USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 589 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 118 MET CE :methyl -115:sc= 0 (180deg=-2.44!) USER MOD Set 1.2: A 138 THR OG1 : rot -160:sc= 0 USER MOD Single : A 96 THR OG1 : rot -18:sc= 0.349 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -107:sc= 1.24 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 16:sc= 0.274 USER MOD Single : A 123 ASN :FLIP amide:sc= -0.213 F(o=-2.8,f=-0.21) USER MOD Single : A 125 GLN : amide:sc= -0.0343 X(o=-0.034,f=-0.034) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl 163:sc= -6.36 (180deg=-8.4!) USER MOD Single : A 129 THR OG1 : rot -170:sc= -0.0136 USER MOD Single : A 140 THR OG1 : rot 65:sc= 1.34 USER MOD Single : A 141 HIS : no HE2:sc= -0.482 X(o=-0.48,f=-0.45) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0.058) USER MOD Single : A 147 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.098) USER MOD Single : A 149 CYS SG : rot 180:sc= -0.365 USER MOD Single : A 150 TYR OH : rot 30:sc= -0.154 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0482) USER MOD Single : A 165 HIS :FLIP no HD1:sc= -0.554 F(o=-1.2,f=-0.55) USER MOD Single : A 166 THR OG1 : rot 52:sc= 1.1 USER MOD Single : A 171 ASN : amide:sc=-0.00547 X(o=-0.0055,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 11.034 1.071 -8.877 1.00 60.14 N ATOM 146 CA THR A 96 11.310 1.768 -7.628 1.00 31.45 C ATOM 147 C THR A 96 10.094 2.559 -7.159 1.00 30.43 C ATOM 148 O THR A 96 10.218 3.510 -6.387 1.00 3.42 O ATOM 149 CB THR A 96 12.507 2.726 -7.772 1.00 4.42 C ATOM 150 OG1 THR A 96 12.476 3.359 -9.056 1.00 43.20 O ATOM 151 CG2 THR A 96 13.821 1.980 -7.601 1.00 44.41 C ATOM 0 HA THR A 96 11.551 1.005 -6.888 1.00 31.45 H new ATOM 0 HB THR A 96 12.433 3.484 -6.992 1.00 4.42 H new ATOM 0 HG1 THR A 96 11.893 2.850 -9.658 1.00 43.20 H new ATOM 0 HG21 THR A 96 14.652 2.678 -7.707 1.00 44.41 H new ATOM 0 HG22 THR A 96 13.854 1.524 -6.612 1.00 44.41 H new ATOM 0 HG23 THR A 96 13.900 1.203 -8.362 1.00 44.41 H new ATOM 159 N THR A 97 8.916 2.160 -7.630 1.00 21.45 N ATOM 160 CA THR A 97 7.678 2.831 -7.259 1.00 31.45 C ATOM 161 C THR A 97 6.472 1.930 -7.494 1.00 72.41 C ATOM 162 O THR A 97 6.299 1.379 -8.581 1.00 61.34 O ATOM 163 CB THR A 97 7.489 4.139 -8.051 1.00 42.01 C ATOM 164 OG1 THR A 97 8.026 3.994 -9.370 1.00 21.11 O ATOM 165 CG2 THR