.06 N ATOM 544 CA LEU A 32 -8.118 10.292 -3.261 1.00 1.20 C ATOM 545 C LEU A 32 -6.756 10.997 -3.191 1.00 1.07 C ATOM 546 O LEU A 32 -6.498 11.869 -4.018 1.00 1.18 O ATOM 547 CB LEU A 32 -9.203 10.962 -2.395 1.00 1.33 C ATOM 548 CG LEU A 32 -10.645 10.711 -2.884 1.00 1.48 C ATOM 549 CD1 LEU A 32 -11.625 11.234 -1.825 1.00 1.53 C ATOM 550 CD2 LEU A 32 -10.934 11.393 -4.231 1.00 1.72 C ATOM 0 H LEU A 32 -8.565 8.604 -2.100 1.00 1.06 H new ATOM 0 HA LEU A 32 -8.429 10.386 -4.301 1.00 1.20 H new ATOM 0 HB2 LEU A 32 -9.110 10.600 -1.371 1.00 1.33 H new ATOM 0 HB3 LEU A 32 -9.021 12.036 -2.371 1.00 1.33 H new ATOM 0 HG LEU A 32 -10.767 9.638 -3.032 1.00 1.48 H new ATOM 0 HD11 LEU A 32 -12.648 11.062 -2.160 1.00 1.53 H new ATOM 0 HD12 LEU A 32 -11.458 10.710 -0.884 1.00 1.53 H new ATOM 0 HD13 LEU A 32 -11.466 12.302 -1.678 1.00 1.53 H new ATOM 0 HD21 LEU A 32 -11.961 11.186 -4.531 1.00 1.72 H new ATOM 0 HD22 LEU A 32 -10.795 12.470 -4.131 1.00 1.72 H new ATOM 0 HD23 LEU A 32 -10.250 11.008 -4.988 1.00 1.72 H new ATOM 562 N GLN A 33 -5.847 10.585 -2.298 1.00 0.90 N ATOM 563 CA GLN A 33 -4.452 11.046 -2.314 1.00 0.89 C ATOM 564 C GLN A 33 -3.692 10.560 -3.566 1.00 0.64 C ATOM 565 O GLN A 33 -2.903 11.322 -4.127 1.00 0.74 O ATOM 566 CB GLN A 33 -3.758 10.640 -0.994 1.00 1.05 C ATOM 567 CG GLN A 33 -2.532 11.503 -0.620 1.00 1.21 C ATOM 568 CD GLN A 33 -1.168 10.911 -1.002 1.00 2.81 C ATOM 569 OE1 GLN A 33 -0.372 10.535 -0.153 1.00 3.73 O ATOM 570 NE2 GLN A 33 -0.818 10.830 -2.269 1.00 3.92 N ATOM 0 H GLN A 33 -6.056 9.926 -1.548 1.00 0.90 H new ATOM 0 HA GLN A 33 -4.442 12.134 -2.379 1.00 0.89 H new ATOM 0 HB2 GLN A 33 -4.486 10.696 -0.184 1.00 1.05 H new ATOM 0 HB3 GLN A 33 -3.444 9.599 -1.069 1.00 1.05 H new ATOM 0 HG2 GLN A 33 -2.634 12.476 -1.100 1.00 1.21 H new ATOM 0 HG3 GLN A 33 -2.545 11.676 0.456 1.00 1.21 H new ATOM 0 HE21 GLN A 33 -1.463 11.137 -2.997 1.00 3.92 H new ATOM 0 HE22 GLN A 33 0.098 10.460 -2.522 1.00 3.92 H new ATOM 579 N ALA A 34 -3.940 9.335 -4.043 1.00 0.46 N ATOM 580 CA ALA A 34 -3.361 8.796 -5.281 1.00 0.50 C ATOM 581 C ALA A 34 -3.911 9.503 -6.539 1.00 0.48 C ATOM 582 O ALA A 34 -3.173 9.868 -7.453 1.00 0.52 O ATOM 583 CB ALA A 34 -3.649 7.284 -5.320 1.00 0.73 C ATOM 0 H ALA A 34 -4.560 8.677 -3.571 1.00 0.46 H new ATOM 0 HA ALA A 34 -2.286 8.976 -5.284 1.00 0.50 H new ATOM 0 HB1 ALA A 34 -3.229 6.857 -6.231 1.00 0.73 H new ATOM 0 HB2 ALA A 34 -3.196 6.805 -4.452 1.00 0.73 H new ATOM 0 HB3 ALA A 34 -4.726 7.118 -5.305 1.00 0.73 H new ATOM 589 N GLN A 35 -5.223 9.717 -6.579 1.00 0.63 N ATOM 590 CA GLN A 35 -5.945 10.406 -7.650 1.00 0.83 C ATOM 591 C GLN A 35 -5.557 11.895 -7.722 1.00 0.82 C ATOM 592 O GLN A 35 -5.458 12.442 -8.821 1.00 0.88 O ATOM 593 CB GLN A 35 -7.456 10.221 -7.427 1.00 1.13 C ATOM 594 CG GLN A 35 -7.933 8.749 -7.467 1.00 1.05 C ATOM 595 CD GLN A 35 -8.174 8.162 -8.861 1.00 1.29 C ATOM 596 OE1 GLN A 35 -7.653 8.620 -9.871 1.00 1.91 O ATOM 597 NE2 GLN A 35 -8.967 7.112 -8.971 1.00 1.75 N ATOM 0 H GLN A 35 -5.842 9.401 -5.833 1.00 0.63 H new ATOM 0 HA GLN A 35 -5.671 9.971 -8.611 1.00 0.83 H new ATOM 0 HB2 GLN A 35 -7.724 10.651 -6.462 1.00 1.13 H new ATOM 0 HB3 GLN A 35 -7.995 10.786 -8.188 1.00 1.13 H new ATOM 0 HG2 GLN A 35 -7.192 8.133 -6.958 1.00 1.05 H new ATOM 0 HG3 GLN A 35 -8.858 8.671 -6.896 1.00 1.05 H new ATOM 0 HE21 GLN A 35 -9.409 6.718 -8.141 1.00 1.75 H new ATOM 0 HE22 GLN A 35 -9.137 6.695 -9.886 1.00 1.75 H new ATOM 606 N GLN A 36 -5.295 12.549 -6.580 1.00 0.85 N ATOM 607 CA GLN A 36 -4.895 13.960 -6.509 1.00 0.99 C ATOM 608 C GLN A 36 -3.579 14.233 -7.244 1.00 0.79 C ATOM 609 O GLN A 36 -3.441 15.293 -7.855 1.00 0.81 O ATOM 610 CB GLN A 36 -4.735 14.398 -5.035 1.00 1.26 C ATOM 611 CG GLN A 36 -5.988 15.072 -4.450 1.00 1.70 C ATOM 612 CD GLN A 36 -6.298 16.481 -4.986 1.00 2.14 C ATOM 613 OE1 GLN A 36 -7.286 17.098 -4.605 1.00 2.02 O ATOM 614 NE2 GLN A 36 -5.506 17.068 -5.867 1.00 3.13 N ATOM 0 H GLN A 36 -5.357 12.103 -5.665 1.00 0.85 H new ATOM 0 HA GLN A 36 -5.685 14.532 -6.996 1.00 0.99 H new ATOM 0 HB2 GLN A 36 -4.487 13.525 -4.431 1.00 1.26 H new ATOM 0 HB3 GLN A 36 -3.894 15.087 -4.959 1.00 1.26 H new ATOM 0 HG2 GLN A 36 -6.848 14.431 -4.646 1.00 1.70 H new ATOM 0 HG3 GLN A 36 -5.875 15.132 -3.368 1.00 1.70 H new ATOM 0 HE21 GLN A 36 -4.674 16.585 -6.207 1.00 3.13 H new ATOM 0 HE22 GLN A 36 -5.726 18.004 -6.207 1.00 3.13 H new ATOM 623 N LEU A 37 -2.623 13.298 -7.173 1.00 0.69 N ATOM 624 CA LEU A 37 -1.317 13.403 -7.836 1.00 0.62 C ATOM 625 C LEU A 37 -1.253 12.569 -9.133 1.00 0.64 C ATOM 626 O LEU A 37 -0.167 12.339 -9.667 1.00 0.90 O ATOM 627 CB LEU A 37 -0.186 13.065 -6.842 1.00 0.73 C ATOM 628 CG LEU A 37 -0.230 13.774 -5.467 1.00 0.85 C ATOM 629 CD1 LEU A 37 1.094 13.543 -4.721 1.00 1.59 C ATOM 630 CD2 LEU A 37 -0.483 15.286 -5.569 1.00 1.12 C ATOM 0 H LEU A 37 -2.737 12.433 -6.645 1.00 0.69 H new ATOM 0 HA LEU A 37 -1.174 14.436 -8.153 1.00 0.62 H new ATOM 0 HB2 LEU A 37 -0.196 11.989 -6.670 1.00 0.73 H new ATOM 0 HB3 LEU A 37 0.766 13.303 -7.317 1.00 0.73 H new ATOM 0 HG LEU A 37 -1.069 13.339 -4.924 1.00 0.85 H new ATOM 0 HD11 LEU A 37 1.059 14.044 -3.754 1.00 1.59 H new ATOM 0 HD12 LEU A 37 1.245 12.474 -4.571 1.00 1.59 H new ATOM 0 HD13 LEU A 37 1.918 13.947 -5.309 1.00 1.59 H new ATOM 0 HD21 LEU A 37 -0.502 15.720 -4.569 1.00 1.12 H new ATOM 0 HD22 LEU A 37 0.313 15.750 -6.151 1.00 1.12 H new ATOM 0 HD23 LEU A 37 -1.440 15.462 -6.059 1.00 1.12 H new ATOM 642 N GLU A 38 -2.415 12.149 -9.653 1.00 0.57 N ATOM 643 CA GLU A 38 -2.606 11.610 -11.007 1.00 0.63 C ATOM 644 C GLU A 38 -1.892 10.254 -11.227 1.00 0.87 C ATOM 645 O GLU A 38 -1.498 9.946 -12.352 1.00 1.28 O ATOM 646 CB GLU A 38 -2.145 12.678 -12.033 1.00 0.71 C ATOM 647 CG GLU A 38 -2.788 12.553 -13.425 1.00 1.38 C ATOM 648 CD GLU A 38 -1.998 13.348 -14.477 1.00 1.92 C ATOM 649 OE1 GLU A 38 -0.839 12.977 -14.781 1.00 3.03 O ATOM 650 OE2 GLU A 38 -2.535 14.344 -15.019 1.00 2.04 O ATOM 0 H GLU A 38 -3.284 12.177 -9.119 1.00 0.57 H new ATOM 0 HA GLU A 38 -3.666 11.396 -11.147 1.00 0.63 H new ATOM 0 HB2 GLU A 38 -2.368 13.667 -11.632 1.00 0.71 H new ATOM 0 HB3 GLU A 38 -1.062 12.615 -12.141 1.00 0.71 H new ATOM 0 HG2 GLU A 38 -2.831 11.503 -13.716 1.00 1.38 H new ATOM 0 HG3 GLU A 38 -3.815 12.916 -13.388 1.00 1.38 H new ATOM 657 N TYR A 39 -1.679 9.443 -10.176 1.00 0.77 N ATOM 658 CA TYR A 39 -0.623 8.411 -10.141 1.00 0.79 C ATOM 659 C TYR A 39 -0.662 7.427 -11.333 1.00 0.66 C ATOM 660 O TYR A 39 0.264 7.449 -12.148 1.00 0.64 O ATOM 661 CB TYR A 39 -0.689 7.642 -8.805 1.00 0.91 C ATOM 662 CG TYR A 39 0.295 8.084 -7.735 1.00 1.04 C ATOM 663 CD1 TYR A 39 0.042 9.234 -6.970 1.00 1.97 C ATOM 664 CD2 TYR A 39 1.439 7.308 -7.457 1.00 2.33 C ATOM 665 CE1 TYR A 39 0.896 9.588 -5.911 1.00 2.07 C ATOM 666 CE2 TYR A 39 2.331 7.687 -6.440 1.00 2.54 C ATOM 667 CZ TYR A 39 2.048 8.821 -5.656 1.00 1.57 C ATOM 668 OH TYR A 39 2.866 9.161 -4.631 1.00 1.92 O ATOM 0 H TYR A 39 -2.236 9.484 -9.322 1.00 0.77 H new ATOM 0 HA TYR A 39 0.326 8.940 -10.227 1.00 0.79 H new ATOM 0 HB2 TYR A 39 -1.698 7.735 -8.404 1.00 0.91 H new ATOM 0 HB3 TYR A 39 -0.524 6.584 -9.009 1.00 0.91 H new ATOM 0 HD1 TYR A 39 -0.815 9.851 -7.197 1.00 1.97 H new ATOM 0 HD2 TYR A 39 1.631 6.414 -8.031 1.00 2.33 H new ATOM 0 HE1 TYR A 39 0.669 10.446 -5.295 1.00 2.07 H new ATOM 0 HE2 TYR A 39 3.228 7.112 -6.261 1.00 2.54 H new ATOM 0 HH TYR A 39 3.471 8.415 -4.434 1.00 1.92 H new ATOM 678 N ASP A 40 -1.724 6.619 -11.431 1.00 0.64 N ATOM 679 CA ASP A 40 -1.968 5.477 -12.337 1.00 0.61 C ATOM 680 C ASP A 40 -2.964 4.542 -11.638 1.00 0.60 C ATOM 681 O ASP A 40 -4.125 4.476 -12.037 1.00 0.77 O ATOM 682 CB ASP A 40 -0.674 4.737 -12.743 1.00 0.68 C ATOM 683 CG ASP A 40 -0.882 3.331 -13.323 1.00 0.94 C ATOM 684 OD1 ASP A 40 -1.521 3.218 -14.395 1.00 1.88 O ATOM 685 OD2 ASP A 40 -0.352 2.369 -12.716 1.00 1.72 O ATOM 0 H ASP A 40 -2.523 6.760 -10.813 1.00 0.64 H new ATOM 0 HA ASP A 40 -2.380 5.845 -13.276 1.00 0.61 H new ATOM 0 HB2 ASP A 40 -0.144 5.342 -13.479 1.00 0.68 H new ATOM 0 HB3 ASP A 40 -0.028 4.660 -11.868 1.00 0.68 H new ATOM 690 N TYR A 41 -2.526 3.905 -10.544 1.00 0.49 N ATOM 691 CA TYR A 41 -3.307 2.977 -9.718 1.00 0.45 C ATOM 692 C TYR A 41 -2.771 2.855 -8.275 1.00 0.41 C ATOM 693 O TYR A 41 -1.664 3.287 -7.940 1.00 0.42 O ATOM 694 CB TYR A 41 -3.363 1.581 -10.372 1.00 0.48 C ATOM 695 CG TYR A 41 -4.158 1.452 -11.657 1.00 0.62 C ATOM 696 CD1 TYR A 41 -5.532 1.763 -11.668 1.00 2.53 C ATOM 697 CD2 TYR A 41 -3.545 0.961 -12.826 1.00 1.80 C ATOM 698 CE1 TYR A 41 -6.290 1.601 -12.843 1.00 2.71 C ATOM 699 CE2 TYR A 41 -4.293 0.805 -14.007 1.00 1.71 C ATOM 700 CZ TYR A 41 -5.671 1.118 -14.018 1.00 0.97 C ATOM 701 OH TYR A 41 -6.401 0.929 -15.154 1.00 1.15 O ATOM 0 H TYR A 41 -1.575 4.029 -10.196 1.00 0.49 H new ATOM 0 HA TYR A 41 -4.311 3.396 -9.656 1.00 0.45 H new ATOM 0 HB2 TYR A 41 -2.341 1.260 -10.573 1.00 0.48 H new ATOM 0 HB3 TYR A 41 -3.779 0.883 -9.645 1.00 0.48 H new ATOM 0 HD1 TYR A 41 -6.007 2.128 -10.769 1.00 2.53 H new ATOM 0 HD2 TYR A 41 -2.496 0.703 -12.816 1.00 1.80 H new ATOM 0 HE1 TYR A 41 -7.342 1.845 -12.847 1.00 2.71 H new ATOM 0 HE2 TYR A 41 -3.814 0.446 -14.906 1.00 1.71 H new ATOM 0 HH TYR A 41 -5.817 0.594 -15.866 1.00 1.15 H new ATOM 711 N TYR A 42 -3.584 2.248 -7.410 1.00 0.44 N ATOM 712 CA TYR A 42 -3.306 1.964 -6.000 1.00 0.41 C ATOM 713 C TYR A 42 -3.628 0.498 -5.651 1.00 0.38 C ATOM 714 O TYR A 42 -4.421 -0.156 -6.331 1.00 0.41 O ATOM 715 CB TYR A 42 -4.146 2.915 -5.128 1.00 0.48 C ATOM 716 CG TYR A 42 -5.640 2.824 -5.395 1.00 1.40 C ATOM 717 CD1 TYR A 42 -6.424 1.847 -4.747 1.00 2.37 C ATOM 718 CD2 TYR A 42 -6.230 3.670 -6.354 1.00 3.13 C ATOM 719 CE1 TYR A 42 -7.786 1.698 -5.076 1.00 3.23 C ATOM 720 CE2 TYR A 42 -7.589 3.529 -6.684 1.00 4.16 C ATOM 721 CZ TYR A 42 -8.372 2.539 -6.049 1.00 3.78 C ATOM 722 OH TYR A 42 -9.682 2.387 -6.386 1.00 4.97 O ATOM 0 H TYR A 42 -4.509 1.922 -7.690 1.00 0.44 H new ATOM 0 HA TYR A 42 -2.244 2.121 -5.809 1.00 0.41 H new ATOM 0 HB2 TYR A 42 -3.959 2.692 -4.078 1.00 0.48 H new ATOM 0 HB3 TYR A 42 -3.816 3.939 -5.300 1.00 0.48 H new ATOM 0 HD1 TYR A 42 -5.979 1.211 -3.996 1.00 2.37 H new ATOM 0 HD2 TYR A 42 -5.635 4.431 -6.838 1.00 3.13 H new ATOM 0 HE1 TYR A 42 -8.381 0.942 -4.585 1.00 3.23 H new ATOM 0 HE2 TYR A 42 -8.035 4.178 -7.423 1.00 4.16 H new ATOM 0 HH TYR A 42 -9.923 3.047 -7.069 1.00 4.97 H new ATOM 732 N SER A 43 -3.073 -0.006 -4.554 1.00 0.39 N ATOM 733 CA SER A 43 -3.422 -1.310 -3.978 1.00 0.40 C ATOM 734 C SER A 43 -3.445 -1.272 -2.439 1.00 0.46 C ATOM 735 O SER A 43 -2.685 -0.537 -1.796 1.00 0.50 O ATOM 736 CB SER A 43 -2.473 -2.409 -4.492 1.00 0.49 C ATOM 737 OG SER A 43 -1.147 -2.222 -4.027 1.00 1.36 O ATOM 0 H SER A 43 -2.353 0.487 -4.026 1.00 0.39 H new ATOM 0 HA SER A 43 -4.433 -1.551 -4.307 1.00 0.40 H new ATOM 0 HB2 SER A 43 -2.837 -3.384 -4.168 1.00 0.49 H new ATOM 0 HB3 SER A 43 -2.478 -2.413 -5.582 1.00 0.49 H new ATOM 0 HG SER A 43 -0.575 -2.939 -4.372 1.00 1.36 H new ATOM 743 N LEU A 44 -4.327 -2.090 -1.855 1.00 0.52 N ATOM 744 CA LEU A 44 -4.462 -2.363 -0.424 1.00 0.58 C ATOM 745 C LEU A 44 -4.251 -3.867 -0.209 1.00 0.46 C ATOM 746 O LEU A 44 -4.719 -4.677 -1.011 1.00 0.52 O ATOM 747 CB LEU A 44 -5.884 -1.968 0.031 1.00 0.82 C ATOM 748 CG LEU A 44 -6.043 -1.865 1.567 1.00 0.72 C ATOM 749 CD1 LEU A 44 -5.708 -0.456 2.054 1.00 1.58 C ATOM 750 CD2 LEU A 44 -7.468 -2.202 1.999 1.00 1.49 C ATOM 0 H LEU A 44 -5.008 -2.611 -2.406 1.00 0.52 H new ATOM 0 HA LEU A 44 -3.731 -1.794 0.151 1.00 0.58 H new ATOM 0 HB2 LEU A 44 -6.145 -1.009 -0.417 1.00 0.82 H new ATOM 0 HB3 LEU A 44 -6.594 -2.702 -0.350 1.00 0.82 H new ATOM 0 HG LEU A 44 -5.352 -2.583 2.009 1.00 0.72 H new ATOM 0 HD11 LEU A 44 -5.827 -0.407 3.136 1.00 1.58 H new ATOM 0 HD12 LEU A 44 -4.678 -0.215 1.791 1.00 1.58 H new ATOM 0 HD13 LEU A 44 -6.380 0.261 1.583 1.00 1.58 H new ATOM 0 HD21 LEU A 44 -7.548 -2.121 3.083 1.00 1.49 H new ATOM 0 HD22 LEU A 44 -8.164 -1.507 1.530 1.00 1.49 H new ATOM 0 HD23 LEU A 44 -7.710 -3.220 1.692 1.00 1.49 H new ATOM 762 N CYS A 45 -3.604 -4.248 0.891 1.00 0.49 N ATOM 763 CA CYS A 45 -3.514 -5.631 1.356 1.00 0.45 C ATOM 764 C CYS A 45 -3.801 -5.701 2.864 1.00 0.45 C ATOM 765 O CYS A 45 -3.404 -4.805 3.611 1.00 0.58 O ATOM 766 CB CYS A 45 -2.126 -6.173 0.990 1.00 0.63 C ATOM 767 SG CYS A 45 -2.051 -7.953 1.343 1.00 1.21 S ATOM 0 H CYS A 45 -3.117 -3.589 1.498 1.00 0.49 H new ATOM 0 HA CYS A 45 -4.264 -6.256 0.871 1.00 0.45 H new ATOM 0 HB2 CYS A 45 -1.921 -5.993 -0.065 1.00 0.63 H new ATOM 0 HB3 CYS A 45 -1.358 -5.647 1.558 1.00 0.63 H new ATOM 0 HG CYS A 45 -0.874 -8.408 1.030 1.00 1.21 H new ATOM 773 N VAL A 46 -4.481 -6.756 3.305 1.00 0.41 N ATOM 774 CA VAL A 46 -4.830 -7.010 4.715 1.00 0.46 C ATOM 775 C VAL A 46 -4.590 -8.486 5.039 1.00 0.52 C ATOM 776 O VAL A 46 -4.830 -9.336 4.181 1.00 0.56 O ATOM 777 CB VAL A 46 -6.292 -6.563 5.016 1.00 0.52 C ATOM 778 CG1 VAL A 46 -7.335 -7.693 5.103 1.00 1.61 C ATOM 779 CG2 VAL A 46 -6.344 -5.741 6.313 1.00 1.91 C ATOM 0 H VAL A 46 -4.819 -7.486 2.677 1.00 0.41 H new ATOM 0 HA VAL A 46 -4.188 -6.415 5.364 1.00 0.46 H new ATOM 0 HB VAL A 46 -6.571 -5.967 4.147 1.00 0.52 H new ATOM 0 HG11 VAL A 46 -8.316 -7.267 5.316 1.00 1.61 H new ATOM 0 HG12 VAL A 46 -7.370 -8.229 4.155 1.00 1.61 H new ATOM 0 HG13 VAL A 46 -7.058 -8.383 5.900 1.00 1.61 H new ATOM 0 HG21 VAL A 46 -7.372 -5.436 6.510 1.00 1.91 H new ATOM 0 HG22 VAL A 46 -5.980 -6.347 7.143 1.00 1.91 H new ATOM 0 HG23 VAL A 46 -5.717 -4.856 6.208 1.00 1.91 H new ATOM 789 N ARG A 47 -4.134 -8.794 6.261 1.00 0.56 N ATOM 790 CA ARG A 47 -3.886 -10.176 6.696 1.00 0.62 C ATOM 791 C ARG A 47 -3.881 -10.364 8.220 1.00 0.76 C ATOM 792 O ARG A 47 -3.058 -9.789 8.936 1.00 1.05 O ATOM 793 CB ARG A 47 -2.581 -10.707 6.068 1.00 0.84 C ATOM 794 CG ARG A 47 -1.357 -9.777 6.225 1.00 1.79 C ATOM 795 CD ARG A 47 -0.114 -10.511 6.735 1.00 1.72 C ATOM 796 NE ARG A 47 -0.266 -10.894 8.150 1.00 3.72 N ATOM 797 CZ ARG A 47 0.636 -11.524 8.895 1.00 4.74 C ATOM 798 NH1 ARG A 47 1.780 -11.953 8.403 1.00 4.12 N ATOM 799 NH2 ARG A 47 0.399 -11.721 10.173 1.00 6.76 N ATOM 0 H ARG A 47 -3.927 -8.095 6.974 1.00 0.56 H new ATOM 0 HA ARG A 47 -4.731 -10.764 6.337 1.00 0.62 H new ATOM 0 HB2 ARG A 47 -2.346 -11.672 6.517 1.00 0.84 H new ATOM 0 HB3 ARG A 47 -2.751 -10.883 5.006 1.00 0.84 H new ATOM 0 HG2 ARG A 47 -1.132 -9.316 5.264 1.00 1.79 H new ATOM 0 HG3 ARG A 47 -1.606 -8.971 6.915 1.00 1.79 H new ATOM 0 HD2 ARG A 47 0.059 -11.402 6.131 1.00 1.72 H new ATOM 0 HD3 ARG A 47 0.762 -9.872 6.620 1.00 1.72 H new ATOM 0 HE ARG A 47 -1.148 -10.652 8.601 1.00 3.72 H new ATOM 0 HH11 ARG A 47 1.999 -11.805 7.418 1.00 4.12 H new ATOM 0 HH12 ARG A 47 2.447 -12.433 9.007 1.00 4.12 H new ATOM 0 HH21 ARG A 47 -0.473 -11.391 10.587 1.00 6.76 H new ATOM 0 HH22 ARG A 47 1.087 -12.204 10.751 1.00 6.76 H new ATOM 813 N HIS A 48 -4.750 -11.246 8.718 1.00 0.80 N ATOM 814 CA HIS A 48 -5.004 -11.461 10.150 1.00 0.94 C ATOM 815 C HIS A 48 -4.492 -12.843 10.620 1.00 1.06 C ATOM 816 O HIS A 48 -4.930 -13.868 10.075 1.00 1.16 O ATOM 817 CB HIS A 48 -6.518 -11.325 10.399 1.00 1.08 C ATOM 818 CG HIS A 48 -6.915 -10.957 11.813 1.00 2.60 C ATOM 819 ND1 HIS A 48 -7.846 -10.000 12.134 1.00 3.23 N ATOM 820 CD2 HIS A 48 -6.472 -11.489 12.998 1.00 4.35 C ATOM 821 CE1 HIS A 48 -7.943 -9.930 13.470 1.00 4.95 C ATOM 822 NE2 HIS A 48 -7.113 -10.818 14.048 1.00 5.71 N ATOM 0 H HIS A 48 -5.315 -11.850 8.121 1.00 0.80 H new ATOM 0 HA HIS A 48 -4.460 -10.713 10.727 1.00 0.94 H new ATOM 0 HB2 HIS A 48 -6.914 -10.569 9.721 1.00 1.08 H new ATOM 0 HB3 HIS A 48 -6.998 -12.269 10.139 1.00 1.08 H new ATOM 0 HD2 HIS A 48 -5.753 -12.288 13.103 1.00 4.35 H new ATOM 0 HE1 HIS A 48 -8.595 -9.256 14.006 1.00 4.95 H new ATOM 0 HE2 HIS A 48 -6.978 -10.971 15.047 1.00 5.71 H new ATOM 830 N PRO A 49 -3.615 -12.920 11.645 1.00 1.14 N ATOM 831 CA PRO A 49 -3.131 -14.189 12.180 1.00 1.31 C ATOM 832 C PRO A 49 -4.190 -14.836 13.094 1.00 1.26 C ATOM 833 O PRO A 49 -4.057 -14.856 14.318 1.00 1.46 O ATOM 834 CB PRO A 49 -1.813 -13.842 12.885 1.00 1.48 C ATOM 835 CG PRO A 49 -2.056 -12.423 13.399 1.00 1.40 C ATOM 836 CD PRO A 49 -2.956 -11.807 12.325 1.00 1.20 C ATOM 0 HA PRO A 49 -2.953 -14.944 11.414 1.00 1.31 H new ATOM 0 HB2 PRO A 49 -1.597 -14.534 13.699 1.00 1.48 H new ATOM 0 HB3 PRO A 49 -0.967 -13.883 12.199 1.00 1.48 H new ATOM 0 HG2 PRO A 49 -2.540 -12.427 14.376 1.00 1.40 H new ATOM 0 HG3 PRO A 49 -1.123 -11.870 13.508 1.00 1.40 H new ATOM 0 HD2 PRO A 49 -3.690 -11.137 12.772 1.00 1.20 H new ATOM 0 HD3 PRO A 49 -2.371 -11.215 11.622 1.00 1.20 H new ATOM 844 N VAL A 50 -5.259 -15.371 12.492 1.00 1.21 N ATOM 845 CA VAL A 50 -6.368 -16.030 13.214 1.00 1.22 C ATOM 846 C VAL A 50 -5.870 -17.333 13.884 1.00 1.37 C ATOM 847 O VAL A 50 -5.178 -18.111 13.223 1.00 1.56 O ATOM 848 CB VAL A 50 -7.560 -16.356 12.278 1.00 1.31 C ATOM 849 CG1 VAL A 50 -8.732 -17.023 13.023 1.00 1.49 C ATOM 850 CG2 VAL A 50 -8.101 -15.098 11.580 1.00 1.22 C ATOM 0 H VAL A 50 -5.385 -15.361 11.480 1.00 1.21 H new ATOM 0 HA VAL A 50 -6.717 -15.331 13.974 1.00 1.22 H new ATOM 0 HB VAL A 50 -7.159 -17.051 11.540 1.00 1.31 H new ATOM 0 HG11 VAL A 50 -9.539 -17.230 12.320 1.00 1.49 H new ATOM 0 HG12 VAL A 50 -8.394 -17.957 13.472 1.00 1.49 H new ATOM 0 HG13 VAL A 50 -9.093 -16.355 13.805 1.00 1.49 H new ATOM 0 HG21 VAL A 50 -8.935 -15.371 10.934 1.00 1.22 H new ATOM 0 HG22 VAL A 50 -8.441 -14.384 12.330 1.00 1.22 H new ATOM 0 HG23 VAL A 50 -7.311 -14.646 10.981 1.00 1.22 H new ATOM 860 N PRO A 51 -6.203 -17.593 15.168 1.00 1.38 N ATOM 861 CA PRO A 51 -5.782 -18.803 15.877 1.00 1.56 C ATOM 862 C PRO A 51 -6.761 -19.981 15.729 1.00 1.66 C ATOM 863 O PRO A 51 -6.341 -21.135 15.772 1.00 1.84 O ATOM 864 CB PRO A 51 -5.647 -18.364 17.337 1.00 1.60 C ATOM 865 CG PRO A 51 -6.695 -17.266 17.493 1.00 1.46 C ATOM 866 CD PRO A 51 -6.784 -16.636 16.101 1.00 1.32 C ATOM 0 HA PRO A 51 -4.852 -19.190 15.461 1.00 1.56 H new ATOM 0 HB2 PRO A 51 -5.832 -19.192 18.021 1.00 1.60 H new ATOM 0 HB3 PRO A 51 -4.645 -17.992 17.551 1.00 1.60 H new ATOM 0 HG2 PRO A 51 -7.656 -17.673 17.809 1.00 1.46 H new ATOM 0 HG3 PRO A 51 -6.397 -16.534 18.244 1.00 1.46 H new ATOM 0 HD2 PRO A 51 -7.820 -16.421 15.839 1.00 1.32 H new ATOM 0 HD3 PRO A 51 -6.245 -15.689 16.070 1.00 1.32 H new ATOM 874 N PHE A 52 -8.055 -19.700 15.533 1.00 1.60 N ATOM 875 CA PHE A 52 -9.127 -20.697 15.383 1.00 1.78 C ATOM 876 C PHE A 52 -9.211 -21.321 13.975 1.00 1.92 C ATOM 877 O PHE A 52 -9.927 -22.308 13.781 1.00 2.15 O ATOM 878 CB PHE A 52 -10.469 -20.027 15.733 1.00 1.75 C ATOM 879 CG PHE A 52 -10.680 -19.768 17.213 1.00 1.72 C ATOM 880 CD1 PHE A 52 -10.266 -18.555 17.793 1.00 2.56 C ATOM 881 CD2 PHE A 52 -11.309 -20.744 18.011 1.00 2.57 C ATOM 882 CE1 PHE A 52 -10.476 -18.320 19.164 1.00 2.61 C ATOM 883 CE2 PHE A 52 -11.525 -20.508 19.380 1.00 2.61 C ATOM 884 CZ PHE A 52 -11.108 -19.295 19.957 1.00 1.84 C ATOM 0 H PHE A 52 -8.398 -18.741 15.472 1.00 1.60 H new ATOM 0 HA PHE A 52 -8.898 -21.519 16.061 1.00 1.78 H new ATOM 0 HB2 PHE A 52 -10.537 -19.079 15.199 1.00 1.75 H new ATOM 0 HB3 PHE A 52 -11.280 -20.657 15.369 1.00 1.75 H new ATOM 0 HD1 PHE A 52 -9.786 -17.803 17.185 1.00 2.56 H new ATOM 0 HD2 PHE A 52 -11.626 -21.677 17.569 1.00 2.57 H new ATOM 0 HE1 PHE A 52 -10.152 -17.390 19.608 1.00 2.61 H new ATOM 0 HE2 PHE A 52 -12.011 -21.257 19.988 1.00 2.61 H new ATOM 0 HZ PHE A 52 -11.273 -19.112 21.009 1.00 1.84 H new ATOM 894 N THR A 53 -8.524 -20.733 12.989 1.00 1.81 N ATOM 895 CA THR A 53 -8.609 -21.059 11.556 1.00 1.86 C ATOM 896 C THR A 53 -7.273 -20.761 10.880 1.00 1.75 C ATOM 897 O THR A 53 -6.483 -19.983 11.414 1.00 1.60 O ATOM 898 CB THR A 53 -9.825 -20.317 10.954 1.00 1.83 C ATOM 899 OG1 THR A 53 -10.703 -21.288 10.437 1.00 2.24 O ATOM 900 CG2 THR A 53 -9.554 -19.305 9.837 1.00 1.72 C ATOM 0 H THR A 53 -7.861 -19.980 13.175 1.00 1.81 H new ATOM 0 HA THR A 53 -8.783 -22.122 11.388 1.00 1.86 H new ATOM 0 HB THR A 53 -10.221 -19.724 11.779 1.00 1.83 H new ATOM 0 HG1 THR A 53 -11.487 -20.847 10.049 1.00 2.24 H new ATOM 0 HG21 THR A 53 -10.495 -18.862 9.511 1.00 1.72 H new ATOM 0 HG22 THR A 53 -8.894 -18.521 10.208 1.00 1.72 H new ATOM 0 HG23 THR A 53 -9.080 -19.810 8.996 1.00 1.72 H new ATOM 908 N ARG A 54 -7.008 -21.337 9.701 1.00 1.93 N ATOM 909 CA ARG A 54 -5.787 -21.017 8.940 1.00 1.91 C ATOM 910 C ARG A 54 -5.831 -19.532 8.512 1.00 1.55 C ATOM 911 O ARG A 54 -6.883 -19.072 8.053 1.00 1.43 O ATOM 912 CB ARG A 54 -5.616 -21.937 7.721 1.00 2.23 C ATOM 913 CG ARG A 54 -4.833 -23.235 7.994 1.00 2.90 C ATOM 914 CD ARG A 54 -5.334 -24.047 9.198 1.00 2.48 C ATOM 915 NE ARG A 54 -4.983 -25.477 9.081 1.00 2.84 N ATOM 916 CZ ARG A 54 -3.794 -26.042 9.272 1.00 3.30 C ATOM 917 NH1 ARG A 54 -2.734 -25.350 9.633 1.00 3.68 N ATOM 918 NH2 ARG A 54 -3.657 -27.339 9.095 1.00 3.64 N ATOM 0 H ARG A 54 -7.616 -22.023 9.253 1.00 1.93 H new ATOM 0 HA ARG A 54 -4.922 -21.185 9.582 1.00 1.91 H new ATOM 0 HB2 ARG A 54 -6.603 -22.199 7.340 1.00 2.23 H new ATOM 0 HB3 ARG A 54 -5.107 -21.382 6.933 1.00 2.23 H new ATOM 0 HG2 ARG A 54 -4.878 -23.864 7.105 1.00 2.90 H new ATOM 0 HG3 ARG A 54 -3.784 -22.984 8.154 1.00 2.90 H new ATOM 0 HD2 ARG A 54 -4.904 -23.641 10.114 1.00 2.48 H new ATOM 0 HD3 ARG A 54 -6.416 -23.944 9.281 1.00 2.48 H new ATOM 0 HE ARG A 54 -5.743 -26.106 8.823 1.00 2.84 H new ATOM 0 HH11 ARG A 54 -2.807 -24.343 9.776 1.00 3.68 H new ATOM 0 HH12 ARG A 54 -1.840 -25.821 9.769 1.00 3.68 H new ATOM 0 HH21 ARG A 54 -4.459 -27.903 8.813 1.00 3.64 H new ATOM 0 HH22 ARG A 54 -2.749 -27.780 9.239 1.00 3.64 H new ATOM 932 N PRO A 55 -4.730 -18.772 8.679 1.00 1.50 N ATOM 933 CA PRO A 55 -4.748 -17.315 8.609 1.00 1.29 C ATOM 934 C PRO A 55 -5.001 -16.829 7.181 1.00 1.22 C ATOM 935 O PRO A 55 -4.627 -17.484 6.207 1.00 1.39 O ATOM 936 CB PRO A 55 -3.404 -16.857 9.181 1.00 1.53 C ATOM 937 CG PRO A 55 -2.475 -18.039 8.906 1.00 1.86 C ATOM 938 CD PRO A 55 -3.401 -19.250 9.023 1.00 1.82 C ATOM 0 HA PRO A 55 -5.566 -16.884 9.187 1.00 1.29 H new ATOM 0 HB2 PRO A 55 -3.050 -15.948 8.695 1.00 1.53 H new ATOM 0 HB3 PRO A 55 -3.474 -16.642 10.247 1.00 1.53 H new ATOM 0 HG2 PRO A 55 -2.022 -17.973 7.917 1.00 1.86 H new ATOM 0 HG3 PRO A 55 -1.659 -18.085 9.627 1.00 1.86 H new ATOM 0 HD2 PRO A 55 -3.087 -20.048 8.350 1.00 1.82 H new ATOM 0 HD3 PRO A 55 -3.383 -19.659 10.033 1.00 1.82 H new ATOM 946 N LYS A 56 -5.676 -15.682 7.068 1.00 1.08 N ATOM 947 CA LYS A 56 -6.269 -15.203 5.810 1.00 1.06 C ATOM 948 C LYS A 56 -5.546 -13.963 5.249 1.00 0.83 C ATOM 949 O LYS A 56 -4.958 -13.186 6.003 1.00 0.81 O ATOM 950 CB LYS A 56 -7.769 -14.909 6.041 1.00 1.37 C ATOM 951 CG LYS A 56 -8.616 -16.115 6.495 1.00 1.71 C ATOM 952 CD LYS A 56 -8.652 -17.260 5.466 1.00 2.25 C ATOM 953 CE LYS A 56 -9.548 -18.426 5.915 1.00 3.19 C ATOM 954 NZ LYS A 56 -10.997 -18.092 5.867 1.00 4.08 N ATOM 0 H LYS A 56 -5.830 -15.051 7.854 1.00 1.08 H new ATOM 0 HA LYS A 56 -6.154 -15.986 5.060 1.00 1.06 H new ATOM 0 HB2 LYS A 56 -7.857 -14.122 6.790 1.00 1.37 H new ATOM 0 HB3 LYS A 56 -8.192 -14.517 5.116 1.00 1.37 H new ATOM 0 HG2 LYS A 56 -8.218 -16.495 7.436 1.00 1.71 H new ATOM 0 HG3 LYS A 56 -9.635 -15.781 6.691 1.00 1.71 H new ATOM 0 HD2 LYS A 56 -9.012 -16.876 4.512 1.00 2.25 H new ATOM 0 HD3 LYS A 56 -7.639 -17.627 5.300 1.00 2.25 H new ATOM 0 HE2 LYS A 56 -9.358 -19.290 5.278 1.00 3.19 H new ATOM 0 HE3 LYS A 56 -9.280 -18.714 6.932 1.00 3.19 H new ATOM 0 HZ1 LYS A 56 -11.553 -18.913 6.180 1.00 4.08 H new ATOM 0 HZ2 LYS A 56 -11.188 -17.285 6.495 1.00 4.08 H new ATOM 0 HZ3 LYS A 56 -11.264 -17.844 4.893 1.00 4.08 H new ATOM 968 N VAL A 57 -5.630 -13.767 3.928 1.00 0.77 N ATOM 969 CA VAL A 57 -5.110 -12.595 3.195 1.00 0.61 C ATOM 970 C VAL A 57 -6.181 -12.102 2.212 1.00 0.57 C ATOM 971 O VAL A 57 -6.793 -12.911 1.514 1.00 0.68 O ATOM 972 CB VAL A 57 -3.811 -12.915 2.407 1.00 0.68 C ATOM 973 CG1 VAL A 57 -3.190 -11.643 1.799 1.00 1.58 C ATOM 974 CG2 VAL A 57 -2.745 -13.614 3.271 1.00 2.09 C ATOM 0 H VAL A 57 -6.079 -14.444 3.311 1.00 0.77 H new ATOM 0 HA VAL A 57 -4.869 -11.828 3.931 1.00 0.61 H new ATOM 0 HB VAL A 57 -4.116 -13.596 1.613 1.00 0.68 H new ATOM 0 HG11 VAL A 57 -2.283 -11.905 1.255 1.00 1.58 H new ATOM 0 HG12 VAL A 57 -3.902 -11.181 1.115 1.00 1.58 H new ATOM 0 HG13 VAL A 57 -2.945 -10.941 2.596 1.00 1.58 H new ATOM 0 HG21 VAL A 57 -1.860 -13.813 2.667 1.00 2.09 H new ATOM 0 HG22 VAL A 57 -2.476 -12.970 4.108 1.00 2.09 H new ATOM 0 HG23 VAL A 57 -3.144 -14.555 3.650 1.00 2.09 H new ATOM 984 N ALA A 58 -6.377 -10.782 2.135 1.00 0.47 N ATOM 985 CA ALA A 58 -7.159 -10.119 1.088 1.00 0.49 C ATOM 986 C ALA A 58 -6.349 -8.985 0.443 1.00 0.49 C ATOM 987 O ALA A 58 -5.663 -8.231 1.144 1.00 0.39 O ATOM 988 CB ALA A 58 -8.469 -9.578 1.680 1.00 0.52 C ATOM 0 H ALA A 58 -5.987 -10.130 2.815 1.00 0.47 H new ATOM 0 HA ALA A 58 -7.397 -10.847 0.312 1.00 0.49 H new ATOM 0 HB1 ALA A 58 -9.046 -9.086 0.897 1.00 0.52 H new ATOM 0 HB2 ALA A 58 -9.049 -10.403 2.095 1.00 0.52 H new ATOM 0 HB3 ALA A 58 -8.243 -8.861 2.469 1.00 0.52 H new ATOM 994 N PHE A 59 -6.475 -8.851 -0.880 1.00 0.74 N ATOM 995 CA PHE A 59 -5.949 -7.740 -1.676 1.00 0.64 C ATOM 996 C PHE A 59 -7.084 -7.037 -2.441 1.00 0.59 C ATOM 997 O PHE A 59 -8.004 -7.686 -2.941 1.00 0.67 O ATOM 998 CB PHE A 59 -4.826 -8.235 -2.612 1.00 0.61 C ATOM 999 CG PHE A 59 -5.139 -9.447 -3.486 1.00 0.66 C ATOM 1000 CD1 PHE A 59 -5.934 -9.310 -4.642 1.00 1.93 C ATOM 1001 CD2 PHE A 59 -4.618 -10.717 -3.158 1.00 1.87 C ATOM 1002 CE1 PHE A 59 -6.241 -10.431 -5.434 1.00 2.12 C ATOM 1003 CE2 PHE A 59 -4.933 -11.839 -3.946 1.00 1.81 C ATOM 1004 CZ PHE A 59 -5.750 -11.699 -5.079 1.00 0.99 C ATOM 0 H PHE A 59 -6.966 -9.541 -1.448 1.00 0.74 H new ATOM 0 HA PHE A 59 -5.509 -6.999 -1.009 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -4.541 -7.410 -3.265 1.00 0.61 H new ATOM 0 HB3 PHE A 59 -3.955 -8.473 -2.001 1.00 0.61 H new ATOM 0 HD1 PHE A 59 -6.310 -8.337 -4.922 1.00 1.93 H new ATOM 0 HD2 PHE A 59 -3.974 -10.828 -2.298 1.00 1.87 H new ATOM 0 HE1 PHE A 59 -6.854 -10.317 -6.316 1.00 2.12 H new ATOM 0 HE2 PHE A 59 -4.545 -12.811 -3.679 1.00 1.81 H new ATOM 0 HZ PHE A 59 -6.000 -12.563 -5.676 1.00 0.99 H new ATOM 1014 N TYR A 60 -7.004 -5.706 -2.553 1.00 0.53 N ATOM 1015 CA TYR A 60 -7.943 -4.858 -3.307 1.00 0.61 C ATOM 1016 C TYR A 60 -7.185 -3.824 -4.160 1.00 0.56 C ATOM 1017 O TYR A 60 -6.155 -3.295 -3.731 1.00 0.54 O ATOM 1018 CB TYR A 60 -8.909 -4.126 -2.357 1.00 0.69 C ATOM 1019 CG TYR A 60 -9.679 -5.009 -1.393 1.00 0.71 C ATOM 1020 CD1 TYR A 60 -10.447 -6.088 -1.873 1.00 2.36 C ATOM 1021 CD2 TYR A 60 -9.629 -4.749 -0.010 1.00 1.73 C ATOM 1022 CE1 TYR A 60 -11.121 -6.933 -0.974 1.00 2.38 C ATOM 1023 CE2 TYR A 60 -10.311 -5.584 0.897 1.00 1.72 C ATOM 1024 CZ TYR A 60 -11.054 -6.688 0.416 1.00 0.73 C ATOM 1025 OH TYR A 60 -11.706 -7.512 1.284 1.00 0.77 O ATOM 0 H TYR A 60 -6.260 -5.169 -2.107 1.00 0.53 H new ATOM 0 HA TYR A 60 -8.517 -5.511 -3.964 1.00 0.61 H new ATOM 0 HB2 TYR A 60 -8.339 -3.399 -1.779 1.00 0.69 H new ATOM 0 HB3 TYR A 60 -9.625 -3.565 -2.958 1.00 0.69 H new ATOM 0 HD1 TYR A 60 -10.518 -6.267 -2.936 1.00 2.36 H new ATOM 0 HD2 TYR A 60 -9.065 -3.905 0.358 1.00 1.73 H new ATOM 0 HE1 TYR A 60 -11.691 -7.771 -1.347 1.00 2.38 H new ATOM 0 HE2 TYR A 60 -10.267 -5.382 1.957 1.00 1.72 H new ATOM 0 HH TYR A 60 -11.557 -7.204 2.202 1.00 0.77 H new ATOM 1035 N THR A 61 -7.693 -3.526 -5.363 1.00 0.55 N ATOM 1036 CA THR A 61 -7.049 -2.656 -6.366 1.00 0.50 C ATOM 1037 C THR A 61 -7.996 -2.340 -7.522 1.00 0.60 C ATOM 1038 O THR A 61 -8.939 -3.087 -7.785 1.00 0.67 O ATOM 1039 CB THR A 61 -5.723 -3.269 -6.847 1.00 0.43 C ATOM 1040 OG1 THR A 61 -5.133 -2.391 -7.768 1.00 0.72 O ATOM 1041 CG2 THR A 61 -5.881 -4.632 -7.522 1.00 0.62 C ATOM 0 H THR A 61 -8.591 -3.893 -5.678 1.00 0.55 H new ATOM 0 HA THR A 61 -6.812 -1.704 -5.891 1.00 0.50 H new ATOM 0 HB THR A 61 -5.108 -3.419 -5.960 1.00 0.43 H new ATOM 0 HG1 THR A 61 -4.543 -2.894 -8.368 1.00 0.72 H new ATOM 0 HG21 THR A 61 -4.903 -4.999 -7.834 1.00 0.62 H new ATOM 0 HG22 THR A 61 -6.326 -5.336 -6.820 1.00 0.62 H new ATOM 0 HG23 THR A 61 -6.526 -4.533 -8.395 1.00 0.62 H new ATOM 1049 N ASN A 62 -7.729 -1.233 -8.218 1.00 0.65 N ATOM 1050 CA ASN A 62 -8.400 -0.829 -9.457 1.00 0.76 C ATOM 1051 C ASN A 62 -7.638 -1.281 -10.730 1.00 0.75 C ATOM 1052 O ASN A 62 -8.005 -0.887 -11.840 1.00 0.86 O ATOM 1053 CB ASN A 62 -8.611 0.695 -9.417 1.00 0.87 C ATOM 1054 CG ASN A 62 -9.899 1.124 -10.109 1.00 1.58 C ATOM 1055 OD1 ASN A 62 -9.913 1.543 -11.260 1.00 2.12 O ATOM 1056 ND2 ASN A 62 -11.022 1.035 -9.415 1.00 2.88 N ATOM 0 H ASN A 62 -7.013 -0.568 -7.924 1.00 0.65 H new ATOM 0 HA ASN A 62 -9.365 -1.332 -9.517 1.00 0.76 H new ATOM 0 HB2 ASN A 62 -8.631 1.029 -8.380 1.00 0.87 H new ATOM 0 HB3 ASN A 62 -7.764 1.188 -9.894 1.00 0.87 H new ATOM 0 HD21 ASN A 62 -11.907 1.316 -9.838 1.00 2.88 H new ATOM 0 HD22 ASN A 62 -11.003 0.685 -8.457 1.00 2.88 H new ATOM 1063 N TYR A 63 -6.584 -2.103 -10.594 1.00 0.64 N ATOM 1064 CA TYR A 63 -5.732 -2.581 -11.698 1.00 0.55 C ATOM 1065 C TYR A 63 -6.528 -3.231 -12.865 1.00 0.58 C ATOM 1066 O TYR A 63 -7.607 -3.794 -12.634 1.00 0.64 O ATOM 1067 CB TYR A 63 -4.759 -3.646 -11.154 1.00 0.49 C ATOM 1068 CG TYR A 63 -3.593 -3.250 -10.265 1.00 0.46 C ATOM 1069 CD1 TYR A 63 -3.086 -1.936 -10.224 1.00 1.67 C ATOM 1070 CD2 TYR A 63 -2.994 -4.250 -9.471 1.00 1.80 C ATOM 1071 CE1 TYR A 63 -2.025 -1.610 -9.357 1.00 1.68 C ATOM 1072 CE2 TYR A 63 -1.939 -3.930 -8.597 1.00 1.80 C ATOM 1073 CZ TYR A 63 -1.450 -2.606 -8.537 1.00 0.49 C ATOM 1074 OH TYR A 63 -0.418 -2.290 -7.704 1.00 0.56 O ATOM 0 H TYR A 63 -6.292 -2.464 -9.686 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.219 -1.703 -12.091 1.00 0.55 H new ATOM 0 HB2 TYR A 63 -5.354 -4.370 -10.598 1.00 0.49 H new ATOM 0 HB3 TYR A 63 -4.343 -4.169 -12.015 1.00 0.49 H new ATOM 0 HD1 TYR A 63 -3.513 -1.175 -10.860 1.00 1.67 H new ATOM 0 HD2 TYR A 63 -3.348 -5.268 -9.534 1.00 1.80 H new ATOM 0 HE1 TYR A 63 -1.651 -0.598 -9.319 1.00 1.68 H new ATOM 0 HE2 TYR A 63 -1.503 -4.696 -7.972 1.00 1.80 H new ATOM 0 HH TYR A 63 -0.140 -3.089 -7.210 1.00 0.56 H new ATOM 1084 N PRO A 64 -5.990 -3.203 -14.107 1.00 0.54 N ATOM 1085 CA PRO A 64 -6.635 -3.784 -15.278 1.00 0.57 C ATOM 1086 C PRO A 64 -6.729 -5.303 -15.139 1.00 0.56 C ATOM 1087 O PRO A 64 -5.811 -5.944 -14.626 1.00 0.52 O ATOM 1088 CB PRO A 64 -5.796 -3.369 -16.493 1.00 0.55 C ATOM 1089 CG PRO A 64 -4.425 -3.026 -15.912 1.00 0.50 C ATOM 1090 CD PRO A 64 -4.738 -2.572 -14.491 1.00 0.50 C ATOM 0 HA PRO A 64 -7.658 -3.426 -15.391 1.00 0.57 H new ATOM 0 HB2 PRO A 64 -5.727 -4.176 -17.222 1.00 0.55 H new ATOM 0 HB3 PRO A 64 -6.235 -2.513 -17.005 1.00 0.55 H new ATOM 0 HG2 PRO A 64 -3.760 -3.889 -15.919 1.00 0.50 H new ATOM 0 HG3 PRO A 64 -3.933 -2.240 -16.484 1.00 0.50 H new ATOM 0 HD2 PRO A 64 -3.937 -2.859 -13.810 1.00 0.50 H new ATOM 0 HD3 PRO A 64 -4.823 -1.486 -14.443 1.00 0.50 H new ATOM 1098 N GLU A 65 -7.831 -5.888 -15.619 1.00 0.62 N ATOM 1099 CA GLU A 65 -8.116 -7.314 -15.448 1.00 0.65 C ATOM 1100 C GLU A 65 -7.035 -8.213 -16.072 1.00 0.62 C ATOM 1101 O GLU A 65 -6.779 -9.303 -15.569 1.00 0.61 O ATOM 1102 CB GLU A 65 -9.515 -7.634 -16.000 1.00 0.73 C ATOM 1103 CG GLU A 65 -9.567 -7.728 -17.530 1.00 0.77 C ATOM 1104 CD GLU A 65 -11.013 -7.840 -18.035 1.00 0.97 C ATOM 1105 OE1 GLU A 65 -11.562 -8.966 -18.074 1.00 2.03 O ATOM 1106 OE2 GLU A 65 -11.611 -6.800 -18.404 1.00 1.61 O ATOM 0 H GLU A 65 -8.551 -5.384 -16.138 1.00 0.62 H new ATOM 0 HA GLU A 65 -8.101 -7.534 -14.380 1.00 0.65 H new ATOM 0 HB2 GLU A 65 -9.857 -8.578 -15.575 1.00 0.73 H new ATOM 0 HB3 GLU A 65 -10.212 -6.864 -15.668 1.00 0.73 