A 97 8.170 5.302 -7.345 1.00 33.21 C ATOM 0 H THR A 97 8.795 1.375 -8.270 1.00 21.45 H new ATOM 0 HA THR A 97 7.752 3.065 -6.197 1.00 31.45 H new ATOM 0 HB THR A 97 6.421 4.349 -8.115 1.00 42.01 H new ATOM 0 HG1 THR A 97 7.901 4.829 -9.868 1.00 21.11 H new ATOM 0 HG21 THR A 97 8.023 6.215 -7.923 1.00 33.21 H new ATOM 0 HG22 THR A 97 7.739 5.428 -6.352 1.00 33.21 H new ATOM 0 HG23 THR A 97 9.237 5.098 -7.254 1.00 33.21 H new ATOM 173 N SER A 98 5.639 1.782 -6.469 1.00 0.33 N ATOM 174 CA SER A 98 4.449 0.944 -6.563 1.00 11.11 C ATOM 175 C SER A 98 3.190 1.799 -6.666 1.00 31.23 C ATOM 176 O SER A 98 3.140 2.919 -6.157 1.00 5.14 O ATOM 177 CB SER A 98 4.354 0.019 -5.348 1.00 54.25 C ATOM 178 OG SER A 98 3.845 -1.252 -5.715 1.00 25.30 O ATOM 0 H SER A 98 5.766 2.232 -5.563 1.00 0.33 H new ATOM 0 HA SER A 98 4.531 0.339 -7.466 1.00 11.11 H new ATOM 0 HB2 SER A 98 5.339 -0.097 -4.897 1.00 54.25 H new ATOM 0 HB3 SER A 98 3.709 0.469 -4.594 1.00 54.25 H new ATOM 0 HG SER A 98 2.924 -1.341 -5.392 1.00 25.30 H new ATOM 184 N THR A 99 2.170 1.261 -7.329 1.00 41.44 N ATOM 185 CA THR A 99 0.910 1.972 -7.501 1.00 45.51 C ATOM 186 C THR A 99 -0.276 1.019 -7.422 1.00 62.52 C ATOM 187 O THR A 99 -0.150 -0.169 -7.725 1.00 42.10 O ATOM 188 CB THR A 99 0.865 2.718 -8.848 1.00 53.33 C ATOM 189 OG1 THR A 99 2.079 3.453 -9.042 1.00 40.21 O ATOM 190 CG2 THR A 99 -0.323 3.668 -8.902 1.00 60.01 C ATOM 0 H THR A 99 2.193 0.335 -7.755 1.00 41.44 H new ATOM 0 HA THR A 99 0.844 2.697 -6.690 1.00 45.51 H new ATOM 0 HB THR A 99 0.756 1.980 -9.643 1.00 53.33 H new ATOM 0 HG1 THR A 99 2.043 3.923 -9.901 1.00 40.21 H new ATOM 0 HG21 THR A 99 -0.333 4.183 -9.862 1.00 60.01 H new ATOM 0 HG22 THR A 99 -1.247 3.102 -8.784 1.00 60.01 H new ATOM 0 HG23 THR A 99 -0.240 4.400 -8.099 1.00 60.01 H new ATOM 198 N TRP A 100 -1.425 1.543 -7.015 1.00 31.04 N ATOM 199 CA TRP A 100 -2.635 0.736 -6.896 1.00 21.50 C ATOM 200 C TRP A 100 -3.881 1.589 -7.108 1.00 31.54 C ATOM 201 O TRP A 100 -4.055 2.622 -6.462 1.00 34.41 O ATOM 202 CB TRP A 100 -2.690 0.061 -5.525 1.00 32.43 C ATOM 203 CG TRP A 100 -1.503 -0.808 -5.243 1.00 25.42 C ATOM 204 CD1 TRP A 100 -1.260 -2.054 -5.748 1.00 64.24 C ATOM 205 CD2 TRP A 100 -0.397 -0.499 -4.386 1.00 34.01 C ATOM 206 NE1 TRP A 100 -0.069 -2.536 -5.258 1.00 34.43 N ATOM 207 CE2 TRP A 100 0.479 -1.601 -4.420 1.00 62.15 C ATOM 208 CE3 TRP A 100 -0.062 0.604 -3.596 1.00 30.30 C ATOM 209 CZ2 TRP A 100 1.666 -1.631 -3.695 1.00 33.14 C ATOM 210 CZ3 TRP A 100 1.116 0.572 -2.874 1.00 44.41 C ATOM 211 CH2 TRP A 100 1.969 -0.538 -2.929 1.00 22.24 C ATOM 0 H TRP A 100 -1.546 2.524 -6.761 1.00 31.04 H new ATOM 0 HA TRP A 100 -2.608 -0.032 -7.669 1.00 21.50 H new ATOM 0 HB2 TRP A 100 -2.762 0.827 -4.753 1.00 32.43 H new ATOM 0 HB3 TRP A 100 -3.596 -0.542 -5.461 1.00 32.43 H new ATOM 0 HD1 TRP A 100 -1.908 -2.583 -6.431 1.00 64.24 H new ATOM 0 HE1 TRP A 100 0.340 -3.443 -5.482 1.00 34.43 H new ATOM 0 HE3 TRP A 100 -0.712 1.466 -3.551 1.00 30.30 H new ATOM 0 HZ2 TRP A 100 2.325 -2.486 -3.735 1.00 33.14 H new ATOM 0 HZ3 TRP A 100 1.384 1.417 -2.257 1.00 44.41 H new ATOM 0 HH2 TRP A 100 2.884 -0.531 -2.355 1.00 22.24 H new ATOM 222 N VAL A 101 -4.746 1.149 -8.017 1.00 32.13 N ATOM 223 CA VAL A 101 -5.977 1.872 -8.311 1.00 55.54 C ATOM 224 C VAL A 101 -7.191 1.145 -7.743 1.00 14.21 C ATOM 225 O VAL A 101 -7.519 0.036 -8.165 1.00 42.24 O ATOM 226 CB VAL A 101 -6.169 2.059 -9.828 1.00 62.14 C ATOM 227 CG1 VAL A 101 -7.344 2.982 -10.109 1.00 13.23 C ATOM 228 CG2 VAL A 101 -4.895 2.595 -10.463 1.00 52.13 C ATOM 0 H VAL A 101 -4.617 0.296 -8.562 1.00 32.13 H new ATOM 0 HA VAL A 101 -5.889 2.851 -7.839 1.00 55.54 H new ATOM 0 HB VAL A 101 -6.388 1.088 -10.271 1.00 62.14 H new ATOM 0 HG11 VAL A 101 -7.463 3.102 -11.186 1.00 13.23 H new ATOM 0 HG12 VAL A 101 -8.253 2.552 -9.689 1.00 13.23 H new ATOM 0 HG13 VAL A 101 -7.159 3.955 -9.654 1.00 13.23 H new ATOM 0 HG21 VAL A 101 -5.048 2.721 -11.535 1.00 52.13 H new ATOM 0 HG22 VAL A 101 -4.643 3.557 -10.017 1.00 52.13 H new ATOM 0 HG23 VAL A 101 -4.080 1.891 -10.293 1.00 52.13 H new ATOM 238 N LEU A 102 -7.855 1.778 -6.782 1.00 70.02 N ATOM 239 CA LEU A 102 -9.035 1.193 -6.154 1.00 64.33 C ATOM 240 C LEU A 102 -10.094 2.257 -5.885 1.00 24.43 C ATOM 241 O LEU A 102 -9.770 3.411 -5.606 1.00 32.12 O ATOM 242 CB LEU A 102 -8.650 0.498 -4.846 1.00 45.15 C ATOM 243 CG LEU A 102 -8.254 1.416 -3.690 1.00 22.21 C ATOM 244 CD1 LEU A 102 -8.907 0.957 -2.396 1.00 74.30 C ATOM 245 CD2 LEU A 102 -6.740 1.462 -3.538 1.00 52.44 C ATOM 0 H LEU A 102 -7.597 2.696 -6.421 1.00 70.02 H new ATOM 0 HA LEU A 102 -9.453 0.457 -6.840 1.00 64.33 H new ATOM 0 HB2 LEU A 102 -9.490 -0.117 -4.524 1.00 45.15 H new ATOM 0 HB3 LEU A 102 -7.819 -0.178 -5.048 1.00 45.15 H new ATOM 0 HG LEU A 102 -8.607 2.423 -3.915 1.00 22.21 H new ATOM 0 HD11 LEU A 102 -8.613 1.623 -1.584 1.00 74.30 H new ATOM 0 HD12 LEU A 102 -9.991 0.978 -2.508 1.00 74.30 H new ATOM 0 HD13 LEU A 102 -8.585 -0.059 -2.167 1.00 74.30 H new ATOM 0 HD21 LEU A 102 -6.477 2.121 -2.710 1.00 52.44 H new ATOM 0 HD22 LEU A 102 -6.364 0.459 -3.337 1.00 52.44 H new ATOM 0 HD23 LEU A 102 -6.293 1.840 -4.458 1.00 52.44 H new ATOM 257 N ARG A 103 -11.359 1.859 -5.967 1.00 50.34 N ATOM 258 CA ARG A 103 -12.466 2.779 -5.732 1.00 22.04 C ATOM 259 C ARG A 103 -12.588 3.112 -4.248 1.00 10.41 C ATOM 260 O ARG A 103 -13.268 2.410 -3.497 1.00 51.53 O ATOM 261 CB ARG A 103 -13.775 2.175 -6.240 1.00 74.23 C ATOM 262 CG ARG A 103 -14.069 2.494 -7.698 1.00 1.45 C ATOM 263 CD ARG A 103 -15.558 2.421 -7.995 1.00 22.32 C ATOM 264 NE ARG A 103 -16.038 3.612 -8.691 1.00 22.53 N ATOM 265 CZ ARG A 103 -17.232 3.697 -9.264 1.00 72.01 C ATOM 266 NH1 ARG A 103 -18.066 2.666 -9.226 1.00 3.24 N ATOM 267 NH2 ARG A 103 -17.597 4.816 -9.878 1.00 33.32 N ATOM 0 H ARG A 103 -11.643 0.906 -6.194 1.00 50.34 H new ATOM 0 HA ARG A 103 -12.264 3.700 -6.278 1.00 22.04 H new ATOM 0 HB2 ARG A 103 -13.739 1.093 -6.114 1.00 74.23 H new ATOM 0 HB3 ARG A 103 -14.597 2.540 -5.624 1.00 74.23 H new ATOM 0 HG2 ARG A 103 -13.698 3.491 -7.935 1.00 1.45 H new ATOM 0 HG3 ARG A 103 -13.534 1.794 -8.340 1.00 1.45 H new ATOM 0 HD2 ARG A 103 -15.763 1.539 -8.602 1.00 22.32 H new ATOM 0 HD3 ARG A 103 -16.108 2.301 -7.062 1.00 22.32 H new ATOM 0 HE ARG A 103 -15.421 4.423 -8.739 1.00 22.53 H new ATOM 0 HH11 ARG A 103 -17.790 1.804 -8.755 1.00 3.24 H new ATOM 0 HH12 ARG A 103 -18.983 2.735 -9.668 1.00 3.24 H new ATOM 0 HH21 ARG A 103 -16.959 5.612 -9.910 1.00 33.32 H new ATOM 0 HH22 ARG A 103 -18.515 4.880 -10.318 1.00 33.32 H new ATOM 281 N LEU A 104 -11.927 4.187 -3.832 1.00 31.15 N ATOM 282 CA LEU A 104 -11.962 4.613 -2.437 1.00 41.31 C ATOM 283 C LEU A 104 -12.488 6.039 -2.317 1.00 13.41 C ATOM 284 O LEU A 104 -12.340 6.846 -3.235 1.00 65.03 O ATOM 285 CB LEU A 104 -10.565 4.519 -1.819 1.00 42.53 C ATOM 286 CG LEU A 104 -10.507 4.100 -0.350 1.00 55.31 C ATOM 287 CD1 LEU A 104 -9.364 3.125 -0.117 1.00 52.44 C ATOM 288 CD2 LEU A 104 -10.362 5.320 0.548 1.00 42.44 C ATOM 0 H LEU A 104 -11.361 4.779 -4.440 1.00 31.15 H new ATOM 0 HA LEU A 104 -12.637 3.949 -1.897 1.00 41.31 H new ATOM 0 HB2 LEU A 104 -9.979 3.809 -2.402 1.00 42.53 H new ATOM 0 HB3 LEU A 104 -10.080 5.490 -1.918 1.00 42.53 H new ATOM 0 HG LEU A 104 -11.441 3.598 -0.099 1.00 55.31 H new ATOM 0 HD11 LEU A 104 -9.339 2.838 0.934 1.00 52.44 H new ATOM 0 HD12 LEU A 104 -9.512 2.237 -0.732 1.00 52.44 H new ATOM 0 HD13 LEU A 104 -8.420 3.600 -0.386 1.00 52.44 H new ATOM 0 HD21 LEU A 104 -10.322 5.002 1.590 1.00 42.44 H new ATOM 0 HD22 LEU A 104 -9.444 5.851 0.295 1.00 42.44 H new ATOM 0 HD23 LEU A 104 -11.216 5.982 0.403 1.00 42.44 H new ATOM 300 N ASP A 105 -13.101 6.344 -1.178 1.00 50.43 N ATOM 301 CA ASP A 105 -13.647 7.675 -0.937 1.00 10.24 C ATOM 302 C ASP A 105 -14.789 7.979 -1.902 1.00 24.51 C ATOM 303 O ASP A 105 -15.201 9.128 -2.050 1.00 75.43 O ATOM 304 CB ASP A 105 -12.550 8.732 -1.076 1.00 12.13 C ATOM 305 CG ASP A 105 -12.504 9.678 0.108 1.00 35.12 C ATOM 306 OD1 ASP A 105 -13.287 10.651 0.122 1.00 22.34 O ATOM 307 OD2 ASP A 105 -11.686 9.444 1.022 1.00 73.20 O ATOM 0 H ASP A 105 -13.232 5.688 -0.408 1.00 50.43 H new ATOM 0 HA ASP A 105 -14.039 7.700 0.080 1.00 10.24 H new ATOM 0 HB2 ASP A 105 -11.584 8.238 -1.180 1.00 12.13 H new ATOM 0 HB3 ASP A 105 -12.715 9.305 -1.989 1.00 12.13 H new ATOM 312 N GLY A 106 -15.294 6.939 -2.558 1.00 63.51 N ATOM 313 CA GLY A 106 -16.382 7.114 -3.503 1.00 11.25 C ATOM 314 C GLY A 106 -15.890 7.404 -4.907 1.00 22.04 C ATOM 315 O GLY A 106 -16.688 7.588 -5.825 1.00 35.25 O ATOM 0 H GLY A 106 -14.969 5.978 -2.452 1.00 63.51 H new ATOM 0 HA2 GLY A 106 -16.997 6.214 -3.515 1.00 11.25 H new ATOM 0 HA3 GLY A 106 -17.021 7.932 -3.169 1.00 11.25 H new ATOM 319 N GLU A 107 -14.572 7.448 -5.073 1.00 73.43 N ATOM 320 CA GLU A 107 -13.976 7.720 -6.375 1.00 63.22 C ATOM 321 C GLU A 107 -12.754 6.837 -6.611 1.00 21.11 C ATOM 322 O GLU A 107 -12.310 6.121 -5.712 1.00 53.33 O ATOM 323 CB GLU A 107 -13.581 9.195 -6.482 1.00 24.12 C ATOM 324 CG GLU A 107 -14.756 10.123 -6.735 1.00 55.21 C ATOM 325 CD GLU A 107 -14.323 11.542 -7.045 1.00 50.42 C ATOM 326 OE1 GLU A 107 -13.420 12.053 -6.350 1.00 71.11 O ATOM 327 OE2 GLU A 107 -14.888 12.143 -7.984 1.00 23.03 O ATOM 0 H GLU A 107 -13.897 7.299 -4.323 1.00 73.43 H new ATOM 0 HA GLU A 107 -14.719 7.493 -7.140 1.00 63.22 H new ATOM 0 HB2 GLU A 107 -13.083 9.497 -5.561 1.00 24.12 H new ATOM 0 HB3 GLU A 107 -12.857 9.311 -7.289 1.00 