H new ATOM 0 HG2 GLU A 65 -9.095 -6.848 -17.966 1.00 0.77 H new ATOM 0 HG3 GLU A 65 -8.996 -8.595 -17.863 1.00 0.77 H new ATOM 1113 N ALA A 66 -6.352 -7.743 -17.121 1.00 0.61 N ATOM 1114 CA ALA A 66 -5.243 -8.446 -17.765 1.00 0.60 C ATOM 1115 C ALA A 66 -4.030 -8.598 -16.830 1.00 0.54 C ATOM 1116 O ALA A 66 -3.423 -9.667 -16.778 1.00 0.55 O ATOM 1117 CB ALA A 66 -4.885 -7.679 -19.046 1.00 0.62 C ATOM 0 H ALA A 66 -6.561 -6.843 -17.554 1.00 0.61 H new ATOM 0 HA ALA A 66 -5.547 -9.463 -18.011 1.00 0.60 H new ATOM 0 HB1 ALA A 66 -4.059 -8.180 -19.551 1.00 0.62 H new ATOM 0 HB2 ALA A 66 -5.751 -7.651 -19.707 1.00 0.62 H new ATOM 0 HB3 ALA A 66 -4.591 -6.661 -18.790 1.00 0.62 H new ATOM 1123 N TRP A 67 -3.727 -7.565 -16.036 1.00 0.49 N ATOM 1124 CA TRP A 67 -2.668 -7.587 -15.024 1.00 0.44 C ATOM 1125 C TRP A 67 -3.109 -8.377 -13.788 1.00 0.42 C ATOM 1126 O TRP A 67 -2.345 -9.184 -13.262 1.00 0.41 O ATOM 1127 CB TRP A 67 -2.307 -6.141 -14.654 1.00 0.43 C ATOM 1128 CG TRP A 67 -1.293 -5.940 -13.565 1.00 0.42 C ATOM 1129 CD1 TRP A 67 -1.428 -5.035 -12.571 1.00 0.53 C ATOM 1130 CD2 TRP A 67 0.003 -6.587 -13.334 1.00 0.45 C ATOM 1131 NE1 TRP A 67 -0.355 -5.108 -11.714 1.00 0.61 N ATOM 1132 CE2 TRP A 67 0.576 -6.016 -12.153 1.00 0.58 C ATOM 1133 CE3 TRP A 67 0.771 -7.581 -13.989 1.00 0.50 C ATOM 1134 CZ2 TRP A 67 1.837 -6.380 -11.668 1.00 0.74 C ATOM 1135 CZ3 TRP A 67 2.018 -7.984 -13.476 1.00 0.66 C ATOM 1136 CH2 TRP A 67 2.567 -7.365 -12.344 1.00 0.77 C ATOM 0 H TRP A 67 -4.221 -6.674 -16.081 1.00 0.49 H new ATOM 0 HA TRP A 67 -1.788 -8.087 -15.429 1.00 0.44 H new ATOM 0 HB2 TRP A 67 -1.940 -5.645 -15.552 1.00 0.43 H new ATOM 0 HB3 TRP A 67 -3.223 -5.630 -14.360 1.00 0.43 H new ATOM 0 HD1 TRP A 67 -2.259 -4.353 -12.465 1.00 0.53 H new ATOM 0 HE1 TRP A 67 -0.263 -4.557 -10.860 1.00 0.61 H new ATOM 0 HE3 TRP A 67 0.395 -8.035 -14.894 1.00 0.50 H new ATOM 0 HZ2 TRP A 67 2.241 -5.908 -10.785 1.00 0.74 H new ATOM 0 HZ3 TRP A 67 2.560 -8.782 -13.961 1.00 0.66 H new ATOM 0 HH2 TRP A 67 3.549 -7.647 -11.995 1.00 0.77 H new ATOM 1147 N VAL A 68 -4.360 -8.181 -13.364 1.00 0.44 N ATOM 1148 CA VAL A 68 -4.943 -8.833 -12.179 1.00 0.45 C ATOM 1149 C VAL A 68 -5.072 -10.345 -12.388 1.00 0.50 C ATOM 1150 O VAL A 68 -4.741 -11.117 -11.486 1.00 0.50 O ATOM 1151 CB VAL A 68 -6.309 -8.203 -11.822 1.00 0.51 C ATOM 1152 CG1 VAL A 68 -7.057 -8.940 -10.705 1.00 0.57 C ATOM 1153 CG2 VAL A 68 -6.128 -6.754 -11.361 1.00 0.49 C ATOM 0 H VAL A 68 -5.010 -7.555 -13.839 1.00 0.44 H new ATOM 0 HA VAL A 68 -4.267 -8.671 -11.339 1.00 0.45 H new ATOM 0 HB VAL A 68 -6.898 -8.269 -12.737 1.00 0.51 H new ATOM 0 HG11 VAL A 68 -8.006 -8.440 -10.511 1.00 0.57 H new ATOM 0 HG12 VAL A 68 -7.246 -9.969 -11.011 1.00 0.57 H new ATOM 0 HG13 VAL A 68 -6.452 -8.936 -9.798 1.00 0.57 H new ATOM 0 HG21 VAL A 68 -7.100 -6.327 -11.114 1.00 0.49 H new ATOM 0 HG22 VAL A 68 -5.486 -6.730 -10.480 1.00 0.49 H new ATOM 0 HG23 VAL A 68 -5.669 -6.173 -12.160 1.00 0.49 H new ATOM 1163 N SER A 69 -5.519 -10.781 -13.570 1.00 0.56 N ATOM 1164 CA SER A 69 -5.566 -12.206 -13.920 1.00 0.64 C ATOM 1165 C SER A 69 -4.161 -12.801 -14.049 1.00 0.63 C ATOM 1166 O SER A 69 -3.901 -13.847 -13.469 1.00 0.67 O ATOM 1167 CB SER A 69 -6.364 -12.417 -15.216 1.00 0.70 C ATOM 1168 OG SER A 69 -6.709 -13.782 -15.424 1.00 0.76 O ATOM 0 H SER A 69 -5.856 -10.162 -14.307 1.00 0.56 H new ATOM 0 HA SER A 69 -6.072 -12.729 -13.109 1.00 0.64 H new ATOM 0 HB2 SER A 69 -7.273 -11.816 -15.182 1.00 0.70 H new ATOM 0 HB3 SER A 69 -5.778 -12.060 -16.063 1.00 0.70 H new ATOM 0 HG SER A 69 -7.216 -13.868 -16.258 1.00 0.76 H new ATOM 1174 N TYR A 70 -3.223 -12.140 -14.741 1.00 0.60 N ATOM 1175 CA TYR A 70 -1.850 -12.631 -14.930 1.00 0.61 C ATOM 1176 C TYR A 70 -1.108 -12.829 -13.601 1.00 0.58 C ATOM 1177 O TYR A 70 -0.498 -13.877 -13.382 1.00 0.61 O ATOM 1178 CB TYR A 70 -1.122 -11.633 -15.835 1.00 0.60 C ATOM 1179 CG TYR A 70 0.330 -11.964 -16.076 1.00 0.63 C ATOM 1180 CD1 TYR A 70 0.672 -13.010 -16.950 1.00 1.63 C ATOM 1181 CD2 TYR A 70 1.336 -11.236 -15.418 1.00 1.87 C ATOM 1182 CE1 TYR A 70 2.025 -13.320 -17.184 1.00 1.58 C ATOM 1183 CE2 TYR A 70 2.690 -11.526 -15.661 1.00 1.96 C ATOM 1184 CZ TYR A 70 3.041 -12.565 -16.555 1.00 0.75 C ATOM 1185 OH TYR A 70 4.351 -12.840 -16.807 1.00 0.83 O ATOM 0 H TYR A 70 -3.397 -11.241 -15.190 1.00 0.60 H new ATOM 0 HA TYR A 70 -1.879 -13.617 -15.394 1.00 0.61 H new ATOM 0 HB2 TYR A 70 -1.637 -11.587 -16.795 1.00 0.60 H new ATOM 0 HB3 TYR A 70 -1.188 -10.640 -15.390 1.00 0.60 H new ATOM 0 HD1 TYR A 70 -0.104 -13.577 -17.443 1.00 1.63 H new ATOM 0 HD2 TYR A 70 1.069 -10.452 -14.725 1.00 1.87 H new ATOM 0 HE1 TYR A 70 2.287 -14.134 -17.844 1.00 1.58 H new ATOM 0 HE2 TYR A 70 3.462 -10.956 -15.165 1.00 1.96 H new ATOM 0 HH TYR A 70 4.918 -12.227 -16.294 1.00 0.83 H new ATOM 1195 N TYR A 71 -1.224 -11.864 -12.685 1.00 0.52 N ATOM 1196 CA TYR A 71 -0.644 -11.929 -11.344 1.00 0.51 C ATOM 1197 C TYR A 71 -1.166 -13.130 -10.535 1.00 0.56 C ATOM 1198 O TYR A 71 -0.390 -13.845 -9.900 1.00 0.59 O ATOM 1199 CB TYR A 71 -0.931 -10.598 -10.636 1.00 0.49 C ATOM 1200 CG TYR A 71 -0.308 -10.504 -9.261 1.00 0.79 C ATOM 1201 CD1 TYR A 71 1.026 -10.075 -9.130 1.00 2.28 C ATOM 1202 CD2 TYR A 71 -1.038 -10.896 -8.123 1.00 1.42 C ATOM 1203 CE1 TYR A 71 1.637 -10.051 -7.864 1.00 2.71 C ATOM 1204 CE2 TYR A 71 -0.436 -10.851 -6.853 1.00 1.66 C ATOM 1205 CZ TYR A 71 0.905 -10.432 -6.720 1.00 1.86 C ATOM 1206 OH TYR A 71 1.492 -10.389 -5.496 1.00 2.43 O ATOM 0 H TYR A 71 -1.735 -10.998 -12.860 1.00 0.52 H new ATOM 0 HA TYR A 71 0.432 -12.082 -11.426 1.00 0.51 H new ATOM 0 HB2 TYR A 71 -0.559 -9.779 -11.252 1.00 0.49 H new ATOM 0 HB3 TYR A 71 -2.009 -10.467 -10.548 1.00 0.49 H new ATOM 0 HD1 TYR A 71 1.581 -9.764 -10.003 1.00 2.28 H new ATOM 0 HD2 TYR A 71 -2.060 -11.231 -8.225 1.00 1.42 H new ATOM 0 HE1 TYR A 71 2.667 -9.741 -7.767 1.00 2.71 H new ATOM 0 HE2 TYR A 71 -1.001 -11.138 -5.978 1.00 1.66 H new ATOM 0 HH TYR A 71 0.813 -10.205 -4.814 1.00 2.43 H new ATOM 1216 N GLN A 72 -2.476 -13.379 -10.586 1.00 0.59 N ATOM 1217 CA GLN A 72 -3.120 -14.520 -9.929 1.00 0.65 C ATOM 1218 C GLN A 72 -2.828 -15.860 -10.627 1.00 0.71 C ATOM 1219 O GLN A 72 -2.591 -16.860 -9.950 1.00 0.77 O ATOM 1220 CB GLN A 72 -4.631 -14.240 -9.853 1.00 0.69 C ATOM 1221 CG GLN A 72 -4.953 -13.273 -8.700 1.00 0.74 C ATOM 1222 CD GLN A 72 -6.454 -13.016 -8.576 1.00 1.24 C ATOM 1223 OE1 GLN A 72 -7.196 -13.776 -7.967 1.00 1.37 O ATOM 1224 NE2 GLN A 72 -6.962 -11.947 -9.156 1.00 2.59 N ATOM 0 H GLN A 72 -3.131 -12.784 -11.093 1.00 0.59 H new ATOM 0 HA GLN A 72 -2.705 -14.625 -8.927 1.00 0.65 H new ATOM 0 HB2 GLN A 72 -4.974 -13.815 -10.796 1.00 0.69 H new ATOM 0 HB3 GLN A 72 -5.172 -15.176 -9.710 1.00 0.69 H new ATOM 0 HG2 GLN A 72 -4.577 -13.686 -7.764 1.00 0.74 H new ATOM 0 HG3 GLN A 72 -4.435 -12.328 -8.863 1.00 0.74 H new ATOM 0 HE21 GLN A 72 -6.354 -11.306 -9.666 1.00 2.59 H new ATOM 0 HE22 GLN A 72 -7.963 -11.760 -9.095 1.00 2.59 H new ATOM 1233 N ALA A 73 -2.819 -15.895 -11.962 1.00 0.73 N ATOM 1234 CA ALA A 73 -2.761 -17.120 -12.770 1.00 0.81 C ATOM 1235 C ALA A 73 -1.376 -17.785 -12.744 1.00 0.84 C ATOM 1236 O ALA A 73 -1.267 -19.010 -12.671 1.00 0.93 O ATOM 1237 CB ALA A 73 -3.172 -16.758 -14.207 1.00 0.83 C ATOM 0 H ALA A 73 -2.853 -15.048 -12.529 1.00 0.73 H new ATOM 0 HA ALA A 73 -3.446 -17.854 -12.347 1.00 0.81 H new ATOM 0 HB1 ALA A 73 -3.138 -17.651 -14.831 1.00 0.83 H new ATOM 0 HB2 ALA A 73 -4.185 -16.355 -14.205 1.00 0.83 H new ATOM 0 HB3 ALA A 73 -2.485 -16.011 -14.605 1.00 0.83 H new ATOM 1243 N LYS A 74 -0.317 -16.973 -12.789 1.00 0.81 N ATOM 1244 CA LYS A 74 1.083 -17.393 -12.626 1.00 0.89 C ATOM 1245 C LYS A 74 1.536 -17.434 -11.148 1.00 0.86 C ATOM 1246 O LYS A 74 2.675 -17.806 -10.858 1.00 0.92 O ATOM 1247 CB LYS A 74 1.943 -16.443 -13.477 1.00 0.92 C ATOM 1248 CG LYS A 74 2.212 -16.902 -14.919 1.00 1.05 C ATOM 1249 CD LYS A 74 1.038 -17.420 -15.765 1.00 1.12 C ATOM 1250 CE LYS A 74 0.139 -16.278 -16.247 1.00 1.33 C ATOM 1251 NZ LYS A 74 -0.930 -16.771 -17.159 1.00 1.67 N ATOM 0 H LYS A 74 -0.411 -15.969 -12.945 1.00 0.81 H new ATOM 0 HA LYS A 74 1.200 -18.421 -12.968 1.00 0.89 H new ATOM 0 HB2 LYS A 74 1.453 -15.470 -13.510 1.00 0.92 H new ATOM 0 HB3 LYS A 74 2.900 -16.301 -12.975 1.00 0.92 H new ATOM 0 HG2 LYS A 74 2.659 -16.064 -15.454 1.00 1.05 H new ATOM 0 HG3 LYS A 74 2.963 -17.691 -14.879 1.00 1.05 H new ATOM 0 HD2 LYS A 74 1.423 -17.968 -16.625 1.00 1.12 H new ATOM 0 HD3 LYS A 74 0.449 -18.124 -15.177 1.00 1.12 H new ATOM 0 HE2 LYS A 74 -0.314 -15.783 -15.388 1.00 1.33 H new ATOM 0 HE3 LYS A 74 0.743 -15.531 -16.763 1.00 1.33 H new ATOM 0 HZ1 LYS A 74 -1.520 -15.972 -17.466 1.00 1.67 H new ATOM 0 HZ2 LYS A 74 -0.497 -17.221 -17.990 1.00 1.67 H new ATOM 0 HZ3 LYS A 74 -1.521 -17.465 -16.658 1.00 1.67 H new ATOM 1265 N ASN A 75 0.655 -17.052 -10.214 1.00 0.79 N ATOM 1266 CA ASN A 75 0.830 -17.131 -8.755 1.00 0.77 C ATOM 1267 C ASN A 75 1.957 -16.209 -8.235 1.00 0.62 C ATOM 1268 O ASN A 75 2.768 -16.599 -7.391 1.00 0.60 O ATOM 1269 CB ASN A 75 0.988 -18.592 -8.288 1.00 0.99 C ATOM 1270 CG ASN A 75 -0.086 -19.531 -8.832 1.00 1.34 C ATOM 1271 OD1 ASN A 75 0.171 -20.363 -9.694 1.00 2.32 O ATOM 1272 ND2 ASN A 75 -1.313 -19.426 -8.353 1.00 1.40 N ATOM 0 H ASN A 75 -0.250 -16.657 -10.469 1.00 0.79 H new ATOM 0 HA ASN A 75 -0.085 -16.749 -8.303 1.00 0.77 H new ATOM 0 HB2 ASN A 75 1.968 -18.958 -8.595 1.00 0.99 H new ATOM 0 HB3 ASN A 75 0.965 -18.620 -7.199 1.00 0.99 H new ATOM 0 HD21 ASN A 75 -2.050 -20.039 -8.701 1.00 1.40 H new ATOM 0 HD22 ASN A 75 -1.523 -18.732 -7.635 1.00 1.40 H new ATOM 1279 N PHE A 76 2.020 -14.967 -8.731 1.00 0.56 N ATOM 1280 CA PHE A 76 3.088 -14.008 -8.434 1.00 0.50 C ATOM 1281 C PHE A 76 3.129 -13.554 -6.963 1.00 0.45 C ATOM 1282 O PHE A 76 4.157 -13.030 -6.534 1.00 0.44 O ATOM 1283 CB PHE A 76 2.956 -12.813 -9.380 1.00 0.47 C ATOM 1284 CG PHE A 76 3.619 -12.988 -10.732 1.00 0.54 C ATOM 1285 CD1 PHE A 76 4.981 -12.670 -10.876 1.00 1.75 C ATOM 1286 CD2 PHE A 76 2.883 -13.415 -11.852 1.00 1.39 C ATOM 1287 CE1 PHE A 76 5.599 -12.741 -12.137 1.00 1.81 C ATOM 1288 CE2 PHE A 76 3.502 -13.483 -13.112 1.00 1.39 C ATOM 1289 CZ PHE A 76 4.857 -13.145 -13.257 1.00 0.71 C ATOM 0 H PHE A 76 1.313 -14.594 -9.364 1.00 0.56 H new ATOM 0 HA PHE A 76 4.038 -14.516 -8.596 1.00 0.50 H new ATOM 0 HB2 PHE A 76 1.897 -12.608 -9.536 1.00 0.47 H new ATOM 0 HB3 PHE A 76 3.383 -11.936 -8.894 1.00 0.47 H new ATOM 0 HD1 PHE A 76 5.556 -12.369 -10.013 1.00 1.75 H new ATOM 0 HD2 PHE A 76 1.844 -13.690 -11.744 1.00 1.39 H new ATOM 0 HE1 PHE A 76 6.643 -12.485 -12.243 1.00 1.81 H new ATOM 0 HE2 PHE A 76 2.932 -13.797 -13.974 1.00 1.39 H new ATOM 0 HZ PHE A 76 5.327 -13.196 -14.228 1.00 0.71 H new ATOM 1299 N LEU A 77 2.092 -13.839 -6.158 1.00 0.45 N ATOM 1300 CA LEU A 77 2.140 -13.706 -4.693 1.00 0.45 C ATOM 1301 C LEU A 77 3.341 -14.443 -4.065 1.00 0.49 C ATOM 1302 O LEU A 77 3.814 -14.044 -3.001 1.00 0.57 O ATOM 1303 CB LEU A 77 0.838 -14.223 -4.042 1.00 0.52 C ATOM 1304 CG LEU A 77 -0.430 -13.369 -4.233 1.00 0.70 C ATOM 1305 CD1 LEU A 77 -1.232 -13.772 -5.481 1.00 1.54 C ATOM 1306 CD2 LEU A 77 -1.356 -13.506 -3.017 1.00 0.95 C ATOM 0 H LEU A 77 1.193 -14.170 -6.507 1.00 0.45 H new ATOM 0 HA LEU A 77 2.254 -12.640 -4.496 1.00 0.45 H new ATOM 0 HB2 LEU A 77 0.637 -15.220 -4.434 1.00 0.52 H new ATOM 0 HB3 LEU A 77 1.015 -14.331 -2.972 1.00 0.52 H new ATOM 0 HG LEU A 77 -0.087 -12.341 -4.352 1.00 0.70 H new ATOM 0 HD11 LEU A 77 -2.115 -13.138 -5.567 1.00 1.54 H new ATOM 0 HD12 LEU A 77 -0.610 -13.650 -6.368 1.00 1.54 H new ATOM 0 HD13 LEU A 77 -1.541 -14.814 -5.394 1.00 1.54 H new ATOM 0 HD21 LEU A 77 -2.247 -12.897 -3.168 1.00 0.95 H new ATOM 0 HD22 LEU A 77 -1.646 -14.550 -2.896 1.00 0.95 H new ATOM 0 HD23 LEU A 77 -0.833 -13.169 -2.122 1.00 0.95 H new ATOM 1318 N ALA A 78 3.859 -15.491 -4.717 1.00 0.50 N ATOM 1319 CA ALA A 78 5.039 -16.232 -4.272 1.00 0.56 C ATOM 1320 C ALA A 78 6.355 -15.434 -4.385 1.00 0.57 C ATOM 1321 O ALA A 78 7.305 -15.731 -3.657 1.00 0.66 O ATOM 1322 CB ALA A 78 5.109 -17.522 -5.103 1.00 0.65 C ATOM 0 H ALA A 78 3.461 -15.852 -5.584 1.00 0.50 H new ATOM 0 HA ALA A 78 4.933 -16.445 -3.208 1.00 0.56 H new ATOM 0 HB1 ALA A 78 5.979 -18.104 -4.799 1.00 0.65 H new ATOM 0 HB2 ALA A 78 4.205 -18.109 -4.940 1.00 0.65 H new ATOM 0 HB3 ALA A 78 5.192 -17.270 -6.160 1.00 0.65 H new ATOM 1328 N ILE A 79 6.432 -14.450 -5.294 1.00 0.53 N ATOM 1329 CA ILE A 79 7.681 -13.742 -5.654 1.00 0.56 C ATOM 1330 C ILE A 79 7.605 -12.215 -5.458 1.00 0.51 C ATOM 1331 O ILE A 79 8.652 -11.572 -5.366 1.00 0.58 O ATOM 1332 CB ILE A 79 8.173 -14.171 -7.066 1.00 0.62 C ATOM 1333 CG1 ILE A 79 7.424 -13.559 -8.273 1.00 0.62 C ATOM 1334 CG2 ILE A 79 8.122 -15.705 -7.224 1.00 0.69 C ATOM 1335 CD1 ILE A 79 7.995 -12.210 -8.721 1.00 0.66 C ATOM 0 H ILE A 79 5.619 -14.115 -5.810 1.00 0.53 H new ATOM 0 HA ILE A 79 8.445 -14.055 -4.942 1.00 0.56 H new ATOM 0 HB ILE A 79 9.189 -13.778 -7.096 1.00 0.62 H new ATOM 0 HG12 ILE A 79 7.464 -14.258 -9.109 1.00 0.62 H new ATOM 0 HG13 ILE A 79 6.373 -13.432 -8.013 1.00 0.62 H new ATOM 0 HG21 ILE A 79 8.471 -15.980 -8.219 1.00 0.69 H new ATOM 0 HG22 ILE A 79 8.762 -16.170 -6.474 1.00 0.69 H new ATOM 0 HG23 ILE A 79 7.097 -16.051 -7.090 1.00 0.69 H new ATOM 0 HD11 ILE A 79 7.424 -11.837 -9.571 1.00 0.66 H new ATOM 0 HD12 ILE A 79 7.930 -11.497 -7.899 1.00 0.66 H new ATOM 0 HD13 ILE A 79 9.038 -12.335 -9.012 1.00 0.66 H new ATOM 1347 N ASP A 80 6.403 -11.632 -5.313 1.00 0.45 N ATOM 1348 CA ASP A 80 6.184 -10.256 -4.859 1.00 0.46 C ATOM 1349 C ASP A 80 6.731 -10.013 -3.432 1.00 0.45 C ATOM 1350 O ASP A 80 6.371 -10.766 -2.517 1.00 0.48 O ATOM 1351 CB ASP A 80 4.669 -9.978 -4.877 1.00 0.54 C ATOM 1352 CG ASP A 80 4.311 -8.658 -4.178 1.00 1.25 C ATOM 1353 OD1 ASP A 80 5.012 -7.652 -4.420 1.00 2.01 O ATOM 1354 OD2 ASP A 80 3.402 -8.639 -3.323 1.00 2.44 O ATOM 0 H ASP A 80 5.533 -12.124 -5.516 1.00 0.45 H new ATOM 0 HA ASP A 80 6.720 -9.585 -5.529 1.00 0.46 H new ATOM 0 HB2 ASP A 80 4.320 -9.947 -5.909 1.00 0.54 H new ATOM 0 HB3 ASP A 80 4.145 -10.799 -4.388 1.00 0.54 H new ATOM 1359 N PRO A 81 7.525 -8.946 -3.192 1.00 0.56 N ATOM 1360 CA PRO A 81 7.971 -8.580 -1.854 1.00 0.66 C ATOM 1361 C PRO A 81 6.974 -7.683 -1.106 1.00 0.67 C ATOM 1362 O PRO A 81 7.106 -7.551 0.108 1.00 0.76 O ATOM 1363 CB PRO A 81 9.298 -7.850 -2.077 1.00 0.79 C ATOM 1364 CG PRO A 81 9.085 -7.139 -3.413 1.00 0.81 C ATOM 1365 CD PRO A 81 8.135 -8.059 -4.179 1.00 0.74 C ATOM 0 HA PRO A 81 8.068 -9.464 -1.224 1.00 0.66 H new ATOM 0 HB2 PRO A 81 9.509 -7.144 -1.274 1.00 0.79 H new ATOM 0 HB3 PRO A 81 10.137 -8.544 -2.120 1.00 0.79 H new ATOM 0 HG2 PRO A 81 8.653 -6.148 -3.273 1.00 0.81 H new ATOM 0 HG3 PRO A 81 10.026 -7.004 -3.947 1.00 0.81 H new ATOM 0 HD2 PRO A 81 7.374 -7.480 -4.702 1.00 0.74 H new ATOM 0 HD3 PRO A 81 8.675 -8.632 -4.933 1.00 0.74 H new ATOM 1373 N VAL A 82 5.988 -7.067 -1.776 1.00 0.62 N ATOM 1374 CA VAL A 82 5.113 -6.038 -1.177 1.00 0.68 C ATOM 1375 C VAL A 82 4.115 -6.615 -0.150 1.00 0.73 C ATOM 1376 O VAL A 82 3.612 -5.883 0.703 1.00 0.78 O ATOM 1377 CB VAL A 82 4.414 -5.230 -2.298 1.00 0.70 C ATOM 1378 CG1 VAL A 82 3.297 -4.303 -1.818 1.00 2.35 C ATOM 1379 CG2 VAL A 82 5.460 -4.455 -3.126 1.00 1.92 C ATOM 0 H VAL A 82 5.771 -7.267 -2.753 1.00 0.62 H new ATOM 0 HA VAL A 82 5.740 -5.358 -0.601 1.00 0.68 H new ATOM 0 HB VAL A 82 3.914 -5.966 -2.927 1.00 0.70 H new ATOM 0 HG11 VAL A 82 2.867 -3.779 -2.672 1.00 2.35 H new ATOM 0 HG12 VAL A 82 2.523 -4.891 -1.325 1.00 2.35 H new ATOM 0 HG13 VAL A 82 3.704 -3.577 -1.114 1.00 2.35 H new ATOM 0 HG21 VAL A 82 4.957 -3.891 -3.911 1.00 1.92 H new ATOM 0 HG22 VAL A 82 6.002 -3.768 -2.476 1.00 1.92 H new ATOM 0 HG23 VAL A 82 6.161 -5.158 -3.577 1.00 1.92 H new ATOM 1389 N LEU A 83 3.869 -7.930 -0.171 1.00 0.79 N ATOM 1390 CA LEU A 83 3.091 -8.645 0.850 1.00 0.85 C ATOM 1391 C LEU A 83 3.946 -9.350 1.921 1.00 0.90 C ATOM 1392 O LEU A 83 3.393 -9.962 2.837 1.00 0.97 O ATOM 1393 CB LEU A 83 2.100 -9.586 0.133 1.00 0.82 C ATOM 1394 CG LEU A 83 2.701 -10.724 -0.737 1.00 0.73 C ATOM 1395 CD1 LEU A 83 3.171 -11.930 0.092 1.00 0.83 C ATOM 1396 CD2 LEU A 83 1.611 -11.205 -1.705 1.00 0.81 C ATOM 0 H LEU A 83 4.212 -8.540 -0.913 1.00 0.79 H new ATOM 0 HA LEU A 83 2.534 -7.913 1.435 1.00 0.85 H new ATOM 0 HB2 LEU A 83 1.460 -10.041 0.889 1.00 0.82 H new ATOM 0 HB3 LEU A 83 1.458 -8.978 -0.504 1.00 0.82 H new ATOM 0 HG LEU A 83 3.572 -10.322 -1.253 1.00 0.73 H new ATOM 0 HD11 LEU A 83 3.581 -12.691 -0.572 1.00 0.83 H new ATOM 0 HD12 LEU A 83 3.940 -11.611 0.796 1.00 0.83 H new ATOM 0 HD13 LEU A 83 2.326 -12.345 0.642 1.00 0.83 H new ATOM 0 HD21 LEU A 83 2.007 -12.006 -2.330 1.00 0.81 H new ATOM 0 HD22 LEU A 83 0.758 -11.576 -1.137 1.00 0.81 H new ATOM 0 HD23 LEU A 83 1.294 -10.375 -2.337 1.00 0.81 H new ATOM 1408 N ASN A 84 5.280 -9.310 1.806 1.00 0.90 N ATOM 1409 CA ASN A 84 6.192 -10.195 2.541 1.00 0.90 C ATOM 1410 C ASN A 84 7.029 -9.424 3.592 1.00 0.78 C ATOM 1411 O ASN A 84 7.912 -8.653 3.201 1.00 0.74 O ATOM 1412 CB ASN A 84 7.077 -10.916 1.509 1.00 1.00 C ATOM 1413 CG ASN A 84 7.639 -12.218 2.074 1.00 1.29 C ATOM 1414 OD1 ASN A 84 6.901 -13.147 2.380 1.00 2.00 O ATOM 1415 ND2 ASN A 84 8.946 -12.323 2.246 1.00 1.69 N ATOM 0 H ASN A 84 5.762 -8.653 1.192 1.00 0.90 H new ATOM 0 HA ASN A 84 5.620 -10.927 3.112 1.00 0.90 H new ATOM 0 HB2 ASN A 84 6.495 -11.128 0.612 1.00 1.00 H new ATOM 0 HB3 ASN A 84 7.897 -10.263 1.210 1.00 1.00 H new ATOM 0 HD21 ASN A 84 9.342 -13.179 2.634 1.00 1.69 H new ATOM 0 HD22 ASN A 84 9.558 -11.548 1.990 1.00 1.69 H new ATOM 1422 N PRO A 85 6.777 -9.594 4.910 1.00 0.77 N ATOM 1423 CA PRO A 85 7.215 -8.647 5.941 1.00 0.79 C ATOM 1424 C PRO A 85 8.738 -8.552 6.140 1.00 0.82 C ATOM 1425 O PRO A 85 9.214 -7.518 6.604 1.00 0.91 O ATOM 1426 CB PRO A 85 6.495 -9.077 7.227 1.00 0.83 C ATOM 1427 CG PRO A 85 6.175 -10.551 7.005 1.00 0.86 C ATOM 1428 CD PRO A 85 5.907 -10.602 5.502 1.00 0.86 C ATOM 0 HA PRO A 85 6.955 -7.635 5.632 1.00 0.79 H new ATOM 0 HB2 PRO A 85 7.127 -8.935 8.103 1.00 0.83 H new ATOM 0 HB3 PRO A 85 5.589 -8.493 7.390 1.00 0.83 H new ATOM 0 HG2 PRO A 85 7.006 -11.195 7.292 1.00 0.86 H new ATOM 0 HG3 PRO A 85 5.309 -10.871 7.584 1.00 0.86 H new ATOM 0 HD2 PRO A 85 6.124 -11.591 5.099 1.00 0.86 H new ATOM 0 HD3 PRO A 85 4.860 -10.392 5.284 1.00 0.86 H new ATOM 1436 N GLU A 86 9.513 -9.579 5.775 1.00 0.83 N ATOM 1437 CA GLU A 86 10.974 -9.608 5.955 1.00 0.94 C ATOM 1438 C GLU A 86 11.725 -8.574 5.096 1.00 0.93 C ATOM 1439 O GLU A 86 12.810 -8.129 5.476 1.00 1.05 O ATOM 1440 CB GLU A 86 11.538 -10.999 5.639 1.00 1.02 C ATOM 1441 CG GLU A 86 10.947 -12.109 6.516 1.00 1.17 C ATOM 1442 CD GLU A 86 9.853 -12.890 5.773 1.00 2.05 C ATOM 1443 OE1 GLU A 86 8.796 -12.292 5.470 1.00 3.29 O ATOM 1444 OE2 GLU A 86 10.056 -14.092 5.478 1.00 2.44 O ATOM 0 H GLU A 86 9.142 -10.424 5.341 1.00 0.83 H new ATOM 0 HA GLU A 86 11.136 -9.353 7.002 1.00 0.94 H new ATOM 0 HB2 GLU A 86 11.345 -11.232 4.592 1.00 1.02 H new ATOM 0 HB3 GLU A 86 12.620 -10.982 5.768 1.00 1.02 H new ATOM 0 HG2 GLU A 86 11.739 -12.792 6.823 1.00 1.17 H new ATOM 0 HG3 GLU A 86 10.532 -11.674 7.425 1.00 1.17 H new ATOM 1451 N ASN A 87 11.167 -8.183 3.944 1.00 0.80 N ATOM 1452 CA ASN A 87 11.801 -7.230 3.022 1.00 0.78 C ATOM 1453 C ASN A 87 11.724 -5.772 3.542 1.00 0.77 C ATOM 1454 O ASN A 87 12.546 -4.927 3.183 1.00 0.79 O ATOM 1455 CB ASN A 87 11.148 -7.398 1.636 1.00 0.75 C ATOM 1456 CG ASN A 87 12.057 -6.929 0.497 1.00 1.37 C ATOM 1457 OD1 ASN A 87 12.368 -5.756 0.353 1.00 2.82 O ATOM 1458 ND2 ASN A 87 12.524 -7.835 -0.345 1.00 1.44 N ATOM 0 H ASN A 87 10.259 -8.520 3.623 1.00 0.80 H new ATOM 0 HA ASN A 87 12.867 -7.446 2.947 1.00 0.78 H new ATOM 0 HB2 ASN A 87 10.892 -8.447 1.484 1.00 0.75 H new ATOM 0 HB3 ASN A 87 10.215 -6.835 1.607 1.00 0.75 H new ATOM 0 HD21 ASN A 87 13.139 -7.553 -1.108 1.00 1.44 H new ATOM 0 HD22 ASN A 87 12.269 -8.816 -0.232 1.00 1.44 H new ATOM 1465 N PHE A 88 10.758 -5.479 4.424 1.00 0.79 N ATOM 1466 CA PHE A 88 10.488 -4.156 4.994 1.00 0.82 C ATOM 1467 C PHE A 88 11.466 -3.826 6.137 1.00 0.91 C ATOM 1468 O PHE A 88 11.079 -3.671 7.295 1.00 0.99 O ATOM 1469 CB PHE A 88 9.023 -4.105 5.467 1.00 0.79 C ATOM 1470 CG PHE A 88 8.003 -4.206 4.356 1.00 0.72 C ATOM 1471 CD1 PHE A 88 7.610 -5.461 3.853 1.00 1.58 C ATOM 1472 CD2 PHE A 88 7.467 -3.030 3.807 1.00 2.02 C ATOM 1473 CE1 PHE A 88 6.678 -5.538 2.803 1.00 1.58 C ATOM 1474 CE2 PHE A 88 6.521 -3.106 2.777 1.00 1.99 C ATOM 1475 CZ PHE A 88 6.131 -4.356 2.270 1.00 0.64 C ATOM 0 H PHE A 88 10.116 -6.191 4.774 1.00 0.79 H new ATOM 0 HA PHE A 88 10.641 -3.396 4.228 1.00 0.82 H new ATOM 0 HB2 PHE A 88 8.854 -4.917 6.174 1.00 0.79 H new ATOM 0 HB3 PHE A 88 8.861 -3.173 6.008 1.00 0.79 H new ATOM 0 HD1 PHE A 88 8.025 -6.365 4.274 1.00 1.58 H new ATOM 0 HD2 PHE A 88 7.784 -2.067 4.179 1.00 2.02 H new ATOM 0 HE1 PHE A 88 6.384 -6.499 2.408 1.00 1.58 H new ATOM 0 HE2 PHE A 88 6.091 -2.202 2.372 1.00 1.99 H new ATOM 0 HZ PHE A 88 5.409 -4.410 1.469 1.00 0.64 H new ATOM 1485 N SER A 89 12.756 -3.720 5.827 1.00 0.90 N ATOM 1486 CA SER A 89 13.833 -3.720 6.839 1.00 0.98 C ATOM 1487 C SER A 89 13.888 -2.428 7.678 1.00 1.02 C ATOM 1488 O SER A 89 14.405 -2.432 8.797 1.00 1.13 O ATOM 1489 CB SER A 89 15.192 -3.942 6.154 1.00 0.99 C ATOM 1490 OG SER A 89 15.206 -5.126 5.362 1.00 1.00 O ATOM 0 H SER A 89 13.094 -3.631 4.869 1.00 0.90 H new ATOM 0 HA SER A 89 13.609 -4.535 7.527 1.00 0.98 H new ATOM 0 HB2 SER A 89 15.425 -3.083 5.525 1.00 0.99 H new ATOM 0 HB3 SER A 89 15.973 -4.004 6.911 1.00 0.99 H new ATOM 0 HG SER A 89 16.086 -5.229 4.943 1.00 1.00 H new ATOM 1496 N GLN A 90 13.313 -1.334 7.166 1.00 0.97 N ATOM 1497 CA GLN A 90 13.069 -0.078 7.888 1.00 1.01 C ATOM 1498 C GLN A 90 11.565 0.282 7.889 1.00 0.98 C ATOM 1499 O GLN A 90 11.199 1.450 8.041 1.00 0.99 O ATOM 1500 CB GLN A 90 13.944 1.036 7.278 1.00 1.04 C ATOM 1501 CG GLN A 90 15.448 0.746 7.426 1.00 1.06 C ATOM 1502 CD GLN A 90 16.306 1.930 6.978 1.00 1.75 C ATOM 1503 OE1 GLN A 90 16.851 2.681 7.781 1.00 2.17 O ATOM 1504 NE2 GLN A 90 16.454 2.159 5.687 1.00 3.15 N ATOM 0 H GLN A 90 12.992 -1.297 6.199 1.00 0.97 H new ATOM 0 HA GLN A 90 13.351 -0.196 8.934 1.00 1.01 H new ATOM 0 HB2 GLN A 90 13.700 1.148 6.222 1.00 1.04 H new ATOM 0 HB3 GLN A 90 13.710 1.984 7.762 1.00 1.04 H new ATOM 0 HG2 GLN A 90 15.671 0.510 8.466 1.00 1.06 H new ATOM 0 HG3 GLN A 90 15.707 -0.133 6.837 1.00 1.06 H new ATOM 0 HE21 GLN A 90 16.008 1.545 5.006 1.00 3.15 H new ATOM 0 HE22 GLN A 90 17.014 2.950 5.370 1.00 3.15 H new ATOM 1513 N GLY A 91 10.675 -0.704 7.688 1.00 0.97 N ATOM 1514 CA GLY A 91 9.218 -0.499 7.654 1.00 0.98 C ATOM 1515 C GLY A 91 8.687 0.039 6.321 1.00 0.91 C ATOM 1516 O GLY A 91 7.563 0.525 6.271 1.00 0.96 O ATOM 0 H GLY A 91 10.950 -1.675 7.543 1.00 0.97 H new ATOM 0 HA2 GLY A 91 8.725 -1.446 7.872 1.00 0.98 H new ATOM 0 HA3 GLY A 91 8.942 0.195 8.448 1.00 0.98 H new ATOM 1520 N HIS A 92 9.489 0.011 5.254 1.00 0.83 N ATOM 1521 CA HIS A 92 9.204 0.685 3.980 1.00 0.80 C ATOM 1522 C HIS A 92 9.829 -0.060 2.780 1.00 0.78 C ATOM 1523 O HIS A 92 10.859 -0.723 2.941 1.00 0.85 O ATOM 1524 CB HIS A 92 9.748 2.118 4.090 1.00 0.86 C ATOM 1525 CG HIS A 92 9.566 2.941 2.842 1.00 0.86 C ATOM 1526 ND1 HIS A 92 8.373 3.408 2.345 1.00 0.89 N ATOM 1527 CD2 HIS A 92 10.543 3.313 1.958 1.00 0.89 C ATOM 1528 CE1 HIS A 92 8.621 4.046 1.191 1.00 0.94 C ATOM 1529 NE2 HIS A 92 9.936 4.029 0.923 1.00 0.93 N ATOM 0 H HIS A 92 10.376 -0.492 5.249 1.00 0.83 H new ATOM 0 HA HIS A 92 8.129 0.695 3.797 1.00 0.80 H new ATOM 0 HB2 HIS A 92 9.252 2.621 4.920 1.00 0.86 H new ATOM 0 HB3 HIS A 92 10.810 2.075 4.332 1.00 0.86 H new ATOM 0 HD1 HIS A 92 7.457 3.290 2.778 1.00 0.89 H new ATOM 0 HD2 HIS A 92 11.597 3.092 2.045 1.00 0.89 H new ATOM 0 HE1 HIS A 92 7.870 4.507 0.567 1.00 0.94 H new ATOM 1537 N LEU A 93 9.222 0.065 1.588 1.00 0.74 N ATOM 1538 CA LEU A 93 9.655 -0.569 0.332 1.00 0.75 C ATOM 1539 C LEU A 93 9.683 0.454 -0.823 1.00 0.69 C ATOM 1540 O LEU A 93 8.794 1.302 -0.934 1.00 0.71 O ATOM 1541 CB LEU A 93 8.700 -1.743 -0.005 1.00 0.90 C ATOM 1542 CG LEU A 93 9.238 -3.180 0.143 1.00 0.92 C ATOM 1543 CD1 LEU A 93 10.160 -3.558 -1.016 1.00 1.49 C ATOM 1544 CD2 LEU A 93 9.985 -3.433 1.453 1.00 2.28 C ATOM 0 H LEU A 93 8.383 0.633 1.469 1.00 0.74 H new ATOM 0 HA LEU A 93 10.668 -0.951 0.460 1.00 0.75 H new ATOM 0 HB2 LEU A 93 7.819 -1.649 0.630 1.00 0.90 H new ATOM 0 HB3 LEU A 93 8.366 -1.616 -1.035 1.00 0.90 H new ATOM 0 HG LEU A 93 8.345 -3.805 0.140 1.00 0.92 H new ATOM 0 HD11 LEU A 93 10.520 -4.578 -0.877 1.00 1.49 H new ATOM 0 HD12 LEU A 93 9.610 -3.492 -1.955 1.00 1.49 H new ATOM 0 HD13 LEU A 93 11.009 -2.874 -1.044 1.00 1.49 H new ATOM 0 HD21 LEU A 93 10.332 -4.466 1.481 1.00 2.28 H new ATOM 0 HD22 LEU A 93 10.841 -2.761 1.519 1.00 2.28 H new ATOM 0 HD23 LEU A 93 9.316 -3.252 2.294 1.00 2.28 H new ATOM 1556 N MET A 94 10.676 0.337 -1.712 1.00 0.65 N ATOM 1557 CA MET A 94 10.873 1.206 -2.889 1.00 0.61 C ATOM 1558 C MET A 94 11.131 0.373 -4.147 1.00 0.62 C ATOM 1559 O MET A 94 11.876 -0.608 -4.095 1.00 0.71 O ATOM 1560 CB MET A 94 12.078 2.138 -2.680 1.00 0.66 C ATOM 1561 CG MET A 94 11.989 2.984 -1.409 1.00 0.86 C ATOM 1562 SD MET A 94 13.342 4.175 -1.273 1.00 0.90 S ATOM 1563 CE MET A 94 12.485 5.571 -2.026 1.00 1.19 C ATOM 0 H MET A 94 11.390 -0.387 -1.634 1.00 0.65 H new ATOM 0 HA MET A 94 9.962 1.792 -3.013 1.00 0.61 H new ATOM 0 HB2 MET A 94 12.988 1.538 -2.644 1.00 0.66 H new ATOM 0 HB3 MET A 94 12.167 2.800 -3.541 1.00 0.66 H new ATOM 0 HG2 MET A 94 11.038 3.517 -1.397 1.00 0.86 H new ATOM 0 HG3 MET A 94 11.998 2.328 -0.539 1.00 0.86 H new ATOM 0 HE1 MET A 94 13.216 6.286 -2.403 1.00 1.19 H new ATOM 0 HE2 MET A 94 11.866 5.216 -2.850 1.00 1.19 H new ATOM 0 HE3 MET A 94 11.854 6.055 -1.281 1.00 1.19 H new ATOM 1573 N TRP A 95 10.544 0.759 -5.282 1.00 0.58 N ATOM 1574 CA TRP A 95 10.640 -0.013 -6.525 1.00 0.55 C ATOM 1575 C TRP A 95 11.902 0.380 -7.313 1.00 0.56 C ATOM 1576 O TRP A 95 12.019 1.510 -7.794 1.00 0.59 O ATOM 1577 CB TRP A 95 9.368 0.177 -7.375 1.00 0.50 C ATOM 1578 CG TRP A 95 8.038 -0.291 -6.835 1.00 0.47 C ATOM 1579 CD1 TRP A 95 7.659 -0.358 -5.536 1.00 0.57 C ATOM 1580 CD2 TRP A 95 6.849 -0.685 -7.597 1.00 0.42 C ATOM 1581 NE1 TRP A 95 6.334 -0.725 -5.442 1.00 0.54 N ATOM 1582 CE2 TRP A 95 5.771 -0.904 -6.685 1.00 0.48 C ATOM 1583 CE3 TRP A 95 6.558 -0.831 -8.972 1.00 0.44 C ATOM 1584 CZ2 TRP A 95 4.468 -1.201 -7.114 1.00 0.56 C ATOM 1585 CZ3 TRP A 95 5.258 -1.145 -9.414 1.00 0.57 C ATOM 1586 CH2 TRP A 95 4.210 -1.317 -8.491 1.00 0.63 C ATOM 0 H TRP A 95 9.991 1.612 -5.366 1.00 0.58 H new ATOM 0 HA TRP A 95 10.722 -1.070 -6.273 1.00 0.55 H new ATOM 0 HB2 TRP A 95 9.276 1.241 -7.593 1.00 0.50 H new ATOM 0 HB3 TRP A 95 9.531 -0.330 -8.326 1.00 0.50 H new ATOM 0 HD1 TRP A 95 8.304 -0.153 -4.694 1.00 0.57 H new ATOM 0 HE1 TRP A 95 5.833 -0.848 -4.562 1.00 0.54 H new ATOM 0 HE3 TRP A 95 7.347 -0.699 -9.698 1.00 0.44 H new ATOM 0 HZ2 TRP A 95 3.674 -1.339 -6.395 1.00 0.56 H new ATOM 0 HZ3 TRP A 95 5.064 -1.255 -10.471 1.00 0.57 H new ATOM 0 HH2 TRP A 95 3.212 -1.537 -8.839 1.00 0.63 H new ATOM 1597 N ASN A 96 12.823 -0.570 -7.481 1.00 0.59 N ATOM 1598 CA ASN A 96 14.062 -0.450 -8.264 1.00 0.59 C ATOM 1599 C ASN A 96 14.290 -1.723 -9.098 1.00 0.55 C ATOM 1600 O ASN A 96 13.863 -2.803 -8.693 1.00 0.55 O ATOM 1601 CB ASN A 96 15.258 -0.198 -7.315 1.00 0.69 C ATOM 1602 CG ASN A 96 15.967 1.118 -7.620 1.00 1.29 C ATOM 1603 OD1 ASN A 96 15.414 2.195 -7.433 1.00 1.86 O ATOM 1604 ND2 ASN A 96 17.192 1.088 -8.114 1.00 2.18 N ATOM 0 H ASN A 96 12.724 -1.491 -7.055 1.00 0.59 H new ATOM 0 HA ASN A 96 13.973 0.394 -8.947 1.00 0.59 H new ATOM 0 HB2 ASN A 96 14.906 -0.189 -6.284 1.00 0.69 H new ATOM 0 HB3 ASN A 96 15.968 -1.020 -7.402 1.00 0.69 H new ATOM 0 HD21 ASN A 96 17.673 1.959 -8.338 1.00 2.18 H new ATOM 0 HD22 ASN A 96 17.657 0.194 -8.271 1.00 2.18 H new ATOM 1611 N ASP A 97 15.022 -1.634 -10.214 1.00 0.53 N ATOM 1612 CA ASP A 97 15.424 -2.803 -11.018 1.00 0.48 C ATOM 1613 C ASP A 97 16.184 -3.851 -10.176 1.00 0.50 C ATOM 1614 O ASP A 97 16.079 -5.051 -10.416 1.00 0.53 O ATOM 1615 CB ASP A 97 16.320 -2.340 -12.178 1.00 0.50 C ATOM 1616 CG ASP A 97 15.569 -1.493 -13.213 1.00 1.09 C ATOM 1617 OD1 ASP A 97 15.430 -0.265 -12.996 1.00 2.07 O ATOM 1618 OD2 ASP A 97 15.139 -2.062 -14.245 1.00 2.45 O ATOM 0 H ASP A 97 15.356 -0.747 -10.590 1.00 0.53 H new ATOM 0 HA ASP A 97 14.517 -3.273 -11.398 1.00 0.48 H new ATOM 0 HB2 ASP A 97 17.153 -1.761 -11.778 1.00 0.50 H new ATOM 0 HB3 ASP A 97 16.746 -3.213 -12.672 1.00 0.50 H new ATOM 1623 N ASP A 98 16.916 -3.381 -9.162 1.00 0.56 N ATOM 1624 CA ASP A 98 17.645 -4.173 -8.169 1.00 0.67 C ATOM 1625 C ASP A 98 16.712 -4.918 -7.197 1.00 0.68 C ATOM 1626 O ASP A 98 16.940 -6.088 -6.887 1.00 0.79 O ATOM 1627 CB ASP A 98 18.544 -3.226 -7.362 1.00 0.78 C ATOM 1628 CG ASP A 98 19.400 -2.311 -8.251 1.00 1.73 C ATOM 1629 OD1 ASP A 98 20.522 -2.714 -8.639 1.00 2.45 O ATOM 1630 OD2 ASP A 98 18.926 -1.188 -8.549 1.00 3.14 O ATOM 0 H ASP A 98 17.021 -2.379 -9.004 1.00 0.56 H new ATOM 0 HA ASP A 98 18.224 -4.926 -8.704 1.00 0.67 H new ATOM 0 HB2 ASP A 98 17.923 -2.612 -6.709 1.00 0.78 H new ATOM 0 HB3 ASP A 98 19.198 -3.815 -6.719 1.00 0.78 H new ATOM 1635 N LEU A 99 15.637 -4.256 -6.742 1.00 0.62 N ATOM 1636 CA LEU A 99 14.590 -4.846 -5.896 1.00 0.64 C ATOM 1637 C LEU A 99 13.883 -5.974 -6.666 1.00 0.53 C ATOM 1638 O LEU A 99 13.660 -7.067 -6.144 1.00 0.61 O ATOM 1639 CB LEU A 99 13.623 -3.718 -5.453 1.00 0.73 C ATOM 1640 CG LEU A 99 12.875 -3.909 -4.116 1.00 0.83 C ATOM 1641 CD1 LEU A 99 12.201 -5.276 -3.964 1.00 1.61 C ATOM 1642 CD2 LEU A 99 13.805 -3.644 -2.926 1.00 1.63 C ATOM 0 H LEU A 99 15.468 -3.273 -6.957 1.00 0.62 H new ATOM 0 HA LEU A 99 15.012 -5.296 -4.997 1.00 0.64 H new ATOM 0 HB2 LEU A 99 14.193 -2.791 -5.391 1.00 0.73 H new ATOM 0 HB3 LEU A 99 12.880 -3.583 -6.239 1.00 0.73 H new ATOM 0 HG LEU A 99 12.071 -3.173 -4.127 1.00 0.83 H new ATOM 0 HD11 LEU A 99 11.698 -5.328 -2.998 1.00 1.61 H new ATOM 0 HD12 LEU A 99 11.470 -5.412 -4.761 1.00 1.61 H new ATOM 0 HD13 LEU A 99 12.954 -6.062 -4.024 1.00 1.61 H new ATOM 0 HD21 LEU A 99 13.255 -3.785 -1.996 1.00 1.63 H new ATOM 0 HD22 LEU A 99 14.645 -4.338 -2.959 1.00 1.63 H new ATOM 0 HD23 LEU A 99 14.177 -2.621 -2.976 1.00 1.63 H new ATOM 1654 N PHE A 100 13.615 -5.727 -7.950 1.00 0.47 N ATOM 1655 CA PHE A 100 12.984 -6.651 -8.884 1.00 0.47 C ATOM 1656 C PHE A 100 13.994 -7.574 -9.605 1.00 0.53 C ATOM 1657 O PHE A 100 13.665 -8.170 -10.628 1.00 0.57 O ATOM 1658 CB PHE A 100 12.126 -5.835 -9.861 1.00 0.52 C ATOM 1659 CG PHE A 100 10.829 -5.304 -9.271 1.00 0.54 C ATOM 1660 CD1 PHE A 100 10.840 -4.233 -8.359 1.00 2.07 C ATOM 1661 CD2 PHE A 100 9.596 -5.876 -9.639 1.00 2.30 C ATOM 1662 CE1 PHE A 100 9.638 -3.718 -7.845 1.00 2.00 C ATOM 1663 CE2 PHE A 100 8.394 -5.339 -9.156 1.00 2.42 C ATOM 1664 CZ PHE A 100 8.410 -4.259 -8.256 1.00 0.76 C ATOM 0 H PHE A 100 13.845 -4.833 -8.384 1.00 0.47 H new ATOM 0 HA PHE A 100 12.347 -7.338 -8.326 1.00 0.47 H new ATOM 0 HB2 PHE A 100 12.715 -4.994 -10.226 1.00 0.52 H new ATOM 0 HB3 PHE A 100 11.890 -6.457 -10.724 1.00 0.52 H new ATOM 0 HD1 PHE A 100 11.781 -3.802 -8.051 1.00 2.07 H new ATOM 0 HD2 PHE A 100 9.576 -6.733 -10.297 1.00 2.30 H new ATOM 0 HE1 PHE A 100 9.659 -2.906 -7.134 1.00 2.00 H new ATOM 0 HE2 PHE A 100 7.451 -5.757 -9.477 1.00 2.42 H new ATOM 0 HZ PHE A 100 7.483 -3.848 -7.883 1.00 0.76 H new ATOM 1674 N SER A 101 15.227 -7.715 -9.105 1.00 0.61 N ATOM 1675 CA SER A 101 16.285 -8.489 -9.783 1.00 0.75 C ATOM 1676 C SER A 101 15.954 -9.995 -9.892 1.00 0.68 C ATOM 1677 O SER A 101 16.249 -10.622 -10.913 1.00 0.75 O ATOM 1678 CB SER A 101 17.629 -8.237 -9.083 1.00 0.92 C ATOM 1679 OG SER A 101 18.691 -8.958 -9.693 1.00 1.14 O ATOM 0 H SER A 101 15.524 -7.299 -8.222 1.00 0.61 H new ATOM 0 HA SER A 101 16.353 -8.140 -10.813 1.00 0.75 H new ATOM 0 HB2 SER A 101 17.855 -7.171 -9.105 1.00 0.92 H new ATOM 0 HB3 SER A 101 17.551 -8.524 -8.034 1.00 0.92 H new ATOM 0 HG SER A 101 19.528 -8.770 -9.220 1.00 1.14 H new ATOM 1685 N GLU A 102 15.253 -10.566 -8.903 1.00 0.62 N ATOM 1686 CA GLU A 102 14.571 -11.865 -9.042 1.00 0.60 C ATOM 1687 C GLU A 102 13.210 -11.709 -9.744 1.00 0.58 C ATOM 1688 O GLU A 102 12.875 -12.483 -10.642 1.00 0.67 O ATOM 1689 CB GLU A 102 14.377 -12.518 -7.663 1.00 0.61 C ATOM 1690 CG GLU A 102 15.701 -13.027 -7.078 1.00 1.80 C ATOM 1691 CD GLU A 102 15.484 -13.713 -5.721 1.00 1.91 C ATOM 1692 OE1 GLU A 102 15.079 -14.901 -5.692 1.00 2.44 O ATOM 1693 OE2 GLU A 102 15.729 -13.075 -4.670 1.00 2.85 O ATOM 0 H GLU A 102 15.141 -10.142 -7.982 1.00 0.62 H new ATOM 0 HA GLU A 102 15.201 -12.507 -9.657 1.00 0.60 H new ATOM 0 HB2 GLU A 102 13.932 -11.795 -6.979 1.00 0.61 H new ATOM 0 HB3 GLU A 102 13.676 -13.348 -7.750 1.00 0.61 H new ATOM 0 HG2 GLU A 102 16.162 -13.729 -7.773 1.00 1.80 H new ATOM 0 HG3 GLU A 102 16.393 -12.193 -6.960 1.00 1.80 H new ATOM 1700 N ALA A 103 12.429 -10.686 -9.373 1.00 0.51 N ATOM 1701 CA ALA A 103 11.072 -10.428 -9.866 1.00 0.49 C ATOM 1702 C ALA A 103 11.013 -9.792 -11.274 1.00 0.48 C ATOM 1703 O ALA A 103 10.139 -8.976 -11.558 1.00 0.45 O ATOM 1704 CB ALA A 103 10.320 -9.624 -8.792 1.00 0.47 C ATOM 0 H ALA A 103 12.738 -9.989 -8.695 1.00 0.51 H new ATOM 0 HA ALA A 103 10.570 -11.383 -10.022 1.00 0.49 H new ATOM 0 HB1 ALA A 103 9.306 -9.419 -9.135 1.00 0.47 H new ATOM 0 HB2 ALA A 103 10.281 -10.200 -7.867 1.00 0.47 H new ATOM 0 HB3 ALA A 103 10.840 -8.683 -8.612 1.00 0.47 H new ATOM 1710 N GLN A 104 11.907 -10.181 -12.184 1.00 0.52 N ATOM 1711 CA GLN A 104 11.934 -9.691 -13.568 1.00 0.53 C ATOM 1712 C GLN A 104 10.627 -9.929 -14.360 1.00 0.52 C ATOM 1713 O GLN A 104 10.244 -9.016 -15.099 1.00 0.52 O ATOM 1714 CB GLN A 104 13.145 -10.280 -14.314 1.00 0.61 C ATOM 1715 CG GLN A 104 14.474 -9.711 -13.791 1.00 0.70 C ATOM 1716 CD GLN A 104 15.691 -10.336 -14.479 1.00 0.80 C ATOM 1717 OE1 GLN A 104 15.837 -10.319 -15.696 1.00 0.96 O ATOM 1718 NE2 GLN A 104 16.610 -10.920 -13.736 1.00 1.10 N ATOM 0 H GLN A 104 12.645 -10.855 -11.980 1.00 0.52 H new ATOM 0 HA GLN A 104 12.030 -8.607 -13.501 1.00 0.53 H new ATOM 0 HB2 GLN A 104 13.146 -11.364 -14.204 1.00 0.61 H new ATOM 0 HB3 GLN A 104 13.053 -10.068 -15.379 1.00 0.61 H new ATOM 0 HG2 GLN A 104 14.489 -8.632 -13.944 1.00 0.70 H new ATOM 0 HG3 GLN A 104 14.541 -9.882 -12.717 1.00 0.70 H new ATOM 0 HE21 GLN A 104 16.506 -10.944 -12.722 1.00 1.10 H new ATOM 0 HE22 GLN A 104 17.425 -11.348 -14.175 1.00 1.10 H new ATOM 1727 N PRO A 105 9.900 -11.066 -14.229 1.00 0.53 N ATOM 1728 CA PRO A 105 8.640 -11.259 -14.944 1.00 0.53 C ATOM 1729 C PRO A 105 7.455 -10.556 -14.266 1.00 0.46 C ATOM 1730 O PRO A 105 6.418 -10.386 -14.907 1.00 0.43 O ATOM 1731 CB PRO A 105 8.473 -12.774 -15.060 1.00 0.62 C ATOM 1732 CG PRO A 105 9.183 -13.332 -13.829 1.00 0.64 C ATOM 1733 CD PRO A 105 10.217 -12.267 -13.458 1.00 0.56 C ATOM 0 HA PRO A 105 8.662 -10.796 -15.931 1.00 0.53 H new ATOM 0 HB2 PRO A 105 7.421 -13.057 -15.074 1.00 0.62 H new ATOM 0 HB3 PRO A 105 8.917 -13.153 -15.980 1.00 0.62 H new ATOM 0 HG2 PRO A 105 8.482 -13.504 -13.012 1.00 0.64 H new ATOM 0 HG3 PRO A 105 9.660 -14.288 -14.047 1.00 0.64 H new ATOM 0 HD2 PRO A 105 10.185 -12.057 -12.389 1.00 0.56 H new ATOM 0 HD3 PRO A 105 11.225 -12.614 -13.685 1.00 0.56 H new ATOM 1741 N LEU A 106 7.609 -10.090 -13.016 1.00 0.46 N ATOM 1742 CA LEU A 106 6.675 -9.153 -12.384 1.00 0.41 C ATOM 1743 C LEU A 106 6.919 -7.746 -12.922 1.00 0.35 C ATOM 1744 O LEU A 106 5.984 -7.082 -13.359 1.00 0.33 O ATOM 1745 CB LEU A 106 6.849 -9.221 -10.853 1.00 0.47 C ATOM 1746 CG LEU A 106 5.788 -8.479 -10.019 1.00 0.42 C ATOM 1747 CD1 LEU A 106 4.455 -9.233 -10.021 1.00 1.47 C ATOM 1748 CD2 LEU A 106 6.253 -8.363 -8.557 1.00 1.21 C ATOM 0 H LEU A 106 8.389 -10.356 -12.415 1.00 0.46 H new ATOM 0 HA LEU A 106 5.646 -9.423 -12.620 1.00 0.41 H new ATOM 0 HB2 LEU A 106 6.850 -10.269 -10.554 1.00 0.47 H new ATOM 0 HB3 LEU A 106 7.829 -8.816 -10.600 1.00 0.47 H new ATOM 0 HG LEU A 106 5.656 -7.494 -10.466 1.00 0.42 H new ATOM 0 HD11 LEU A 106 3.726 -8.685 -9.424 1.00 1.47 H new ATOM 0 HD12 LEU A 106 4.091 -9.325 -11.044 1.00 1.47 H new ATOM 0 HD13 LEU A 106 4.598 -10.227 -9.596 1.00 1.47 H new ATOM 0 HD21 LEU A 106 5.496 -7.837 -7.975 1.00 1.21 H new ATOM 0 HD22 LEU A 106 6.401 -9.360 -8.142 1.00 1.21 H new ATOM 0 HD23 LEU A 106 7.191 -7.810 -8.516 1.00 1.21 H new ATOM 1760 N TRP A 107 8.185 -7.328 -12.951 1.00 0.38 N ATOM 1761 CA TRP A 107 8.639 -6.028 -13.431 1.00 0.39 C ATOM 1762 C TRP A 107 8.217 -5.806 -14.884 1.00 0.38 C ATOM 1763 O TRP A 107 7.581 -4.802 -15.186 1.00 0.37 O ATOM 1764 CB TRP A 107 10.165 -5.968 -13.264 1.00 0.46 C ATOM 1765 CG TRP A 107 10.908 -4.715 -13.633 1.00 0.57 C ATOM 1766 CD1 TRP A 107 12.246 -4.680 -13.833 1.00 0.72 C ATOM 1767 CD2 TRP A 107 10.446 -3.336 -13.836 1.00 0.94 C ATOM 1768 NE1 TRP A 107 12.637 -3.405 -14.182 1.00 1.03 N ATOM 1769 CE2 TRP A 107 11.567 -2.547 -14.240 1.00 1.15 C ATOM 1770 CE3 TRP A 107 9.211 -2.656 -13.736 1.00 1.32 C ATOM 1771 CZ2 TRP A 107 11.462 -1.195 -14.592 1.00 1.58 C ATOM 1772 CZ3 TRP A 107 9.087 -1.304 -14.102 1.00 1.74 C ATOM 1773 CH2 TRP A 107 10.205 -0.577 -14.548 1.00 1.84 C ATOM 0 H TRP A 107 8.954 -7.914 -12.626 1.00 0.38 H new ATOM 0 HA TRP A 107 8.179 -5.228 -12.851 1.00 0.39 H new ATOM 0 HB2 TRP A 107 10.386 -6.181 -12.218 1.00 0.46 H new ATOM 0 HB3 TRP A 107 10.589 -6.782 -13.852 1.00 0.46 H new ATOM 0 HD1 TRP A 107 12.910 -5.526 -13.734 1.00 0.72 H new ATOM 0 HE1 TRP A 107 13.601 -3.133 -14.373 1.00 1.03 H new ATOM 0 HE3 TRP A 107 8.344 -3.186 -13.371 1.00 1.32 H new ATOM 0 HZ2 TRP A 107 12.337 -0.637 -14.893 1.00 1.58 H new ATOM 0 HZ3 TRP A 107 8.124 -0.819 -14.040 1.00 1.74 H new ATOM 0 HH2 TRP A 107 10.095 0.453 -14.855 1.00 1.84 H new ATOM 1784 N GLU A 108 8.510 -6.752 -15.779 1.00 0.43 N ATOM 1785 CA GLU A 108 8.257 -6.568 -17.210 1.00 0.50 C ATOM 1786 C GLU A 108 6.750 -6.517 -17.513 1.00 0.44 C ATOM 1787 O GLU A 108 6.300 -5.666 -18.283 1.00 0.44 O ATOM 1788 CB GLU A 108 8.979 -7.663 -18.012 1.00 0.65 C ATOM 1789 CG GLU A 108 9.000 -7.353 -19.515 1.00 0.92 C ATOM 1790 CD GLU A 108 9.979 -8.268 -20.268 1.00 1.74 C ATOM 1791 OE1 GLU A 108 9.727 -9.493 -20.361 1.00 2.87 O ATOM 1792 OE2 GLU A 108 11.005 -7.766 -20.786 1.00 2.35 O ATOM 0 H GLU A 108 8.923 -7.653 -15.538 1.00 0.43 H new ATOM 0 HA GLU A 108 8.661 -5.604 -17.519 1.00 0.50 H new ATOM 0 HB2 GLU A 108 10.001 -7.765 -17.648 1.00 0.65 H new ATOM 0 HB3 GLU A 108 8.485 -8.620 -17.846 1.00 0.65 H new ATOM 0 HG2 GLU A 108 7.998 -7.475 -19.926 1.00 0.92 H new ATOM 0 HG3 GLU A 108 9.283 -6.312 -19.668 1.00 0.92 H new ATOM 1799 N ALA A 109 5.955 -7.374 -16.865 1.00 0.43 N ATOM 1800 CA ALA A 109 4.495 -7.332 -16.953 1.00 0.42 C ATOM 1801 C ALA A 109 3.894 -6.035 -16.392 1.00 0.37 C ATOM 1802 O ALA A 109 3.041 -5.418 -17.032 1.00 0.39 O ATOM 1803 CB ALA A 109 3.960 -8.577 -16.267 1.00 0.45 C ATOM 0 H ALA A 109 6.308 -8.118 -16.263 1.00 0.43 H new ATOM 0 HA ALA A 109 4.192 -7.327 -18.000 1.00 0.42 H new ATOM 0 HB1 ALA A 109 2.871 -8.579 -16.314 1.00 0.45 H new ATOM 0 HB2 ALA A 109 4.346 -9.464 -16.770 1.00 0.45 H new ATOM 0 HB3 ALA A 109 4.278 -8.583 -15.225 1.00 0.45 H new ATOM 1809 N ALA A 110 4.346 -5.589 -15.222 1.00 0.32 N ATOM 1810 CA ALA A 110 3.880 -4.358 -14.587 1.00 0.30 C ATOM 1811 C ALA A 110 4.193 -3.125 -15.452 1.00 0.33 C ATOM 1812 O ALA A 110 3.313 -2.309 -15.734 1.00 0.36 O ATOM 1813 CB ALA A 110 4.552 -4.297 -13.206 1.00 0.31 C ATOM 0 H ALA A 110 5.057 -6.080 -14.680 1.00 0.32 H new ATOM 0 HA ALA A 110 2.796 -4.357 -14.476 1.00 0.30 H new ATOM 0 HB1 ALA A 110 4.236 -3.392 -12.687 1.00 0.31 H new ATOM 0 HB2 ALA A 110 4.262 -5.170 -12.621 1.00 0.31 H new ATOM 0 HB3 ALA A 110 5.635 -4.286 -13.329 1.00 0.31 H new ATOM 1819 N ARG A 111 5.426 -3.057 -15.959 1.00 0.36 N ATOM 1820 CA ARG A 111 5.948 -2.041 -16.882 1.00 0.43 C ATOM 1821 C ARG A 111 5.119 -1.954 -18.168 1.00 0.46 C ATOM 1822 O ARG A 111 4.799 -0.849 -18.609 1.00 0.52 O ATOM 1823 CB ARG A 111 7.407 -2.436 -17.155 1.00 0.54 C ATOM 1824 CG ARG A 111 8.274 -1.525 -18.032 1.00 0.85 C ATOM 1825 CD ARG A 111 9.693 -2.114 -17.971 1.00 1.62 C ATOM 1826 NE ARG A 111 10.666 -1.391 -18.805 1.00 2.64 N ATOM 1827 CZ ARG A 111 11.989 -1.441 -18.659 1.00 3.76 C ATOM 1828 NH1 ARG A 111 12.565 -2.095 -17.666 1.00 4.47 N ATOM 1829 NH2 ARG A 111 12.762 -0.828 -19.530 1.00 4.78 N ATOM 0 H ARG A 111 6.133 -3.753 -15.722 1.00 0.36 H new ATOM 0 HA ARG A 111 5.888 -1.043 -16.448 1.00 0.43 H new ATOM 0 HB2 ARG A 111 7.906 -2.536 -16.191 1.00 0.54 H new ATOM 0 HB3 ARG A 111 7.399 -3.424 -17.615 1.00 0.54 H new ATOM 0 HG2 ARG A 111 7.904 -1.501 -19.057 1.00 0.85 H new ATOM 0 HG3 ARG A 111 8.260 -0.499 -17.664 1.00 0.85 H new ATOM 0 HD2 ARG A 111 10.037 -2.106 -16.937 1.00 1.62 H new ATOM 0 HD3 ARG A 111 9.659 -3.156 -18.288 1.00 1.62 H new ATOM 0 HE ARG A 111 10.298 -0.805 -19.554 1.00 2.64 H new ATOM 0 HH11 ARG A 111 11.993 -2.584 -16.978 1.00 4.47 H new ATOM 0 HH12 ARG A 111 13.582 -2.111 -17.588 1.00 4.47 H new ATOM 0 HH21 ARG A 111 12.347 -0.319 -20.310 1.00 4.78 H new ATOM 0 HH22 ARG A 111 13.776 -0.862 -19.425 1.00 4.78 H new ATOM 1843 N ALA A 112 4.713 -3.102 -18.717 1.00 0.45 N ATOM 1844 CA ALA A 112 3.848 -3.205 -19.893 1.00 0.50 C ATOM 1845 C ALA A 112 2.417 -2.709 -19.623 1.00 0.47 C ATOM 1846 O ALA A 112 1.849 -1.965 -20.419 1.00 0.51 O ATOM 1847 CB ALA A 112 3.839 -4.672 -20.336 1.00 0.53 C ATOM 0 H ALA A 112 4.986 -4.011 -18.344 1.00 0.45 H new ATOM 0 HA ALA A 112 4.241 -2.561 -20.680 1.00 0.50 H new ATOM 0 HB1 ALA A 112 3.201 -4.783 -21.213 1.00 0.53 H new ATOM 0 HB2 ALA A 112 4.854 -4.984 -20.583 1.00 0.53 H new ATOM 0 HB3 ALA A 112 3.455 -5.294 -19.527 1.00 0.53 H new ATOM 1853 N HIS A 113 1.846 -3.070 -18.469 1.00 0.42 N ATOM 1854 CA HIS A 113 0.507 -2.640 -18.037 1.00 0.43 C ATOM 1855 C HIS A 113 0.421 -1.152 -17.602 1.00 0.44 C ATOM 1856 O HIS A 113 -0.690 -0.650 -17.399 1.00 0.47 O ATOM 1857 CB HIS A 113 -0.001 -3.615 -16.960 1.00 0.41 C ATOM 1858 CG HIS A 113 -0.395 -4.940 -17.561 1.00 0.43 C ATOM 1859 ND1 HIS A 113 0.365 -6.085 -17.580 1.00 0.45 N ATOM 1860 CD2 HIS A 113 -1.566 -5.234 -18.212 1.00 0.49 C ATOM 1861 CE1 HIS A 113 -0.325 -7.044 -18.223 1.00 0.49 C ATOM 1862 NE2 HIS A 113 -1.515 -6.573 -18.633 1.00 0.52 N ATOM 0 H HIS A 113 2.308 -3.680 -17.795 1.00 0.42 H new ATOM 0 HA HIS A 113 -0.155 -2.681 -18.902 1.00 0.43 H new ATOM 0 HB2 HIS A 113 0.776 -3.770 -16.211 1.00 0.41 H new ATOM 0 HB3 HIS A 113 -0.857 -3.178 -16.446 1.00 0.41 H new ATOM 0 HD1 HIS A 113 1.295 -6.190 -17.175 1.00 0.45 H new ATOM 0 HD2 HIS A 113 -2.388 -4.552 -18.373 1.00 0.49 H new ATOM 0 HE1 HIS A 113 0.028 -8.051 -18.387 1.00 0.49 H new ATOM 1870 N GLY A 114 1.557 -0.455 -17.435 1.00 0.43 N ATOM 1871 CA GLY A 114 1.623 0.985 -17.125 1.00 0.46 C ATOM 1872 C GLY A 114 2.107 1.311 -15.708 1.00 0.47 C ATOM 1873 O GLY A 114 2.247 2.484 -15.367 1.00 0.55 O ATOM 0 H GLY A 114 2.478 -0.887 -17.513 1.00 0.43 H new ATOM 0 HA2 GLY A 114 2.288 1.467 -17.842 1.00 0.46 H new ATOM 0 HA3 GLY A 114 0.633 1.419 -17.266 1.00 0.46 H new ATOM 1877 N LEU A 115 2.426 0.298 -14.898 1.00 0.44 N ATOM 1878 CA LEU A 115 2.958 0.421 -13.538 1.00 0.44 C ATOM 1879 C LEU A 115 4.490 0.616 -13.605 1.00 0.51 C ATOM 1880 O LEU A 115 5.262 -0.231 -13.152 1.00 0.92 O ATOM 1881 CB LEU A 115 2.556 -0.823 -12.714 1.00 0.44 C ATOM 1882 CG LEU A 115 1.050 -1.098 -12.497 1.00 0.46 C ATOM 1883 CD1 LEU A 115 0.328 -1.694 -13.719 1.00 0.90 C ATOM 1884 CD2 LEU A 115 0.918 -2.104 -11.346 1.00 0.96 C ATOM 0 H LEU A 115 2.315 -0.674 -15.185 1.00 0.44 H new ATOM 0 HA LEU A 115 2.537 1.293 -13.037 1.00 0.44 H new ATOM 0 HB2 LEU A 115 2.988 -1.698 -13.199 1.00 0.44 H new ATOM 0 HB3 LEU A 115 3.024 -0.739 -11.733 1.00 0.44 H new ATOM 0 HG LEU A 115 0.583 -0.135 -12.292 1.00 0.46 H new ATOM 0 HD11 LEU A 115 -0.723 -1.855 -13.478 1.00 0.90 H new ATOM 0 HD12 LEU A 115 0.406 -1.005 -14.560 1.00 0.90 H new ATOM 0 HD13 LEU A 115 0.789 -2.645 -13.986 1.00 0.90 H new ATOM 0 HD21 LEU A 115 -0.136 -2.318 -11.169 1.00 0.96 H new ATOM 0 HD22 LEU A 115 1.437 -3.026 -11.608 1.00 0.96 H new ATOM 0 HD23 LEU A 115 1.359 -1.683 -10.443 1.00 0.96 H new ATOM 1896 N ARG A 116 4.939 1.710 -14.237 1.00 0.53 N ATOM 1897 CA ARG A 116 6.357 1.947 -14.568 1.00 0.52 C ATOM 1898 C ARG A 116 7.262 2.054 -13.328 1.00 0.49 C ATOM 1899 O ARG A 116 8.411 1.636 -13.400 1.00 0.57 O ATOM 1900 CB ARG A 116 6.522 3.216 -15.422 1.00 0.60 C ATOM 1901 CG ARG A 116 6.308 3.043 -16.934 1.00 0.93 C ATOM 1902 CD ARG A 116 4.867 2.764 -17.372 1.00 1.48 C ATOM 1903 NE ARG A 116 4.569 3.422 -18.655 1.00 1.70 N ATOM 1904 CZ ARG A 116 4.426 2.874 -19.856 1.00 2.19 C ATOM 1905 NH1 ARG A 116 4.486 1.576 -20.072 1.00 2.99 N ATOM 1906 NH2 ARG A 116 4.219 3.657 -20.892 1.00 2.64 N ATOM 0 H ARG A 116 4.323 2.465 -14.537 1.00 0.53 H new ATOM 0 HA ARG A 116 6.674 1.072 -15.135 1.00 0.52 H new ATOM 0 HB2 ARG A 116 5.821 3.968 -15.060 1.00 0.60 H new ATOM 0 HB3 ARG A 116 7.525 3.611 -15.260 1.00 0.60 H new ATOM 0 HG2 ARG A 116 6.653 3.946 -17.437 1.00 0.93 H new ATOM 0 HG3 ARG A 116 6.939 2.224 -17.281 1.00 0.93 H new ATOM 0 HD2 ARG A 116 4.713 1.689 -17.466 1.00 1.48 H new ATOM 0 HD3 ARG A 116 4.176 3.119 -16.608 1.00 1.48 H new ATOM 0 HE ARG A 116 4.457 4.435 -18.616 1.00 1.70 H new ATOM 0 HH11 ARG A 116 4.650 0.937 -19.294 1.00 2.99 H new ATOM 0 HH12 ARG A 116 4.369 1.210 -21.017 1.00 2.99 H new ATOM 0 HH21 ARG A 116 4.171 4.668 -20.766 1.00 2.64 H new ATOM 0 HH22 ARG A 116 4.107 3.253 -21.822 1.00 2.64 H new ATOM 1920 N ARG A 117 6.767 2.584 -12.206 1.00 0.49 N ATOM 1921 CA ARG A 117 7.402 2.580 -10.872 1.00 0.45 C ATOM 1922 C ARG A 117 6.307 2.602 -9.797 1.00 0.51 C ATOM 1923 O ARG A 117 5.120 2.720 -10.112 1.00 0.69 O ATOM 1924 CB ARG A 117 8.374 3.773 -10.681 1.00 0.54 C ATOM 1925 CG ARG A 117 9.595 3.818 -11.615 1.00 0.67 C ATOM 1926 CD ARG A 117 10.571 2.633 -11.522 1.00 0.57 C ATOM 1927 NE ARG A 117 11.568 2.798 -10.448 1.00 1.00 N ATOM 1928 CZ ARG A 117 12.818 3.222 -10.590 1.00 1.39 C ATOM 1929 NH1 ARG A 117 13.286 3.729 -11.712 1.00 2.13 N ATOM 1930 NH2 ARG A 117 13.635 3.120 -9.568 1.00 1.87 N ATOM 0 H ARG A 117 5.862 3.055 -12.197 1.00 0.49 H new ATOM 0 HA ARG A 117 7.998 1.672 -10.781 1.00 0.45 H new ATOM 0 HB2 ARG A 117 7.810 4.697 -10.811 1.00 0.54 H new ATOM 0 HB3 ARG A 117 8.732 3.760 -9.652 1.00 0.54 H new ATOM 0 HG2 ARG A 117 9.237 3.886 -12.642 1.00 0.67 H new ATOM 0 HG3 ARG A 117 10.149 4.734 -11.409 1.00 0.67 H new ATOM 0 HD2 ARG A 117 10.007 1.716 -11.351 1.00 0.57 H new ATOM 0 HD3 ARG A 117 11.086 2.517 -12.475 1.00 0.57 H new ATOM 0 HE ARG A 117 11.267 2.563 -9.502 1.00 1.00 H new ATOM 0 HH11 ARG A 117 12.678 3.811 -12.527 1.00 2.13 H new ATOM 0 HH12 ARG A 117 14.256 4.040 -11.766 1.00 2.13 H new ATOM 0 HH21 ARG A 117 13.305 2.722 -8.689 1.00 1.87 H new ATOM 0 HH22 ARG A 117 14.600 3.439 -9.653 1.00 1.87 H new ATOM 1944 N GLY A 118 6.690 2.505 -8.526 1.00 0.45 N ATOM 1945 CA GLY A 118 5.765 2.618 -7.398 1.00 0.48 C ATOM 1946 C GLY A 118 6.423 2.947 -6.065 1.00 0.50 C ATOM 1947 O GLY A 118 7.647 3.022 -5.951 1.00 0.52 O ATOM 0 H GLY A 118 7.658 2.345 -8.247 1.00 0.45 H new ATOM 0 HA2 GLY A 118 5.030 3.390 -7.625 1.00 0.48 H new ATOM 0 HA3 GLY A 118 5.221 1.679 -7.297 1.00 0.48 H new ATOM 1951 N VAL A 119 5.570 3.161 -5.069 1.00 0.55 N ATOM 1952 CA VAL A 119 5.913 3.501 -3.679 1.00 0.58 C ATOM 1953 C