24.12 H new ATOM 0 HG2 GLU A 107 -15.346 9.737 -7.566 1.00 55.21 H new ATOM 0 HG3 GLU A 107 -15.405 10.128 -5.859 1.00 55.21 H new ATOM 334 N ASP A 108 -12.215 6.892 -7.824 1.00 55.40 N ATOM 335 CA ASP A 108 -11.045 6.099 -8.178 1.00 23.51 C ATOM 336 C ASP A 108 -9.807 6.596 -7.439 1.00 21.33 C ATOM 337 O ASP A 108 -9.078 7.457 -7.934 1.00 32.32 O ATOM 338 CB ASP A 108 -10.806 6.147 -9.688 1.00 1.24 C ATOM 339 CG ASP A 108 -11.626 5.116 -10.437 1.00 71.43 C ATOM 340 OD1 ASP A 108 -11.512 3.916 -10.111 1.00 5.11 O ATOM 341 OD2 ASP A 108 -12.383 5.509 -11.350 1.00 22.22 O ATOM 0 H ASP A 108 -12.571 7.478 -8.579 1.00 55.40 H new ATOM 0 HA ASP A 108 -11.234 5.067 -7.881 1.00 23.51 H new ATOM 0 HB2 ASP A 108 -11.051 7.142 -10.060 1.00 1.24 H new ATOM 0 HB3 ASP A 108 -9.748 5.982 -9.891 1.00 1.24 H new ATOM 346 N LEU A 109 -9.575 6.050 -6.250 1.00 12.52 N ATOM 347 CA LEU A 109 -8.426 6.439 -5.440 1.00 43.41 C ATOM 348 C LEU A 109 -7.140 5.831 -5.992 1.00 12.10 C ATOM 349 O LEU A 109 -7.058 4.624 -6.214 1.00 64.30 O ATOM 350 CB LEU A 109 -8.627 6.002 -3.989 1.00 20.22 C ATOM 351 CG LEU A 109 -7.963 6.877 -2.925 1.00 13.11 C ATOM 352 CD1 LEU A 109 -8.984 7.804 -2.282 1.00 52.03 C ATOM 353 CD2 LEU A 109 -7.286 6.014 -1.870 1.00 64.43 C ATOM 0 H LEU A 109 -10.168 5.336 -5.826 1.00 12.52 H new ATOM 0 HA LEU A 109 -8.339 7.525 -5.477 1.00 43.41 H new ATOM 0 HB2 LEU A 109 -9.697 5.968 -3.786 1.00 20.22 H new ATOM 0 HB3 LEU A 109 -8.250 4.985 -3.881 1.00 20.22 H new ATOM 0 HG LEU A 109 -7.201 7.488 -3.409 1.00 13.11 H new ATOM 0 HD11 LEU A 109 -8.493 8.419 -1.528 1.00 52.03 H new ATOM 0 HD12 LEU A 109 -9.423 8.447 -3.045 1.00 52.03 H new ATOM 0 HD13 LEU A 109 -9.769 7.211 -1.812 1.00 52.03 H new ATOM 0 HD21 LEU A 109 -6.819 6.654 -1.121 1.00 64.43 H new ATOM 0 HD22 LEU A 109 -8.029 5.376 -1.390 1.00 64.43 H new ATOM 0 HD23 LEU A 109 -6.525 5.393 -2.342 1.00 64.43 H new ATOM 365 N ARG A 110 -6.137 6.676 -6.210 1.00 55.21 N ATOM 366 CA ARG A 110 -4.856 6.222 -6.736 1.00 1.33 C ATOM 367 C ARG A 110 -3.795 6.204 -5.638 1.00 72.24 C ATOM 368 O ARG A 110 -3.360 7.252 -5.162 1.00 64.44 O ATOM 369 CB ARG A 110 -4.402 7.126 -7.883 1.00 1.13 C ATOM 370 CG ARG A 110 -3.215 6.577 -8.658 1.00 71.15 C ATOM 371 CD ARG A 110 -2.979 7.357 -9.942 1.00 34.50 C ATOM 372 NE ARG A 110 -2.083 6.650 -10.854 1.00 52.12 N ATOM 373 CZ ARG A 110 -1.763 