VAL A 119 5.039 2.662 -2.742 1.00 0.61 C ATOM 1954 O VAL A 119 3.851 2.484 -3.019 1.00 0.65 O ATOM 1955 CB VAL A 119 5.749 5.015 -3.393 1.00 0.63 C ATOM 1956 CG1 VAL A 119 6.740 5.851 -4.226 1.00 0.74 C ATOM 1957 CG2 VAL A 119 4.335 5.560 -3.661 1.00 0.77 C ATOM 0 H VAL A 119 4.562 3.100 -5.211 1.00 0.55 H new ATOM 0 HA VAL A 119 6.965 3.272 -3.508 1.00 0.58 H new ATOM 0 HB VAL A 119 5.951 5.110 -2.326 1.00 0.63 H new ATOM 0 HG11 VAL A 119 6.601 6.909 -4.003 1.00 0.74 H new ATOM 0 HG12 VAL A 119 7.760 5.559 -3.978 1.00 0.74 H new ATOM 0 HG13 VAL A 119 6.561 5.677 -5.287 1.00 0.74 H new ATOM 0 HG21 VAL A 119 4.307 6.626 -3.436 1.00 0.77 H new ATOM 0 HG22 VAL A 119 4.077 5.404 -4.709 1.00 0.77 H new ATOM 0 HG23 VAL A 119 3.618 5.037 -3.029 1.00 0.77 H new ATOM 1967 N THR A 120 5.621 2.117 -1.665 1.00 0.61 N ATOM 1968 CA THR A 120 5.026 1.021 -0.878 1.00 0.58 C ATOM 1969 C THR A 120 5.224 1.238 0.619 1.00 0.62 C ATOM 1970 O THR A 120 6.225 1.809 1.049 1.00 0.75 O ATOM 1971 CB THR A 120 5.630 -0.309 -1.341 1.00 0.57 C ATOM 1972 OG1 THR A 120 5.293 -0.531 -2.689 1.00 0.58 O ATOM 1973 CG2 THR A 120 5.131 -1.516 -0.552 1.00 0.67 C ATOM 0 H THR A 120 6.526 2.425 -1.310 1.00 0.61 H new ATOM 0 HA THR A 120 3.949 1.001 -1.047 1.00 0.58 H new ATOM 0 HB THR A 120 6.705 -0.219 -1.186 1.00 0.57 H new ATOM 0 HG1 THR A 120 5.265 -1.495 -2.865 1.00 0.58 H new ATOM 0 HG21 THR A 120 5.601 -2.421 -0.936 1.00 0.67 H new ATOM 0 HG22 THR A 120 5.385 -1.393 0.501 1.00 0.67 H new ATOM 0 HG23 THR A 120 4.049 -1.597 -0.657 1.00 0.67 H new ATOM 1981 N GLN A 121 4.260 0.804 1.429 1.00 0.57 N ATOM 1982 CA GLN A 121 4.251 1.025 2.875 1.00 0.68 C ATOM 1983 C GLN A 121 3.670 -0.137 3.690 1.00 0.64 C ATOM 1984 O GLN A 121 2.957 -1.006 3.189 1.00 0.48 O ATOM 1985 CB GLN A 121 3.487 2.323 3.185 1.00 0.82 C ATOM 1986 CG GLN A 121 4.375 3.550 3.439 1.00 1.38 C ATOM 1987 CD GLN A 121 5.388 3.435 4.577 1.00 1.98 C ATOM 1988 OE1 GLN A 121 5.306 2.590 5.451 1.00 2.58 O ATOM 1989 NE2 GLN A 121 6.385 4.293 4.616 1.00 2.98 N ATOM 0 H GLN A 121 3.451 0.281 1.095 1.00 0.57 H new ATOM 0 HA GLN A 121 5.294 1.103 3.182 1.00 0.68 H new ATOM 0 HB2 GLN A 121 2.819 2.542 2.352 1.00 0.82 H new ATOM 0 HB3 GLN A 121 2.860 2.158 4.061 1.00 0.82 H new ATOM 0 HG2 GLN A 121 4.918 3.774 2.521 1.00 1.38 H new ATOM 0 HG3 GLN A 121 3.728 4.403 3.643 1.00 1.38 H new ATOM 0 HE21 GLN A 121 6.471 5.008 3.894 1.00 2.98 H new ATOM 0 HE22 GLN A 121 7.072 4.243 5.369 1.00 2.98 H new ATOM 1998 N TYR A 122 4.001 -0.098 4.983 1.00 0.93 N ATOM 1999 CA TYR A 122 3.842 -1.147 5.989 1.00 0.87 C ATOM 2000 C TYR A 122 3.781 -0.518 7.395 1.00 0.94 C ATOM 2001 O TYR A 122 4.438 0.494 7.655 1.00 1.12 O ATOM 2002 CB TYR A 122 5.048 -2.093 5.831 1.00 1.01 C ATOM 2003 CG TYR A 122 5.379 -3.035 6.974 1.00 0.94 C ATOM 2004 CD1 TYR A 122 6.012 -2.552 8.137 1.00 2.10 C ATOM 2005 CD2 TYR A 122 5.132 -4.413 6.840 1.00 1.49 C ATOM 2006 CE1 TYR A 122 6.357 -3.435 9.178 1.00 2.04 C ATOM 2007 CE2 TYR A 122 5.467 -5.301 7.878 1.00 1.61 C ATOM 2008 CZ TYR A 122 6.085 -4.816 9.051 1.00 1.00 C ATOM 2009 OH TYR A 122 6.440 -5.676 10.046 1.00 1.10 O ATOM 0 H TYR A 122 4.422 0.739 5.385 1.00 0.93 H new ATOM 0 HA TYR A 122 2.914 -1.704 5.857 1.00 0.87 H new ATOM 0 HB2 TYR A 122 4.881 -2.698 4.940 1.00 1.01 H new ATOM 0 HB3 TYR A 122 5.929 -1.480 5.640 1.00 1.01 H new ATOM 0 HD1 TYR A 122 6.234 -1.499 8.230 1.00 2.10 H new ATOM 0 HD2 TYR A 122 4.682 -4.792 5.934 1.00 1.49 H new ATOM 0 HE1 TYR A 122 6.829 -3.057 10.073 1.00 2.04 H new ATOM 0 HE2 TYR A 122 5.251 -6.354 7.778 1.00 1.61 H new ATOM 0 HH TYR A 122 6.179 -6.588 9.799 1.00 1.10 H new ATOM 2019 N LEU A 123 3.047 -1.136 8.327 1.00 0.86 N ATOM 2020 CA LEU A 123 3.028 -0.730 9.738 1.00 0.95 C ATOM 2021 C LEU A 123 2.775 -1.947 10.633 1.00 1.01 C ATOM 2022 O LEU A 123 1.836 -2.700 10.386 1.00 1.10 O ATOM 2023 CB LEU A 123 1.950 0.361 9.951 1.00 0.90 C ATOM 2024 CG LEU A 123 2.345 1.549 10.854 1.00 1.22 C ATOM 2025 CD1 LEU A 123 2.802 1.121 12.254 1.00 1.60 C ATOM 2026 CD2 LEU A 123 3.407 2.451 10.206 1.00 2.40 C ATOM 0 H LEU A 123 2.447 -1.935 8.124 1.00 0.86 H new ATOM 0 HA LEU A 123 3.997 -0.312 10.011 1.00 0.95 H new ATOM 0 HB2 LEU A 123 1.664 0.754 8.975 1.00 0.90 H new ATOM 0 HB3 LEU A 123 1.065 -0.112 10.376 1.00 0.90 H new ATOM 0 HG LEU A 123 1.428 2.126 10.971 1.00 1.22 H new ATOM 0 HD11 LEU A 123 3.065 2.004 12.837 1.00 1.60 H new ATOM 0 HD12 LEU A 123 1.994 0.585 12.752 1.00 1.60 H new ATOM 0 HD13 LEU A 123 3.672 0.470 12.170 1.00 1.60 H new ATOM 0 HD21 LEU A 123 3.649 3.271 10.882 1.00 2.40 H new ATOM 0 HD22 LEU A 123 4.306 1.868 10.005 1.00 2.40 H new ATOM 0 HD23 LEU A 123 3.020 2.855 9.270 1.00 2.40 H new ATOM 2038 N MET A 124 3.577 -2.111 11.687 1.00 1.16 N ATOM 2039 CA MET A 124 3.416 -3.153 12.711 1.00 1.35 C ATOM 2040 C MET A 124 3.051 -2.492 14.047 1.00 1.62 C ATOM 2041 O MET A 124 3.656 -1.495 14.447 1.00 1.72 O ATOM 2042 CB MET A 124 4.714 -3.969 12.810 1.00 1.35 C ATOM 2043 CG MET A 124 4.641 -5.205 13.723 1.00 1.68 C ATOM 2044 SD MET A 124 3.697 -6.633 13.116 1.00 1.67 S ATOM 2045 CE MET A 124 2.051 -6.324 13.805 1.00 1.75 C ATOM 0 H MET A 124 4.380 -1.507 11.859 1.00 1.16 H new ATOM 0 HA MET A 124 2.611 -3.837 12.443 1.00 1.35 H new ATOM 0 HB2 MET A 124 4.998 -4.293 11.809 1.00 1.35 H new ATOM 0 HB3 MET A 124 5.508 -3.316 13.172 1.00 1.35 H new ATOM 0 HG2 MET A 124 5.660 -5.535 13.926 1.00 1.68 H new ATOM 0 HG3 MET A 124 4.211 -4.896 14.676 1.00 1.68 H new ATOM 0 HE1 MET A 124 1.522 -7.270 13.922 1.00 1.75 H new ATOM 0 HE2 MET A 124 2.148 -5.840 14.777 1.00 1.75 H new ATOM 0 HE3 MET A 124 1.490 -5.676 13.131 1.00 1.75 H new ATOM 2055 N LEU A 125 2.035 -3.039 14.719 1.00 1.77 N ATOM 2056 CA LEU A 125 1.349 -2.444 15.869 1.00 1.95 C ATOM 2057 C LEU A 125 0.807 -3.545 16.813 1.00 1.70 C ATOM 2058 O LEU A 125 0.493 -4.637 16.331 1.00 1.71 O ATOM 2059 CB LEU A 125 0.263 -1.449 15.381 1.00 2.63 C ATOM 2060 CG LEU A 125 -0.880 -1.995 14.488 1.00 1.25 C ATOM 2061 CD1 LEU A 125 -2.045 -0.990 14.491 1.00 1.86 C ATOM 2062 CD2 LEU A 125 -0.475 -2.235 13.023 1.00 2.56 C ATOM 0 H LEU A 125 1.651 -3.949 14.465 1.00 1.77 H new ATOM 0 HA LEU A 125 2.056 -1.866 16.464 1.00 1.95 H new ATOM 0 HB2 LEU A 125 -0.191 -0.993 16.261 1.00 2.63 H new ATOM 0 HB3 LEU A 125 0.764 -0.652 14.831 1.00 2.63 H new ATOM 0 HG LEU A 125 -1.157 -2.960 14.913 1.00 1.25 H new ATOM 0 HD11 LEU A 125 -2.853 -1.368 13.864 1.00 1.86 H new ATOM 0 HD12 LEU A 125 -2.408 -0.857 15.510 1.00 1.86 H new ATOM 0 HD13 LEU A 125 -1.700 -0.032 14.100 1.00 1.86 H new ATOM 0 HD21 LEU A 125 -1.331 -2.617 12.467 1.00 2.56 H new ATOM 0 HD22 LEU A 125 -0.143 -1.297 12.579 1.00 2.56 H new ATOM 0 HD23 LEU A 125 0.336 -2.962 12.984 1.00 2.56 H new ATOM 2074 N PRO A 126 0.713 -3.296 18.138 1.00 1.64 N ATOM 2075 CA PRO A 126 0.445 -4.330 19.143 1.00 1.64 C ATOM 2076 C PRO A 126 -1.026 -4.779 19.230 1.00 1.81 C ATOM 2077 O PRO A 126 -1.302 -5.790 19.874 1.00 2.00 O ATOM 2078 CB PRO A 126 0.932 -3.734 20.469 1.00 1.69 C ATOM 2079 CG PRO A 126 0.706 -2.238 20.279 1.00 1.73 C ATOM 2080 CD PRO A 126 1.048 -2.040 18.804 1.00 1.71 C ATOM 0 HA PRO A 126 0.966 -5.249 18.873 1.00 1.64 H new ATOM 0 HB2 PRO A 126 0.368 -4.122 21.317 1.00 1.69 H new ATOM 0 HB3 PRO A 126 1.982 -3.963 20.653 1.00 1.69 H new ATOM 0 HG2 PRO A 126 -0.322 -1.951 20.500 1.00 1.73 H new ATOM 0 HG3 PRO A 126 1.349 -1.644 20.929 1.00 1.73 H new ATOM 0 HD2 PRO A 126 0.481 -1.211 18.380 1.00 1.71 H new ATOM 0 HD3 PRO A 126 2.104 -1.801 18.677 1.00 1.71 H new ATOM 2088 N GLU A 127 -1.964 -4.053 18.610 1.00 1.91 N ATOM 2089 CA GLU A 127 -3.388 -4.408 18.531 1.00 2.21 C ATOM 2090 C GLU A 127 -3.844 -4.413 17.057 1.00 3.25 C ATOM 2091 O GLU A 127 -3.342 -3.615 16.264 1.00 5.01 O ATOM 2092 CB GLU A 127 -4.208 -3.419 19.386 1.00 2.56 C ATOM 2093 CG GLU A 127 -5.525 -4.045 19.861 1.00 2.12 C ATOM 2094 CD GLU A 127 -6.398 -3.124 20.739 1.00 2.98 C ATOM 2095 OE1 GLU A 127 -5.971 -2.018 21.151 1.00 3.56 O ATOM 2096 OE2 GLU A 127 -7.551 -3.526 21.028 1.00 4.00 O ATOM 0 H GLU A 127 -1.748 -3.176 18.135 1.00 1.91 H new ATOM 0 HA GLU A 127 -3.550 -5.410 18.927 1.00 2.21 H new ATOM 0 HB2 GLU A 127 -3.620 -3.108 20.249 1.00 2.56 H new ATOM 0 HB3 GLU A 127 -4.419 -2.522 18.804 1.00 2.56 H new ATOM 0 HG2 GLU A 127 -6.104 -4.347 18.988 1.00 2.12 H new ATOM 0 HG3 GLU A 127 -5.299 -4.952 20.422 1.00 2.12 H new ATOM 2103 N ARG A 128 -4.779 -5.310 16.697 1.00 3.01 N ATOM 2104 CA ARG A 128 -5.312 -5.552 15.335 1.00 3.93 C ATOM 2105 C ARG A 128 -4.331 -6.385 14.467 1.00 2.44 C ATOM 2106 O ARG A 128 -3.365 -6.961 14.974 1.00 2.43 O ATOM 2107 CB ARG A 128 -5.780 -4.248 14.630 1.00 5.91 C ATOM 2108 CG ARG A 128 -6.739 -3.361 15.448 1.00 7.83 C ATOM 2109 CD ARG A 128 -8.126 -3.983 15.685 1.00 8.39 C ATOM 2110 NE ARG A 128 -8.850 -3.229 16.725 1.00 9.67 N ATOM 2111 CZ ARG A 128 -8.907 -3.546 18.014 1.00 9.86 C ATOM 2112 NH1 ARG A 128 -8.563 -4.730 18.469 1.00 9.01 N ATOM 2113 NH2 ARG A 128 -9.284 -2.659 18.905 1.00 11.17 N ATOM 0 H ARG A 128 -5.212 -5.924 17.387 1.00 3.01 H new ATOM 0 HA ARG A 128 -6.210 -6.157 15.457 1.00 3.93 H new ATOM 0 HB2 ARG A 128 -4.900 -3.659 14.371 1.00 5.91 H new ATOM 0 HB3 ARG A 128 -6.270 -4.517 13.694 1.00 5.91 H new ATOM 0 HG2 ARG A 128 -6.281 -3.144 16.413 1.00 7.83 H new ATOM 0 HG3 ARG A 128 -6.864 -2.409 14.933 1.00 7.83 H new ATOM 0 HD2 ARG A 128 -8.698 -3.979 14.757 1.00 8.39 H new ATOM 0 HD3 ARG A 128 -8.019 -5.024 15.988 1.00 8.39 H new ATOM 0 HE ARG A 128 -9.351 -2.391 16.429 1.00 9.67 H new ATOM 0 HH11 ARG A 128 -8.236 -5.449 17.824 1.00 9.01 H new ATOM 0 HH12 ARG A 128 -8.623 -4.930 19.467 1.00 9.01 H new ATOM 0 HH21 ARG A 128 -9.537 -1.716 18.610 1.00 11.17 H new ATOM 0 HH22 ARG A 128 -9.324 -2.913 19.892 1.00 11.17 H new ATOM 2127 N ALA A 129 -4.621 -6.509 13.166 1.00 2.31 N ATOM 2128 CA ALA A 129 -3.901 -7.339 12.190 1.00 1.15 C ATOM 2129 C ALA A 129 -2.627 -6.668 11.622 1.00 1.00 C ATOM 2130 O ALA A 129 -2.183 -5.629 12.116 1.00 1.57 O ATOM 2131 CB ALA A 129 -4.907 -7.663 11.074 1.00 1.73 C ATOM 0 H ALA A 129 -5.403 -6.009 12.744 1.00 2.31 H new ATOM 0 HA ALA A 129 -3.533 -8.240 12.681 1.00 1.15 H new ATOM 0 HB1 ALA A 129 -4.424 -8.281 10.317 1.00 1.73 H new ATOM 0 HB2 ALA A 129 -5.756 -8.202 11.495 1.00 1.73 H new ATOM 0 HB3 ALA A 129 -5.255 -6.736 10.618 1.00 1.73 H new ATOM 2137 N LEU A 130 -2.081 -7.241 10.540 1.00 0.65 N ATOM 2138 CA LEU A 130 -1.146 -6.572 9.626 1.00 0.67 C ATOM 2139 C LEU A 130 -1.865 -6.133 8.339 1.00 0.56 C ATOM 2140 O LEU A 130 -2.869 -6.720 7.931 1.00 0.60 O ATOM 2141 CB LEU A 130 0.053 -7.499 9.306 1.00 0.95 C ATOM 2142 CG LEU A 130 1.315 -7.244 10.156 1.00 1.45 C ATOM 2143 CD1 LEU A 130 2.398 -8.282 9.830 1.00 1.96 C ATOM 2144 CD2 LEU A 130 1.896 -5.849 9.898 1.00 2.82 C ATOM 0 H LEU A 130 -2.282 -8.204 10.271 1.00 0.65 H new ATOM 0 HA LEU A 130 -0.762 -5.677 10.116 1.00 0.67 H new ATOM 0 HB2 LEU A 130 -0.259 -8.534 9.446 1.00 0.95 H new ATOM 0 HB3 LEU A 130 0.312 -7.384 8.253 1.00 0.95 H new ATOM 0 HG LEU A 130 1.016 -7.321 11.201 1.00 1.45 H new ATOM 0 HD11 LEU A 130 3.282 -8.089 10.438 1.00 1.96 H new ATOM 0 HD12 LEU A 130 2.021 -9.282 10.046 1.00 1.96 H new ATOM 0 HD13 LEU A 130 2.661 -8.214 8.774 1.00 1.96 H new ATOM 0 HD21 LEU A 130 2.784 -5.705 10.514 1.00 2.82 H new ATOM 0 HD22 LEU A 130 2.165 -5.756 8.846 1.00 2.82 H new ATOM 0 HD23 LEU A 130 1.153 -5.093 10.151 1.00 2.82 H new ATOM 2156 N GLY A 131 -1.325 -5.095 7.698 1.00 0.61 N ATOM 2157 CA GLY A 131 -1.767 -4.580 6.400 1.00 0.55 C ATOM 2158 C GLY A 131 -0.698 -3.731 5.716 1.00 0.59 C ATOM 2159 O GLY A 131 0.202 -3.197 6.369 1.00 0.75 O ATOM 0 H GLY A 131 -0.539 -4.570 8.082 1.00 0.61 H new ATOM 0 HA2 GLY A 131 -2.033 -5.415 5.752 1.00 0.55 H new ATOM 0 HA3 GLY A 131 -2.669 -3.983 6.537 1.00 0.55 H new ATOM 2163 N PHE A 132 -0.815 -3.612 4.395 1.00 0.54 N ATOM 2164 CA PHE A 132 0.157 -2.974 3.501 1.00 0.51 C ATOM 2165 C PHE A 132 -0.578 -2.150 2.430 1.00 0.47 C ATOM 2166 O PHE A 132 -1.742 -2.426 2.122 1.00 0.56 O ATOM 2167 CB PHE A 132 1.061 -4.041 2.839 1.00 0.62 C ATOM 2168 CG PHE A 132 1.419 -5.259 3.685 1.00 1.07 C ATOM 2169 CD1 PHE A 132 2.126 -5.113 4.894 1.00 2.50 C ATOM 2170 CD2 PHE A 132 1.021 -6.546 3.273 1.00 1.96 C ATOM 2171 CE1 PHE A 132 2.402 -6.237 5.694 1.00 3.32 C ATOM 2172 CE2 PHE A 132 1.317 -7.671 4.061 1.00 2.73 C ATOM 2173 CZ PHE A 132 2.011 -7.518 5.273 1.00 3.09 C ATOM 0 H PHE A 132 -1.626 -3.973 3.893 1.00 0.54 H new ATOM 0 HA PHE A 132 0.789 -2.305 4.085 1.00 0.51 H new ATOM 0 HB2 PHE A 132 0.567 -4.390 1.933 1.00 0.62 H new ATOM 0 HB3 PHE A 132 1.988 -3.557 2.530 1.00 0.62 H new ATOM 0 HD1 PHE A 132 2.458 -4.134 5.208 1.00 2.50 H new ATOM 0 HD2 PHE A 132 0.484 -6.669 2.344 1.00 1.96 H new ATOM 0 HE1 PHE A 132 2.917 -6.114 6.636 1.00 3.32 H new ATOM 0 HE2 PHE A 132 1.011 -8.654 3.735 1.00 2.73 H new ATOM 0 HZ PHE A 132 2.243 -8.382 5.878 1.00 3.09 H new ATOM 2183 N LEU A 133 0.094 -1.164 1.828 1.00 0.44 N ATOM 2184 CA LEU A 133 -0.442 -0.413 0.683 1.00 0.41 C ATOM 2185 C LEU A 133 0.648 -0.016 -0.310 1.00 0.42 C ATOM 2186 O LEU A 133 1.823 0.077 0.048 1.00 0.45 O ATOM 2187 CB LEU A 133 -1.324 0.771 1.148 1.00 0.44 C ATOM 2188 CG LEU A 133 -0.628 1.943 1.882 1.00 0.51 C ATOM 2189 CD1 LEU A 133 0.159 2.891 0.959 1.00 1.35 C ATOM 2190 CD2 LEU A 133 -1.701 2.796 2.577 1.00 1.53 C ATOM 0 H LEU A 133 1.024 -0.862 2.118 1.00 0.44 H new ATOM 0 HA LEU A 133 -1.101 -1.080 0.127 1.00 0.41 H new ATOM 0 HB2 LEU A 133 -1.829 1.177 0.272 1.00 0.44 H new ATOM 0 HB3 LEU A 133 -2.097 0.375 1.807 1.00 0.44 H new ATOM 0 HG LEU A 133 0.079 1.483 2.572 1.00 0.51 H new ATOM 0 HD11 LEU A 133 0.615 3.683 1.554 1.00 1.35 H new ATOM 0 HD12 LEU A 133 0.938 2.331 0.442 1.00 1.35 H new ATOM 0 HD13 LEU A 133 -0.518 3.331 0.227 1.00 1.35 H new ATOM 0 HD21 LEU A 133 -1.224 3.626 3.099 1.00 1.53 H new ATOM 0 HD22 LEU A 133 -2.395 3.186 1.832 1.00 1.53 H new ATOM 0 HD23 LEU A 133 -2.246 2.182 3.294 1.00 1.53 H new ATOM 2202 N SER A 134 0.250 0.240 -1.553 1.00 0.45 N ATOM 2203 CA SER A 134 1.115 0.811 -2.592 1.00 0.55 C ATOM 2204 C SER A 134 0.363 1.763 -3.528 1.00 0.60 C ATOM 2205 O SER A 134 -0.825 1.573 -3.806 1.00 0.69 O ATOM 2206 CB SER A 134 1.774 -0.273 -3.456 1.00 0.68 C ATOM 2207 OG SER A 134 2.626 -1.100 -2.690 1.00 1.25 O ATOM 0 H SER A 134 -0.699 0.055 -1.877 1.00 0.45 H new ATOM 0 HA SER A 134 1.878 1.366 -2.046 1.00 0.55 H new ATOM 0 HB2 SER A 134 1.003 -0.882 -3.928 1.00 0.68 H new ATOM 0 HB3 SER A 134 2.345 0.196 -4.257 1.00 0.68 H new ATOM 0 HG SER A 134 3.557 -0.828 -2.829 1.00 1.25 H new ATOM 2213 N PHE A 135 1.084 2.753 -4.061 1.00 0.58 N ATOM 2214 CA PHE A 135 0.722 3.455 -5.292 1.00 0.57 C ATOM 2215 C PHE A 135 1.698 3.039 -6.407 1.00 0.50 C ATOM 2216 O PHE A 135 2.912 3.005 -6.185 1.00 0.48 O ATOM 2217 CB PHE A 135 0.777 4.980 -5.091 1.00 0.63 C ATOM 2218 CG PHE A 135 0.088 5.592 -3.880 1.00 0.71 C ATOM 2219 CD1 PHE A 135 -1.161 5.105 -3.442 1.00 2.04 C ATOM 2220 CD2 PHE A 135 0.669 6.705 -3.228 1.00 2.11 C ATOM 2221 CE1 PHE A 135 -1.822 5.714 -2.361 1.00 2.08 C ATOM 2222 CE2 PHE A 135 -0.011 7.325 -2.163 1.00 2.24 C ATOM 2223 CZ PHE A 135 -1.251 6.830 -1.727 1.00 1.14 C ATOM 0 H PHE A 135 1.949 3.094 -3.642 1.00 0.58 H new ATOM 0 HA PHE A 135 -0.298 3.188 -5.568 1.00 0.57 H new ATOM 0 HB2 PHE A 135 1.827 5.269 -5.052 1.00 0.63 H new ATOM 0 HB3 PHE A 135 0.352 5.444 -5.981 1.00 0.63 H new ATOM 0 HD1 PHE A 135 -1.612 4.259 -3.940 1.00 2.04 H new ATOM 0 HD2 PHE A 135 1.631 7.078 -3.546 1.00 2.11 H new ATOM 0 HE1 PHE A 135 -2.769 5.324 -2.018 1.00 2.08 H new ATOM 0 HE2 PHE A 135 0.423 8.187 -1.678 1.00 2.24 H new ATOM 0 HZ PHE A 135 -1.765 7.307 -0.905 1.00 1.14 H new ATOM 2233 N SER A 136 1.194 2.759 -7.607 1.00 0.47 N ATOM 2234 CA SER A 136 1.985 2.656 -8.844 1.00 0.43 C ATOM 2235 C SER A 136 1.808 3.923 -9.696 1.00 0.69 C ATOM 2236 O SER A 136 0.801 4.618 -9.564 1.00 1.08 O ATOM 2237 CB SER A 136 1.593 1.405 -9.649 1.00 0.58 C ATOM 2238 OG SER A 136 0.221 1.389 -10.010 1.00 1.85 O ATOM 0 H SER A 136 0.199 2.592 -7.756 1.00 0.47 H new ATOM 0 HA SER A 136 3.036 2.562 -8.569 1.00 0.43 H new ATOM 0 HB2 SER A 136 2.202 1.354 -10.552 1.00 0.58 H new ATOM 0 HB3 SER A 136 1.819 0.515 -9.062 1.00 0.58 H new ATOM 0 HG SER A 136 0.120 1.717 -10.928 1.00 1.85 H new ATOM 2244 N ARG A 137 2.774 4.237 -10.570 1.00 0.57 N ATOM 2245 CA ARG A 137 2.769 5.436 -11.419 1.00 0.63 C ATOM 2246 C ARG A 137 3.491 5.215 -12.751 1.00 0.54 C ATOM 2247 O ARG A 137 4.431 4.426 -12.855 1.00 0.53 O ATOM 2248 CB ARG A 137 3.213 6.670 -10.602 1.00 0.80 C ATOM 2249 CG ARG A 137 3.488 7.967 -11.384 1.00 2.38 C ATOM 2250 CD ARG A 137 3.367 9.199 -10.466 1.00 3.03 C ATOM 2251 NE ARG A 137 3.339 10.484 -11.199 1.00 4.22 N ATOM 2252 CZ ARG A 137 2.320 10.962 -11.916 1.00 5.79 C ATOM 2253 NH1 ARG A 137 1.307 10.201 -12.294 1.00 6.85 N ATOM 2254 NH2 ARG A 137 2.308 12.232 -12.269 1.00 6.88 N ATOM 0 H ARG A 137 3.598 3.652 -10.709 1.00 0.57 H new ATOM 0 HA ARG A 137 1.749 5.653 -11.736 1.00 0.63 H new ATOM 0 HB2 ARG A 137 2.443 6.879 -9.860 1.00 0.80 H new ATOM 0 HB3 ARG A 137 4.118 6.406 -10.056 1.00 0.80 H new ATOM 0 HG2 ARG A 137 4.487 7.929 -11.819 1.00 2.38 H new ATOM 0 HG3 ARG A 137 2.783 8.054 -12.211 1.00 2.38 H new ATOM 0 HD2 ARG A 137 2.458 9.110 -9.871 1.00 3.03 H new ATOM 0 HD3 ARG A 137 4.205 9.206 -9.769 1.00 3.03 H new ATOM 0 HE ARG A 137 4.179 11.060 -11.152 1.00 4.22 H new ATOM 0 HH11 ARG A 137 1.287 9.214 -12.038 1.00 6.85 H new ATOM 0 HH12 ARG A 137 0.545 10.601 -12.842 1.00 6.85 H new ATOM 0 HH21 ARG A 137 3.076 12.845 -11.994 1.00 6.88 H new ATOM 0 HH22 ARG A 137 1.531 12.602 -12.817 1.00 6.88 H new ATOM 2268 N CYS A 138 3.001 5.909 -13.778 1.00 0.58 N ATOM 2269 CA CYS A 138 3.383 5.800 -15.192 1.00 0.68 C ATOM 2270 C CYS A 138 4.744 6.414 -15.565 1.00 0.84 C ATOM 2271 O CYS A 138 5.253 6.143 -16.651 1.00 1.01 O ATOM 2272 CB CYS A 138 2.234 6.428 -15.996 1.00 0.74 C ATOM 2273 SG CYS A 138 2.009 8.175 -15.533 1.00 2.18 S ATOM 0 H CYS A 138 2.276 6.612 -13.637 1.00 0.58 H new ATOM 0 HA CYS A 138 3.531 4.746 -15.428 1.00 0.68 H new ATOM 0 HB2 CYS A 138 2.446 6.353 -17.063 1.00 0.74 H new ATOM 0 HB3 CYS A 138 1.312 5.876 -15.815 1.00 0.74 H new ATOM 0 HG CYS A 138 1.035 8.686 -16.226 1.00 2.18 H new ATOM 2279 N SER A 139 5.359 7.192 -14.677 1.00 0.91 N ATOM 2280 CA SER A 139 6.755 7.639 -14.823 1.00 1.17 C ATOM 2281 C SER A 139 7.753 6.512 -14.491 1.00 1.11 C ATOM 2282 O SER A 139 7.600 5.814 -13.489 1.00 1.25 O ATOM 2283 CB SER A 139 7.042 8.858 -13.928 1.00 1.37 C ATOM 2284 OG SER A 139 6.342 10.013 -14.369 1.00 2.54 O ATOM 0 H SER A 139 4.907 7.535 -13.830 1.00 0.91 H new ATOM 0 HA SER A 139 6.888 7.922 -15.867 1.00 1.17 H new ATOM 0 HB2 SER A 139 6.757 8.630 -12.901 1.00 1.37 H new ATOM 0 HB3 SER A 139 8.113 9.062 -13.924 1.00 1.37 H new ATOM 0 HG SER A 139 6.547 10.766 -13.776 1.00 2.54 H new ATOM 2290 N ALA A 140 8.822 6.366 -15.287 1.00 1.01 N ATOM 2291 CA ALA A 140 9.912 5.399 -15.064 1.00 0.96 C ATOM 2292 C ALA A 140 10.970 5.871 -14.034 1.00 0.89 C ATOM 2293 O ALA A 140 11.998 5.217 -13.847 1.00 1.00 O ATOM 2294 CB ALA A 140 10.545 5.094 -16.430 1.00 1.09 C ATOM 0 H ALA A 140 8.958 6.930 -16.126 1.00 1.01 H new ATOM 0 HA ALA A 140 9.492 4.497 -14.619 1.00 0.96 H new ATOM 0 HB1 ALA A 140 11.358 4.379 -16.303 1.00 1.09 H new ATOM 0 HB2 ALA A 140 9.791 4.671 -17.094 1.00 1.09 H new ATOM 0 HB3 ALA A 140 10.936 6.015 -16.864 1.00 1.09 H new ATOM 2300 N ARG A 141 10.736 7.026 -13.400 1.00 0.85 N ATOM 2301 CA ARG A 141 11.732 7.854 -12.709 1.00 0.85 C ATOM 2302 C ARG A 141 12.293 7.206 -11.433 1.00 0.81 C ATOM 2303 O ARG A 141 11.558 6.643 -10.622 1.00 0.76 O ATOM 2304 CB ARG A 141 11.117 9.237 -12.403 1.00 0.91 C ATOM 2305 CG ARG A 141 11.326 10.282 -13.517 1.00 1.17 C ATOM 2306 CD ARG A 141 10.846 9.894 -14.927 1.00 1.57 C ATOM 2307 NE ARG A 141 11.405 10.794 -15.953 1.00 2.67 N ATOM 2308 CZ ARG A 141 10.918 11.958 -16.371 1.00 2.89 C ATOM 2309 NH1 ARG A 141 9.813 12.479 -15.875 1.00 3.21 N ATOM 2310 NH2 ARG A 141 11.554 12.622 -17.313 1.00 3.96 N ATOM 0 H ARG A 141 9.800 7.429 -13.353 1.00 0.85 H new ATOM 0 HA ARG A 141 12.586 7.962 -13.378 1.00 0.85 H new ATOM 0 HB2 ARG A 141 10.048 9.116 -12.230 1.00 0.91 H new ATOM 0 HB3 ARG A 141 11.549 9.618 -11.478 1.00 0.91 H new ATOM 0 HG2 ARG A 141 10.815 11.199 -13.224 1.00 1.17 H new ATOM 0 HG3 ARG A 141 12.390 10.514 -13.571 1.00 1.17 H new ATOM 0 HD2 ARG A 141 11.140 8.867 -15.143 1.00 1.57 H new ATOM 0 HD3 ARG A 141 9.757 9.929 -14.965 1.00 1.57 H new ATOM 0 HE ARG A 141 12.271 10.486 -16.396 1.00 2.67 H new ATOM 0 HH11 ARG A 141 9.300 11.986 -15.144 1.00 3.21 H new ATOM 0 HH12 ARG A 141 9.471 13.375 -16.222 1.00 3.21 H new ATOM 0 HH21 ARG A 141 12.411 12.242 -17.714 1.00 3.96 H new ATOM 0 HH22 ARG A 141 11.189 13.516 -17.641 1.00 3.96 H new ATOM 2324 N GLU A 142 13.607 7.340 -11.249 1.00 0.93 N ATOM 2325 CA GLU A 142 14.333 6.934 -10.040 1.00 0.82 C ATOM 2326 C GLU A 142 13.809 7.685 -8.803 1.00 0.66 C ATOM 2327 O GLU A 142 13.544 8.889 -8.873 1.00 0.82 O ATOM 2328 CB GLU A 142 15.839 7.191 -10.247 1.00 0.97 C ATOM 2329 CG GLU A 142 16.718 6.690 -9.093 1.00 1.46 C ATOM 2330 CD GLU A 142 18.203 6.990 -9.360 1.00 2.20 C ATOM 2331 OE1 GLU A 142 18.875 6.187 -10.051 1.00 3.43 O ATOM 2332 OE2 GLU A 142 18.710 8.031 -8.878 1.00 2.83 O ATOM 0 H GLU A 142 14.217 7.747 -11.958 1.00 0.93 H new ATOM 0 HA GLU A 142 14.171 5.871 -9.864 1.00 0.82 H new ATOM 0 HB2 GLU A 142 16.157 6.707 -11.170 1.00 0.97 H new ATOM 0 HB3 GLU A 142 16.001 8.261 -10.376 1.00 0.97 H new ATOM 0 HG2 GLU A 142 16.409 7.166 -8.163 1.00 1.46 H new ATOM 0 HG3 GLU A 142 16.578 5.617 -8.964 1.00 1.46 H new ATOM 2339 N ILE A 143 13.686 6.994 -7.663 1.00 0.66 N ATOM 2340 CA ILE A 143 13.295 7.603 -6.381 1.00 0.68 C ATOM 2341 C ILE A 143 14.492 7.596 -5.402 1.00 0.72 C ATOM 2342 O ILE A 143 14.959 6.504 -5.060 1.00 1.08 O ATOM 2343 CB ILE A 143 12.067 6.900 -5.746 1.00 1.10 C ATOM 2344 CG1 ILE A 143 10.966 6.427 -6.727 1.00 0.98 C ATOM 2345 CG2 ILE A 143 11.453 7.895 -4.752 1.00 2.11 C ATOM 2346 CD1 ILE A 143 11.138 4.948 -7.100 1.00 2.46 C ATOM 0 H ILE A 143 13.856 5.990 -7.601 1.00 0.66 H new ATOM 0 HA ILE A 143 13.002 8.633 -6.584 1.00 0.68 H new ATOM 0 HB ILE A 143 12.435 5.981 -5.290 1.00 1.10 H new ATOM 0 HG12 ILE A 143 9.986 6.577 -6.274 1.00 0.98 H new ATOM 0 HG13 ILE A 143 10.997 7.036 -7.630 1.00 0.98 H new ATOM 0 HG21 ILE A 143 10.582 7.444 -4.277 1.00 2.11 H new ATOM 0 HG22 ILE A 143 12.190 8.150 -3.990 1.00 2.11 H new ATOM 0 HG23 ILE A 143 11.151 8.799 -5.281 1.00 2.11 H new ATOM 0 HD11 ILE A 143 10.347 4.652 -7.790 1.00 2.46 H new ATOM 0 HD12 ILE A 143 12.108 4.803 -7.576 1.00 2.46 H new ATOM 0 HD13 ILE A 143 11.081 4.337 -6.199 1.00 2.46 H new ATOM 2358 N PRO A 144 14.988 8.765 -4.933 1.00 0.76 N ATOM 2359 CA PRO A 144 16.128 8.841 -4.015 1.00 0.99 C ATOM 2360 C PRO A 144 15.753 8.714 -2.526 1.00 0.90 C ATOM 2361 O PRO A 144 16.624 8.408 -1.713 1.00 1.84 O ATOM 2362 CB PRO A 144 16.773 10.201 -4.310 1.00 1.39 C ATOM 2363 CG PRO A 144 15.592 11.075 -4.726 1.00 1.40 C ATOM 2364 CD PRO A 144 14.662 10.096 -5.440 1.00 1.05 C ATOM 0 HA PRO A 144 16.800 7.999 -4.180 1.00 0.99 H new ATOM 0 HB2 PRO A 144 17.280 10.603 -3.433 1.00 1.39 H new ATOM 0 HB3 PRO A 144 17.517 10.128 -5.103 1.00 1.39 H new ATOM 0 HG2 PRO A 144 15.108 11.533 -3.864 1.00 1.40 H new ATOM 0 HG3 PRO A 144 15.904 11.886 -5.384 1.00 1.40 H new ATOM 0 HD2 PRO A 144 13.618 10.340 -5.244 1.00 1.05 H new ATOM 0 HD3 PRO A 144 14.803 10.145 -6.520 1.00 1.05 H new ATOM 2372 N ILE A 145 14.482 8.932 -2.155 1.00 1.12 N ATOM 2373 CA ILE A 145 13.987 8.894 -0.757 1.00 0.94 C ATOM 2374 C ILE A 145 12.464 8.693 -0.660 1.00 0.90 C ATOM 2375 O ILE A 145 12.037 7.914 0.186 1.00 1.63 O ATOM 2376 CB ILE A 145 14.506 10.123 0.050 1.00 0.99 C ATOM 2377 CG1 ILE A 145 14.036 10.163 1.528 1.00 1.06 C ATOM 2378 CG2 ILE A 145 14.296 11.484 -0.643 1.00 1.20 C ATOM 2379 CD1 ILE A 145 12.676 10.818 1.845 1.00 1.34 C ATOM 0 H ILE A 145 13.747 9.145 -2.829 1.00 1.12 H new ATOM 0 HA ILE A 145 14.407 8.005 -0.286 1.00 0.94 H new ATOM 0 HB ILE A 145 15.583 9.955 0.070 1.00 0.99 H new ATOM 0 HG12 ILE A 145 14.005 9.137 1.895 1.00 1.06 H new ATOM 0 HG13 ILE A 145 14.799 10.685 2.106 1.00 1.06 H new ATOM 0 HG21 ILE A 145 14.687 12.279 -0.009 1.00 1.20 H new ATOM 0 HG22 ILE A 145 14.821 11.491 -1.598 1.00 1.20 H new ATOM 0 HG23 ILE A 145 13.231 11.646 -0.812 1.00 1.20 H new ATOM 0 HD11 ILE A 145 12.489 10.768 2.918 1.00 1.34 H new ATOM 0 HD12 ILE A 145 12.692 11.861 1.528 1.00 1.34 H new ATOM 0 HD13 ILE A 145 11.885 10.289 1.314 1.00 1.34 H new ATOM 2391 N LEU A 146 11.710 9.378 -1.540 1.00 0.91 N ATOM 2392 CA LEU A 146 10.244 9.512 -1.787 1.00 1.05 C ATOM 2393 C LEU A 146 9.898 11.004 -1.920 1.00 1.06 C ATOM 2394 O LEU A 146 9.070 11.380 -2.745 1.00 1.38 O ATOM 2395 CB LEU A 146 9.292 8.865 -0.741 1.00 1.26 C ATOM 2396 CG LEU A 146 8.414 7.719 -1.282 1.00 1.10 C ATOM 2397 CD1 LEU A 146 9.215 6.464 -1.598 1.00 1.81 C ATOM 2398 CD2 LEU A 146 7.410 7.289 -0.215 1.00 1.80 C ATOM 0 H LEU A 146 12.201 9.958 -2.221 1.00 0.91 H new ATOM 0 HA LEU A 146 10.068 8.946 -2.702 1.00 1.05 H new ATOM 0 HB2 LEU A 146 9.891 8.485 0.087 1.00 1.26 H new ATOM 0 HB3 LEU A 146 8.642 9.640 -0.335 1.00 1.26 H new ATOM 0 HG LEU A 146 7.944 8.108 -2.185 1.00 1.10 H new ATOM 0 HD11 LEU A 146 8.546 5.691 -1.975 1.00 1.81 H new ATOM 0 HD12 LEU A 146 9.967 6.693 -2.353 1.00 1.81 H new ATOM 0 HD13 LEU A 146 9.707 6.108 -0.692 1.00 1.81 H new ATOM 0 HD21 LEU A 146 6.792 6.479 -0.602 1.00 1.80 H new ATOM 0 HD22 LEU A 146 7.945 6.946 0.671 1.00 1.80 H new ATOM 0 HD23 LEU A 146 6.775 8.135 0.049 1.00 1.80 H new ATOM 2410 N SER A 147 10.557 11.803 -1.080 1.00 0.88 N ATOM 2411 CA SER A 147 10.310 13.190 -0.638 1.00 1.04 C ATOM 2412 C SER A 147 9.835 13.102 0.816 1.00 0.95 C ATOM 2413 O SER A 147 8.968 12.284 1.125 1.00 0.85 O ATOM 2414 CB SER A 147 9.294 13.992 -1.467 1.00 1.35 C ATOM 2415 OG SER A 147 9.747 14.190 -2.798 1.00 1.54 O ATOM 0 H SER A 147 11.398 11.446 -0.626 1.00 0.88 H new ATOM 0 HA SER A 147 11.242 13.741 -0.766 1.00 1.04 H new ATOM 0 HB2 SER A 147 8.339 13.466 -1.481 1.00 1.35 H new ATOM 0 HB3 SER A 147 9.119 14.958 -0.994 1.00 1.35 H new ATOM 0 HG SER A 147 9.700 13.343 -3.289 1.00 1.54 H new ATOM 2421 N ASP A 148 10.378 13.911 1.730 1.00 1.06 N ATOM 2422 CA ASP A 148 10.091 13.791 3.169 1.00 1.08 C ATOM 2423 C ASP A 148 8.591 13.960 3.490 1.00 1.03 C ATOM 2424 O ASP A 148 8.070 13.316 4.398 1.00 1.02 O ATOM 2425 CB ASP A 148 10.965 14.788 3.952 1.00 1.28 C ATOM 2426 CG ASP A 148 10.502 16.245 3.797 1.00 2.12 C ATOM 2427 OD1 ASP A 148 10.755 16.840 2.723 1.00 2.85 O ATOM 2428 OD2 ASP A 148 9.891 16.787 4.748 1.00 3.29 O ATOM 0 H ASP A 148 11.026 14.664 1.499 1.00 1.06 H new ATOM 0 HA ASP A 148 10.344 12.779 3.484 1.00 1.08 H new ATOM 0 HB2 ASP A 148 10.954 14.520 5.008 1.00 1.28 H new ATOM 0 HB3 ASP A 148 11.997 14.703 3.612 1.00 1.28 H new ATOM 2433 N GLU A 149 7.885 14.760 2.684 1.00 1.02 N ATOM 2434 CA GLU A 149 6.442 14.985 2.787 1.00 0.99 C ATOM 2435 C GLU A 149 5.619 13.830 2.202 1.00 0.77 C ATOM 2436 O GLU A 149 4.498 13.601 2.656 1.00 0.79 O ATOM 2437 CB GLU A 149 6.062 16.355 2.187 1.00 1.21 C ATOM 2438 CG GLU A 149 5.952 16.430 0.651 1.00 1.47 C ATOM 2439 CD GLU A 149 4.519 16.168 0.157 1.00 2.02 C ATOM 2440 OE1 GLU A 149 3.625 17.011 0.400 1.00 2.41 O ATOM 2441 OE2 GLU A 149 4.254 15.107 -0.452 1.00 3.14 O ATOM 0 H GLU A 149 8.315 15.283 1.921 1.00 1.02 H new ATOM 0 HA GLU A 149 6.186 15.009 3.846 1.00 0.99 H new ATOM 0 HB2 GLU A 149 5.106 16.660 2.612 1.00 1.21 H new ATOM 0 HB3 GLU A 149 6.802 17.086 2.512 1.00 1.21 H new ATOM 0 HG2 GLU A 149 6.277 17.414 0.313 1.00 1.47 H new ATOM 0 HG3 GLU A 149 6.627 15.701 0.204 1.00 1.47 H new ATOM 2448 N LEU A 150 6.137 13.106 1.200 1.00 0.73 N ATOM 2449 CA LEU A 150 5.476 11.922 0.645 1.00 0.58 C ATOM 2450 C LEU A 150 5.722 10.714 1.553 1.00 0.50 C ATOM 2451 O LEU A 150 4.779 9.999 1.877 1.00 0.51 O ATOM 2452 CB LEU A 150 5.952 11.669 -0.807 1.00 0.65 C ATOM 2453 CG LEU A 150 4.920 11.024 -1.768 1.00 1.02 C ATOM 2454 CD1 LEU A 150 5.651 10.418 -2.974 1.00 2.02 C ATOM 2455 CD2 LEU A 150 4.040 9.918 -1.174 1.00 2.08 C ATOM 0 H LEU A 150 7.027 13.327 0.753 1.00 0.73 H new ATOM 0 HA LEU A 150 4.400 12.091 0.605 1.00 0.58 H new ATOM 0 HB2 LEU A 150 6.268 12.621 -1.234 1.00 0.65 H new ATOM 0 HB3 LEU A 150 6.833 11.028 -0.771 1.00 0.65 H new ATOM 0 HG LEU A 150 4.253 11.846 -2.028 1.00 1.02 H new ATOM 0 HD11 LEU A 150 4.925 9.965 -3.649 1.00 2.02 H new ATOM 0 HD12 LEU A 150 6.196 11.201 -3.500 1.00 2.02 H new ATOM 0 HD13 LEU A 150 6.351 9.657 -2.630 1.00 2.02 H new ATOM 0 HD21 LEU A 150 3.359 9.544 -1.939 1.00 2.08 H new ATOM 0 HD22 LEU A 150 4.670 9.103 -0.819 1.00 2.08 H new ATOM 0 HD23 LEU A 150 3.464 10.320 -0.341 1.00 2.08 H new ATOM 2467 N GLN A 151 6.966 10.491 1.994 1.00 0.51 N ATOM 2468 CA GLN A 151 7.342 9.310 2.784 1.00 0.58 C ATOM 2469 C GLN A 151 6.596 9.277 4.123 1.00 0.68 C ATOM 2470 O GLN A 151 6.151 8.213 4.556 1.00 0.74 O ATOM 2471 CB GLN A 151 8.881 9.196 2.921 1.00 0.73 C ATOM 2472 CG GLN A 151 9.565 9.863 4.132 1.00 0.73 C ATOM 2473 CD GLN A 151 9.785 8.949 5.353 1.00 1.24 C ATOM 2474 OE1 GLN A 151 8.835 8.144 5.788 1.00 2.28 O flip ATOM 2475 NE2 GLN A 151 10.856 8.935 5.947 1.00 2.62 N flip ATOM 0 H GLN A 151 7.743 11.126 1.813 1.00 0.51 H new ATOM 0 HA GLN A 151 7.025 8.415 2.248 1.00 0.58 H new ATOM 0 HB2 GLN A 151 9.134 8.136 2.940 1.00 0.73 H new ATOM 0 HB3 GLN A 151 9.326 9.614 2.018 1.00 0.73 H new ATOM 0 HG2 GLN A 151 10.531 10.253 3.813 1.00 0.73 H new ATOM 0 HG3 GLN A 151 8.963 10.717 4.443 1.00 0.73 H new ATOM 0 HE21 GLN A 151 11.616 9.543 5.642 1.00 2.62 H new ATOM 0 HE22 GLN A 151 10.988 8.316 6.747 1.00 2.62 H new ATOM 2484 N LEU A 152 6.493 10.427 4.800 1.00 0.76 N ATOM 2485 CA LEU A 152 5.810 10.552 6.088 1.00 0.90 C ATOM 2486 C LEU A 152 4.296 10.487 5.907 1.00 0.77 C ATOM 2487 O LEU A 152 3.629 9.767 6.645 1.00 0.82 O ATOM 2488 CB LEU A 152 6.262 11.840 6.803 1.00 1.12 C ATOM 2489 CG LEU A 152 7.734 11.826 7.279 1.00 1.30 C ATOM 2490 CD1 LEU A 152 8.102 13.210 7.830 1.00 1.53 C ATOM 2491 CD2 LEU A 152 7.989 10.771 8.369 1.00 1.50 C ATOM 0 H LEU A 152 6.887 11.305 4.463 1.00 0.76 H new ATOM 0 HA LEU A 152 6.086 9.711 6.724 1.00 0.90 H new ATOM 0 HB2 LEU A 152 6.119 12.684 6.128 1.00 1.12 H new ATOM 0 HB3 LEU A 152 5.616 12.008 7.665 1.00 1.12 H new ATOM 0 HG LEU A 152 8.352 11.571 6.418 1.00 1.30 H new ATOM 0 HD11 LEU A 152 9.139 13.204 8.166 1.00 1.53 H new ATOM 0 HD12 LEU A 152 7.979 13.958 7.047 1.00 1.53 H new ATOM 0 HD13 LEU A 152 7.450 13.453 8.669 1.00 1.53 H new ATOM 0 HD21 LEU A 152 9.037 10.803 8.668 1.00 1.50 H new ATOM 0 HD22 LEU A 152 7.359 10.981 9.233 1.00 1.50 H new ATOM 0 HD23 LEU A 152 7.753 9.781 7.979 1.00 1.50 H new ATOM 2503 N LYS A 153 3.746 11.171 4.896 1.00 0.66 N ATOM 2504 CA LYS A 153 2.313 11.099 4.588 1.00 0.61 C ATOM 2505 C LYS A 153 1.877 9.677 4.211 1.00 0.49 C ATOM 2506 O LYS A 153 0.841 9.226 4.686 1.00 0.49 O ATOM 2507 CB LYS A 153 1.974 12.143 3.515 1.00 0.79 C ATOM 2508 CG LYS A 153 0.474 12.220 3.192 1.00 1.24 C ATOM 2509 CD LYS A 153 0.082 13.460 2.369 1.00 1.63 C ATOM 2510 CE LYS A 153 0.857 13.627 1.049 1.00 2.19 C ATOM 2511 NZ LYS A 153 2.121 14.391 1.228 1.00 2.75 N ATOM 0 H LYS A 153 4.275 11.783 4.275 1.00 0.66 H new ATOM 0 HA LYS A 153 1.739 11.340 5.483 1.00 0.61 H new ATOM 0 HB2 LYS A 153 2.317 13.122 3.850 1.00 0.79 H new ATOM 0 HB3 LYS A 153 2.523 11.908 2.603 1.00 0.79 H new ATOM 0 HG2 LYS A 153 0.183 11.324 2.644 1.00 1.24 H new ATOM 0 HG3 LYS A 153 -0.090 12.221 4.125 1.00 1.24 H new ATOM 0 HD2 LYS A 153 -0.984 13.409 2.145 1.00 1.63 H new ATOM 0 HD3 LYS A 153 0.237 14.349 2.980 1.00 1.63 H new ATOM 0 HE2 LYS A 153 1.085 12.644 0.637 1.00 2.19 H new ATOM 0 HE3 LYS A 153 0.226 14.138 0.322 1.00 2.19 H new ATOM 0 HZ1 LYS A 153 2.564 14.551 0.301 1.00 2.75 H new ATOM 0 HZ2 LYS A 153 1.913 15.307 1.675 1.00 2.75 H new ATOM 0 HZ3 LYS A 153 2.771 13.850 1.834 1.00 2.75 H new ATOM 2525 N MET A 154 2.693 8.929 3.464 1.00 0.51 N ATOM 2526 CA MET A 154 2.488 7.497 3.199 1.00 0.60 C ATOM 2527 C MET A 154 2.487 6.671 4.491 1.00 0.67 C ATOM 2528 O MET A 154 1.575 5.868 4.706 1.00 0.76 O ATOM 2529 CB MET A 154 3.577 7.007 2.229 1.00 0.66 C ATOM 2530 CG MET A 154 3.195 7.252 0.771 1.00 1.67 C ATOM 2531 SD MET A 154 2.038 6.037 0.087 1.00 2.68 S ATOM 2532 CE MET A 154 3.163 4.640 -0.172 1.00 1.32 C ATOM 0 H MET A 154 3.530 9.305 3.018 1.00 0.51 H new ATOM 0 HA MET A 154 1.507 7.362 2.744 1.00 0.60 H new ATOM 0 HB2 MET A 154 4.515 7.517 2.449 1.00 0.66 H new ATOM 0 HB3 MET A 154 3.749 5.942 2.385 1.00 0.66 H new ATOM 0 HG2 MET A 154 2.753 8.245 0.686 1.00 1.67 H new ATOM 0 HG3 MET A 154 4.102 7.253 0.166 1.00 1.67 H new ATOM 0 HE1 MET A 154 2.682 3.899 -0.810 1.00 1.32 H new ATOM 0 HE2 MET A 154 4.077 4.993 -0.650 1.00 1.32 H new ATOM 0 HE3 MET A 154 3.408 4.187 0.789 1.00 1.32 H new ATOM 2542 N GLN A 155 3.490 6.849 5.358 1.00 0.73 N ATOM 2543 CA GLN A 155 3.585 6.100 6.619 1.00 0.92 C ATOM 2544 C GLN A 155 2.433 6.418 7.595 1.00 0.81 C ATOM 2545 O GLN A 155 1.949 5.530 8.297 1.00 0.87 O ATOM 2546 CB GLN A 155 4.982 6.267 7.237 1.00 1.22 C ATOM 2547 CG GLN A 155 5.277 5.135 8.243 1.00 1.68 C ATOM 2548 CD GLN A 155 6.757 4.752 8.277 1.00 2.93 C ATOM 2549 OE1 GLN A 155 7.596 5.457 8.824 1.00 3.14 O ATOM 2550 NE2 GLN A 155 7.136 3.640 7.672 1.00 4.45 N ATOM 0 H GLN A 155 4.253 7.510 5.209 1.00 0.73 H new ATOM 0 HA GLN A 155 3.459 5.041 6.392 1.00 0.92 H new ATOM 0 HB2 GLN A 155 5.735 6.265 6.449 1.00 1.22 H new ATOM 0 HB3 GLN A 155 5.049 7.232 7.739 1.00 1.22 H new ATOM 0 HG2 GLN A 155 4.963 5.448 9.239 1.00 1.68 H new ATOM 0 HG3 GLN A 155 4.684 4.258 7.982 1.00 1.68 H new ATOM 0 HE21 GLN A 155 6.444 3.047 7.214 1.00 4.45 H new ATOM 0 HE22 GLN A 155 8.121 3.374 7.663 1.00 4.45 H new ATOM 2559 N LEU A 156 1.935 7.660 7.585 1.00 0.72 N ATOM 2560 CA LEU A 156 0.707 8.075 8.269 1.00 0.70 C ATOM 2561 C LEU A 156 -0.512 7.382 7.642 1.00 0.55 C ATOM 2562 O LEU A 156 -1.269 6.716 8.349 1.00 0.56 O ATOM 2563 CB LEU A 156 0.651 9.622 8.238 1.00 0.81 C ATOM 2564 CG LEU A 156 -0.570 10.345 8.851 1.00 1.05 C ATOM 2565 CD1 LEU A 156 -1.782 10.397 7.910 1.00 1.15 C ATOM 2566 CD2 LEU A 156 -0.993 9.758 10.199 1.00 2.19 C ATOM 0 H LEU A 156 2.389 8.425 7.086 1.00 0.72 H new ATOM 0 HA LEU A 156 0.698 7.766 9.314 1.00 0.70 H new ATOM 0 HB2 LEU A 156 1.541 9.993 8.746 1.00 0.81 H new ATOM 0 HB3 LEU A 156 0.727 9.932 7.196 1.00 0.81 H new ATOM 0 HG LEU A 156 -0.225 11.366 9.011 1.00 1.05 H new ATOM 0 HD11 LEU A 156 -2.603 10.918 8.403 1.00 1.15 H new ATOM 0 HD12 LEU A 156 -1.511 10.928 6.997 1.00 1.15 H new ATOM 0 HD13 LEU A 156 -2.093 9.382 7.661 1.00 1.15 H new ATOM 0 HD21 LEU A 156 -1.855 10.306 10.580 1.00 2.19 H new ATOM 0 HD22 LEU A 156 -1.258 8.708 10.072 1.00 2.19 H new ATOM 0 HD23 LEU A 156 -0.168 9.841 10.907 1.00 2.19 H new ATOM 2578 N LEU A 157 -0.678 7.474 6.318 1.00 0.50 N ATOM 2579 CA LEU A 157 -1.792 6.860 5.590 1.00 0.54 C ATOM 2580 C LEU A 157 -1.868 5.360 5.861 1.00 0.60 C ATOM 2581 O LEU A 157 -2.945 4.888 6.205 1.00 0.63 O ATOM 2582 CB LEU A 157 -1.700 7.159 4.075 1.00 0.61 C ATOM 2583 CG LEU A 157 -2.663 8.256 3.576 1.00 0.83 C ATOM 2584 CD1 LEU A 157 -2.469 9.626 4.235 1.00 1.86 C ATOM 2585 CD2 LEU A 157 -2.536 8.404 2.053 1.00 1.48 C ATOM 0 H LEU A 157 -0.033 7.984 5.715 1.00 0.50 H new ATOM 0 HA LEU A 157 -2.717 7.305 5.957 1.00 0.54 H new ATOM 0 HB2 LEU A 157 -0.678 7.456 3.838 1.00 0.61 H new ATOM 0 HB3 LEU A 157 -1.901 6.240 3.524 1.00 0.61 H new ATOM 0 HG LEU A 157 -3.661 7.922 3.861 1.00 0.83 H new ATOM 0 HD11 LEU A 157 -3.189 10.333 3.823 1.00 1.86 H new ATOM 0 HD12 LEU A 157 -2.623 9.537 5.310 1.00 1.86 H new ATOM 0 HD13 LEU A 157 -1.458 9.983 4.041 1.00 1.86 H new ATOM 0 HD21 LEU A 157 -3.218 9.180 1.705 1.00 1.48 H new ATOM 0 HD22 LEU A 157 -1.513 8.679 1.798 1.00 1.48 H new ATOM 0 HD23 LEU A 157 -2.787 7.458 1.573 1.00 1.48 H new ATOM 2597 N VAL A 158 -0.760 4.620 5.777 1.00 0.67 N ATOM 2598 CA VAL A 158 -0.771 3.175 6.072 1.00 0.79 C ATOM 2599 C VAL A 158 -1.151 2.870 7.520 1.00 0.76 C ATOM 2600 O VAL A 158 -1.946 1.958 7.719 1.00 0.81 O ATOM 2601 CB VAL A 158 0.494 2.416 5.618 1.00 0.97 C ATOM 2602 CG1 VAL A 158 1.700 2.678 6.523 1.00 1.00 C ATOM 2603 CG2 VAL A 158 0.234 0.903 5.529 1.00 1.09 C ATOM 0 H VAL A 158 0.153 4.989 5.510 1.00 0.67 H new ATOM 0 HA VAL A 158 -1.569 2.777 5.446 1.00 0.79 H new ATOM 0 HB VAL A 158 0.734 2.800 4.627 1.00 0.97 H new ATOM 0 HG11 VAL A 158 2.560 2.118 6.155 1.00 1.00 H new ATOM 0 HG12 VAL A 158 1.932 3.743 6.520 1.00 1.00 H new ATOM 0 HG13 VAL A 158 1.468 2.360 7.539 1.00 1.00 H new ATOM 0 HG21 VAL A 158 1.143 0.396 5.207 1.00 1.09 H new ATOM 0 HG22 VAL A 158 -0.064 0.527 6.508 1.00 1.09 H new ATOM 0 HG23 VAL A 158 -0.562 0.712 4.809 1.00 1.09 H new ATOM 2613 N ARG A 159 -0.650 3.618 8.521 1.00 0.73 N ATOM 2614 CA ARG A 159 -1.043 3.378 9.921 1.00 0.80 C ATOM 2615 C ARG A 159 -2.556 3.508 10.059 1.00 0.77 C ATOM 2616 O ARG A 159 -3.219 2.590 10.544 1.00 0.88 O ATOM 2617 CB ARG A 159 -0.373 4.401 10.869 1.00 0.83 C ATOM 2618 CG ARG A 159 -0.900 4.345 12.329 1.00 1.28 C ATOM 2619 CD ARG A 159 -0.784 5.698 13.030 1.00 0.99 C ATOM 2620 NE ARG A 159 0.586 6.096 13.371 1.00 1.71 N ATOM 2621 CZ ARG A 159 0.929 7.345 13.666 1.00 2.95 C ATOM 2622 NH1 ARG A 159 0.048 8.327 13.631 1.00 3.89 N ATOM 2623 NH2 ARG A 159 2.168 7.625 14.005 1.00 3.93 N ATOM 0 H ARG A 159 0.015 4.380 8.390 1.00 0.73 H new ATOM 0 HA ARG A 159 -0.720 2.373 10.194 1.00 0.80 H new ATOM 0 HB2 ARG A 159 0.703 4.226 10.874 1.00 0.83 H new ATOM 0 HB3 ARG A 159 -0.531 5.405 10.474 1.00 0.83 H new ATOM 0 HG2 ARG A 159 -1.942 4.026 12.327 1.00 1.28 H new ATOM 0 HG3 ARG A 159 -0.339 3.597 12.889 1.00 1.28 H new ATOM 0 HD2 ARG A 159 -1.221 6.463 12.388 1.00 0.99 H new ATOM 0 HD3 ARG A 159 -1.378 5.671 13.944 1.00 0.99 H new ATOM 0 HE ARG A 159 1.311 5.379 13.382 1.00 1.71 H new ATOM 0 HH11 ARG A 159 -0.920 8.135 13.373 1.00 3.89 H new ATOM 0 HH12 ARG A 159 0.335 9.278 13.862 1.00 3.89 H new ATOM 0 HH21 ARG A 159 2.867 6.883 14.042 1.00 3.93 H new ATOM 0 HH22 ARG A 159 2.430 8.584 14.231 1.00 3.93 H new ATOM 2637 N GLU A 160 -3.091 4.651 9.640 1.00 0.66 N ATOM 2638 CA GLU A 160 -4.463 4.998 9.994 1.00 0.69 C ATOM 2639 C GLU A 160 -5.451 4.307 9.040 1.00 0.64 C ATOM 2640 O GLU A 160 -6.551 3.973 9.459 1.00 0.71 O ATOM 2641 CB GLU A 160 -4.665 6.520 10.036 1.00 0.90 C ATOM 2642 CG GLU A 160 -3.610 7.386 10.755 1.00 1.36 C ATOM 2643 CD GLU A 160 -3.492 7.273 12.282 1.00 2.49 C ATOM 2644 OE1 GLU A 160 -3.935 6.259 12.860 1.00 3.93 O ATOM 2645 OE2 GLU A 160 -2.833 8.157 12.890 1.00 2.94 O ATOM 0 H GLU A 160 -2.606 5.341 9.066 1.00 0.66 H new ATOM 0 HA GLU A 160 -4.663 4.632 11.001 1.00 0.69 H new ATOM 0 HB2 GLU A 160 -4.737 6.873 9.007 1.00 0.90 H new ATOM 0 HB3 GLU A 160 -5.629 6.713 10.507 1.00 0.90 H new ATOM 0 HG2 GLU A 160 -2.636 7.146 10.328 1.00 1.36 H new ATOM 0 HG3 GLU A 160 -3.816 8.429 10.514 1.00 1.36 H new ATOM 2652 N SER A 161 -5.059 3.991 7.799 1.00 0.62 N ATOM 2653 CA SER A 161 -5.818 3.084 6.926 1.00 0.66 C ATOM 2654 C SER A 161 -5.889 1.673 7.514 1.00 0.70 C ATOM 2655 O SER A 161 -6.990 1.169 7.711 1.00 0.74 O ATOM 2656 CB SER A 161 -5.179 3.003 5.533 1.00 0.68 C ATOM 2657 OG SER A 161 -5.831 2.020 4.745 1.00 1.17 O ATOM 0 H SER A 161 -4.208 4.356 7.372 1.00 0.62 H new ATOM 0 HA SER A 161 -6.826 3.491 6.846 1.00 0.66 H new ATOM 0 HB2 SER A 161 -5.242 3.973 5.040 1.00 0.68 H new ATOM 0 HB3 SER A 161 -4.120 2.760 5.625 1.00 0.68 H new ATOM 0 HG SER A 161 -5.245 1.751 4.007 1.00 1.17 H new ATOM 2663 N LEU A 162 -4.750 1.059 7.879 1.00 0.76 N ATOM 2664 CA LEU A 162 -4.702 -0.296 8.447 1.00 0.87 C ATOM 2665 C LEU A 162 -5.593 -0.346 9.690 1.00 0.86 C ATOM 2666 O LEU A 162 -6.471 -1.202 9.790 1.00 0.94 O ATOM 2667 CB LEU A 162 -3.222 -0.631 8.734 1.00 0.97 C ATOM 2668 CG LEU A 162 -2.847 -2.071 9.137 1.00 1.37 C ATOM 2669 CD1 LEU A 162 -1.321 -2.111 9.321 1.00 1.48 C ATOM 2670 CD2 LEU A 162 -3.515 -2.587 10.417 1.00 2.90 C ATOM 0 H LEU A 162 -3.832 1.494 7.787 1.00 0.76 H new ATOM 0 HA LEU A 162 -5.087 -1.050 7.761 1.00 0.87 H new ATOM 0 HB2 LEU A 162 -2.648 -0.379 7.842 1.00 0.97 H new ATOM 0 HB3 LEU A 162 -2.883 0.032 9.529 1.00 0.97 H new ATOM 0 HG LEU A 162 -3.206 -2.726 8.343 1.00 1.37 H new ATOM 0 HD11 LEU A 162 -1.015 -3.117 9.608 1.00 1.48 H new ATOM 0 HD12 LEU A 162 -0.834 -1.837 8.385 1.00 1.48 H new ATOM 0 HD13 LEU A 162 -1.030 -1.407 10.101 1.00 1.48 H new ATOM 0 HD21 LEU A 162 -3.186 -3.608 10.613 1.00 2.90 H new ATOM 0 HD22 LEU A 162 -3.237 -1.949 11.255 1.00 2.90 H new ATOM 0 HD23 LEU A 162 -4.598 -2.572 10.294 1.00 2.90 H new ATOM 2682 N MET A 163 -5.434 0.631 10.585 1.00 0.81 N ATOM 2683 CA MET A 163 -6.251 0.795 11.783 1.00 0.83 C ATOM 2684 C MET A 163 -7.734 0.956 11.472 1.00 0.83 C ATOM 2685 O MET A 163 -8.546 0.221 12.029 1.00 0.91 O ATOM 2686 CB MET A 163 -5.703 1.989 12.578 1.00 0.93 C ATOM 2687 CG MET A 163 -6.604 2.414 13.744 1.00 1.60 C ATOM 2688 SD MET A 163 -7.961 3.574 13.422 1.00 3.17 S ATOM 2689 CE MET A 163 -6.977 4.997 12.894 1.00 1.77 C ATOM 0 H MET A 163 -4.714 1.347 10.492 1.00 0.81 H new ATOM 0 HA MET A 163 -6.184 -0.114 12.381 1.00 0.83 H new ATOM 0 HB2 MET A 163 -4.716 1.735 12.966 1.00 0.93 H new ATOM 0 HB3 MET A 163 -5.572 2.835 11.903 1.00 0.93 H new ATOM 0 HG2 MET A 163 -7.037 1.510 14.173 1.00 1.60 H new ATOM 0 HG3 MET A 163 -5.966 2.856 14.510 1.00 1.60 H new ATOM 0 HE1 MET A 163 -7.559 5.910 13.023 1.00 1.77 H new ATOM 0 HE2 MET A 163 -6.071 5.056 13.497 1.00 1.77 H new ATOM 0 HE3 MET A 163 -6.708 4.884 11.844 1.00 1.77 H new ATOM 2699 N ALA A 164 -8.107 1.884 10.593 1.00 0.74 N ATOM 2700 CA ALA A 164 -9.504 2.219 10.356 1.00 0.70 C ATOM 2701 C ALA A 164 -10.224 1.058 9.658 1.00 0.76 C ATOM 2702 O ALA A 164 -11.349 0.713 10.021 1.00 0.80 O ATOM 2703 CB ALA A 164 -9.596 3.510 9.538 1.00 0.66 C ATOM 0 H ALA A 164 -7.449 2.422 10.028 1.00 0.74 H new ATOM 0 HA ALA A 164 -10.001 2.385 11.312 1.00 0.70 H new ATOM 0 HB1 ALA A 164 -10.643 3.756 9.363 1.00 0.66 H new ATOM 0 HB2 ALA A 164 -9.119 4.323 10.086 1.00 0.66 H new ATOM 0 HB3 ALA A 164 -9.092 3.372 8.582 1.00 0.66 H new ATOM 2709 N LEU A 165 -9.552 0.443 8.678 1.00 0.80 N ATOM 2710 CA LEU A 165 -10.019 -0.736 7.940 1.00 0.87 C ATOM 2711 C LEU A 165 -10.244 -1.876 8.936 1.00 1.00 C ATOM 2712 O LEU A 165 -11.313 -2.481 8.951 1.00 1.08 O ATOM 2713 CB LEU A 165 -8.958 -1.089 6.865 1.00 0.75 C ATOM 2714 CG LEU A 165 -9.343 -1.973 5.659 1.00 0.79 C ATOM 2715 CD1 LEU A 165 -10.236 -3.175 5.992 1.00 1.53 C ATOM 2716 CD2 LEU A 165 -9.971 -1.129 4.540 1.00 1.88 C ATOM 0 H LEU A 165 -8.636 0.764 8.366 1.00 0.80 H new ATOM 0 HA LEU A 165 -10.964 -0.549 7.431 1.00 0.87 H new ATOM 0 HB2 LEU A 165 -8.574 -0.149 6.468 1.00 0.75 H new ATOM 0 HB3 LEU A 165 -8.130 -1.581 7.376 1.00 0.75 H new ATOM 0 HG LEU A 165 -8.402 -2.403 5.317 1.00 0.79 H new ATOM 0 HD11 LEU A 165 -10.451 -3.733 5.080 1.00 1.53 H new ATOM 0 HD12 LEU A 165 -9.723 -3.824 6.702 1.00 1.53 H new ATOM 0 HD13 LEU A 165 -11.170 -2.824 6.431 1.00 1.53 H new ATOM 0 HD21 LEU A 165 -10.234 -1.774 3.702 1.00 1.88 H new ATOM 0 HD22 LEU A 165 -10.869 -0.638 4.915 1.00 1.88 H new ATOM 0 HD23 LEU A 165 -9.257 -0.375 4.208 1.00 1.88 H new ATOM 2728 N MET A 166 -9.283 -2.112 9.835 1.00 1.02 N ATOM 2729 CA MET A 166 -9.405 -3.117 10.895 1.00 1.14 C ATOM 2730 C MET A 166 -10.538 -2.831 11.883 1.00 1.05 C ATOM 2731 O MET A 166 -11.264 -3.758 12.234 1.00 1.07 O ATOM 2732 CB MET A 166 -8.064 -3.328 11.604 1.00 1.23 C ATOM 2733 CG MET A 166 -7.146 -4.237 10.773 1.00 2.19 C ATOM 2734 SD MET A 166 -7.815 -5.872 10.339 1.00 3.13 S ATOM 2735 CE MET A 166 -8.340 -6.492 11.960 1.00 1.74 C ATOM 0 H MET A 166 -8.396 -1.609 9.848 1.00 1.02 H new ATOM 0 HA MET A 166 -9.683 -4.050 10.405 1.00 1.14 H new ATOM 0 HB2 MET A 166 -7.579 -2.366 11.768 1.00 1.23 H new ATOM 0 HB3 MET A 166 -8.232 -3.772 12.585 1.00 1.23 H new ATOM 0 HG2 MET A 166 -6.891 -3.715 9.851 1.00 2.19 H new ATOM 0 HG3 MET A 166 -6.217 -4.382 11.324 1.00 2.19 H new ATOM 0 HE1 MET A 166 -8.721 -7.508 11.855 1.00 1.74 H new ATOM 0 HE2 MET A 166 -7.490 -6.492 12.642 1.00 1.74 H new ATOM 0 HE3 MET A 166 -9.125 -5.849 12.358 1.00 1.74 H new ATOM 2745 N ARG A 167 -10.728 -1.577 12.304 1.00 0.98 N ATOM 2746 CA ARG A 167 -11.843 -1.162 13.175 1.00 0.96 C ATOM 2747 C ARG A 167 -13.220 -1.414 12.528 1.00 0.98 C ATOM 2748 O ARG A 167 -14.210 -1.596 13.241 1.00 1.00 O ATOM 2749 CB ARG A 167 -11.688 0.330 13.530 1.00 0.98 C ATOM 2750 CG ARG A 167 -10.601 0.612 14.580 1.00 1.24 C ATOM 2751 CD ARG A 167 -11.056 0.276 16.006 1.00 1.67 C ATOM 2752 NE ARG A 167 -10.013 0.642 16.984 1.00 2.64 N ATOM 2753 CZ ARG A 167 -10.202 1.054 18.236 1.00 3.71 C ATOM 2754 NH1 ARG A 167 -11.401 1.154 18.773 1.00 4.26 N ATOM 2755 NH2 ARG A 167 -9.161 1.367 18.977 1.00 4.88 N ATOM 0 H ARG A 167 -10.107 -0.809 12.049 1.00 0.98 H new ATOM 0 HA ARG A 167 -11.801 -1.769 14.080 1.00 0.96 H new ATOM 0 HB2 ARG A 167 -11.455 0.887 12.622 1.00 0.98 H new ATOM 0 HB3 ARG A 167 -12.642 0.706 13.899 1.00 0.98 H new ATOM 0 HG2 ARG A 167 -9.710 0.031 14.340 1.00 1.24 H new ATOM 0 HG3 ARG A 167 -10.318 1.664 14.531 1.00 1.24 H new ATOM 0 HD2 ARG A 167 -11.979 0.809 16.234 1.00 1.67 H new ATOM 0 HD3 ARG A 167 -11.276 -0.789 16.082 1.00 1.67 H new ATOM 0 HE ARG A 167 -9.046 0.572 16.668 1.00 2.64 H new ATOM 0 HH11 ARG A 167 -12.227 0.912 18.226 1.00 4.26 H new ATOM 0 HH12 ARG A 167 -11.503 1.474 19.736 1.00 4.26 H new ATOM 0 HH21 ARG A 167 -8.220 1.293 18.591 1.00 4.88 H new ATOM 0 HH22 ARG A 167 -9.295 1.684 19.937 1.00 4.88 H new ATOM 2769 N LEU A 168 -13.285 -1.437 11.192 1.00 1.00 N ATOM 2770 CA LEU A 168 -14.487 -1.712 10.398 1.00 1.06 C ATOM 2771 C LEU A 168 -14.666 -3.207 10.075 1.00 1.16 C ATOM 2772 O LEU A 168 -15.802 -3.675 9.993 1.00 1.31 O ATOM 2773 CB LEU A 168 -14.414 -0.841 9.123 1.00 1.03 C ATOM 2774 CG LEU A 168 -15.570 0.177 9.049 1.00 1.04 C ATOM 2775 CD1 LEU A 168 -15.122 1.432 8.295 1.00 2.01 C ATOM 2776 CD2 LEU A 168 -16.797 -0.469 8.392 1.00 1.64 C ATOM 0 H LEU A 168 -12.467 -1.257 10.610 1.00 1.00 H new ATOM 0 HA LEU A 168 -15.372 -1.453 10.979 1.00 1.06 H new ATOM 0 HB2 LEU A 168 -13.462 -0.310 9.101 1.00 1.03 H new ATOM 0 HB3 LEU A 168 -14.441 -1.484 8.243 1.00 1.03 H new ATOM 0 HG LEU A 168 -15.850 0.479 10.058 1.00 1.04 H new ATOM 0 HD11 LEU A 168 -15.947 2.143 8.249 1.00 2.01 H new ATOM 0 HD12 LEU A 168 -14.279 1.887 8.815 1.00 2.01 H new ATOM 0 HD13 LEU A 168 -14.821 1.161 7.283 1.00 2.01 H new ATOM 0 HD21 LEU A 168 -17.609 0.257 8.344 1.00 1.64 H new ATOM 0 HD22 LEU A 168 -16.541 -0.794 7.384 1.00 1.64 H new ATOM 0 HD23 LEU A 168 -17.114 -1.329 8.981 1.00 1.64 H new ATOM 2788 N ASN A 169 -13.569 -3.953 9.899 1.00 1.17 N ATOM 2789 CA ASN A 169 -13.582 -5.342 9.426 1.00 1.34 C ATOM 2790 C ASN A 169 -13.412 -6.398 10.543 1.00 1.30 C ATOM 2791 O ASN A 169 -14.181 -7.357 10.585 1.00 1.39 O ATOM 2792 CB ASN A 169 -12.444 -5.471 8.397 1.00 1.66 C ATOM 2793 CG ASN A 169 -12.406 -6.844 7.736 1.00 1.56 C ATOM 2794 OD1 ASN A 169 -13.235 -7.169 6.894 1.00 2.32 O ATOM 2795 ND2 ASN A 169 -11.456 -7.690 8.097 1.00 1.60 N ATOM 0 H ASN A 169 -12.630 -3.601 10.085 1.00 1.17 H new ATOM 0 HA ASN A 169 -14.562 -5.548 8.996 1.00 1.34 H new ATOM 0 HB2 ASN A 169 -12.564 -4.706 7.630 1.00 1.66 H new ATOM 0 HB3 ASN A 169 -11.490 -5.282 8.890 1.00 1.66 H new ATOM 0 HD21 ASN A 169 -11.411 -8.617 7.674 1.00 1.60 H new ATOM 0 HD22 ASN A 169 -10.768 -7.415 8.798 1.00 1.60 H new