7.098 -12.063 1.00 2.30 C ATOM 374 NH1 ARG A 110 -2.262 8.245 -12.503 1.00 34.00 N ATOM 375 NH2 ARG A 110 -0.941 6.399 -12.835 1.00 74.11 N ATOM 0 H ARG A 110 -6.188 7.679 -6.030 1.00 55.21 H new ATOM 0 HA ARG A 110 -4.984 5.207 -7.112 1.00 1.33 H new ATOM 0 HB2 ARG A 110 -5.236 7.275 -8.569 1.00 1.13 H new ATOM 0 HB3 ARG A 110 -4.141 8.105 -7.481 1.00 1.13 H new ATOM 0 HG2 ARG A 110 -2.321 6.620 -8.035 1.00 71.15 H new ATOM 0 HG3 ARG A 110 -3.388 5.527 -8.895 1.00 71.15 H new ATOM 0 HD2 ARG A 110 -3.933 7.537 -10.438 1.00 34.50 H new ATOM 0 HD3 ARG A 110 -2.556 8.332 -9.701 1.00 34.50 H new ATOM 0 HE ARG A 110 -1.681 5.764 -10.546 1.00 52.12 H new ATOM 0 HH11 ARG A 110 -2.894 8.786 -11.913 1.00 34.00 H new ATOM 0 HH12 ARG A 110 -2.014 8.586 -13.432 1.00 34.00 H new ATOM 0 HH21 ARG A 110 -0.554 5.517 -12.500 1.00 74.11 H new ATOM 0 HH22 ARG A 110 -0.696 6.744 -13.763 1.00 74.11 H new ATOM 389 N VAL A 111 -3.383 5.003 -5.242 1.00 14.54 N ATOM 390 CA VAL A 111 -2.374 4.847 -4.201 1.00 52.24 C ATOM 391 C VAL A 111 -0.984 4.678 -4.806 1.00 21.35 C ATOM 392 O VAL A 111 -0.812 3.988 -5.810 1.00 42.34 O ATOM 393 CB VAL A 111 -2.680 3.637 -3.300 1.00 33.34 C ATOM 394 CG1 VAL A 111 -2.175 3.883 -1.886 1.00 40.11 C ATOM 395 CG2 VAL A 111 -4.171 3.338 -3.297 1.00 14.22 C ATOM 0 H VAL A 111 -3.732 4.125 -5.626 1.00 14.54 H new ATOM 0 HA VAL A 111 -2.398 5.754 -3.598 1.00 52.24 H new ATOM 0 HB VAL A 111 -2.159 2.767 -3.701 1.00 33.34 H new ATOM 0 HG11 VAL A 111 -2.400 3.017 -1.263 1.00 40.11 H new ATOM 0 HG12 VAL A 111 -1.097 4.044 -1.907 1.00 40.11 H new ATOM 0 HG13 VAL A 111 -2.665 4.764 -1.473 1.00 40.11 H new ATOM 0 HG21 VAL A 111 -4.369 2.480 -2.655 1.00 14.22 H new ATOM 0 HG22 VAL A 111 -4.715 4.205 -2.922 1.00 14.22 H new ATOM 0 HG23 VAL A 111 -4.499 3.115 -4.312 1.00 14.22 H new ATOM 405 N VAL A 112 0.006 5.312 -4.185 1.00 0.35 N ATOM 406 CA VAL A 112 1.382 5.231 -4.660 1.00 74.33 C ATOM 407 C VAL A 112 2.352 5.021 -3.502 1.00 72.34 C ATOM 408 O VAL A 112 2.308 5.739 -2.503 1.00 63.14 O ATOM 409 CB VAL A 112 1.786 6.503 -5.429 1.00 61.13 C ATOM 410 CG1 VAL A 112 3.254 6.445 -5.823 1.00 73.22 C ATOM 411 CG2 VAL A 112 0.903 6.687 -6.655 1.00 25.23 C ATOM 0 H VAL A 112 -0.120 5.887 -3.352 1.00 0.35 H new ATOM 0 HA VAL A 112 1.434 4.376 -5.334 1.00 74.33 H new ATOM 0 HB VAL A 112 1.644 7.363 -4.775 1.00 61.13 H new ATOM 0 HG11 VAL A 112 3.521 7.352 -6.365 1.00 73.22 H new ATOM 0 HG12 VAL A 112 3.868 6.364 -4.926 1.00 73.22 H new ATOM 0 HG13 VAL A 112 3.426 5.577 -6.460 1.00 73.22 H new ATOM 0 HG21 VAL A 112 1.202 7.590 -7.187 1.00 25.23 H new ATOM 0 HG22 VAL A 112 1.011 5.826 -7.314 1.00 25.23 H new ATOM 0 HG23 VAL A 112 -0.138 6.777 -6.344 1.00 25.23 H new ATOM 421 N LEU A 113 3.226 4.031 -3.644 1.00 74.32 N ATOM 422 CA LEU A 113 4.208 3.724 -2.609 1.00 40.03 C ATOM 423 C LEU A 113 5.628 3.905 -3.137 1.00 62.44 C ATOM 424 O LEU A 113 6.131 3.071 -3.889 1.00 61.25 O ATOM 425 CB LEU A 113 4.017 2.294 -2.105 1.00 21.42 C ATOM 426 CG LEU A 113 5.094 1.767 -1.156 1.00 5.35 C ATOM 427 CD1 LEU A 113 5.568 2.869 -0.220 1.00 54.24 C ATOM 428 CD2 LEU A 113 4.571 0.579 -0.362 1.00 25.23 C ATOM 0 H LEU A 113 3.275 3.427 -4.465 1.00 74.32 H new ATOM 0 HA LEU A 113 4.056 4.416 -1.781 1.00 40.03 H new ATOM 0 HB2 LEU A 113 3.054 2.234 -1.598 1.00 21.42 H new ATOM 0 HB3 LEU A 113 3.965 1.630 -2.968 1.00 21.42 H new ATOM 0 HG LEU A 113 5.944 1.434 -1.752 1.00 5.35 H new ATOM 0 HD11 LEU A 113 6.334 2.475 0.448 1.00 54.24 H new ATOM 0 HD12 LEU A 113 5.984 3.689 -0.805 1.00 54.24 H new ATOM 0 HD13 LEU A 113 4.726 3.233 0.369 1.00 54.24 H new ATOM 0 HD21 LEU A 113 5.351 0.217 0.308 1.00 25.23 H new ATOM 0 HD22 LEU A 113 3.704 0.886 0.223 1.00 25.23 H new ATOM 0 HD23 LEU A 113 4.283 -0.218 -1.047 1.00 25.23 H new ATOM 440 N GLU A 114 6.270 4.997 -2.735 1.00 21.13 N ATOM 441 CA GLU A 114 7.632 5.285 -3.167 1.00 31.42 C ATOM 442 C GLU A 114 8.644 4.511 -2.326 1.00 10.14 C ATOM 443 O GLU A 114 8.652 4.609 -1.098 1.00 4.01 O ATOM 444 CB GLU A 114 7.915 6.786 -3.072 1.00 30.31 C ATOM 445 CG GLU A 114 8.391 7.399 -4.377 1.00 52.22 C ATOM 446 CD GLU A 114 7.469 8.495 -4.877 1.00 44.43 C ATOM 447 OE1 GLU A 114 7.669 9.664 -4.484 1.00 61.24 O ATOM 448 OE2 GLU A 114 6.548 8.183 -5.661 1.00 63.03 O ATOM 0 H GLU A 114 5.869 5.697 -2.111 1.00 21.13 H new ATOM 0 HA GLU A 114 7.731 4.970 -4.206 1.00 31.42 H new ATOM 0 HB2 GLU A 114 7.009 7.298 -2.749 1.00 30.31 H new ATOM 0 HB3 GLU A 114 8.669 6.957 -2.304 1.00 30.31 H new ATOM 0 HG2 GLU A 114 9.392 7.807 -4.239 1.00 52.22 H new ATOM 0 HG3 GLU A 114 8.466 6.619 -5.135 1.00 52.22 H new ATOM 455 N LYS A 115 9.496 3.742 -2.995 1.00 3.11 N ATOM 456 CA LYS A 115 10.513 2.952 -2.312 1.00 34.10 C ATOM 457 C LYS A 115 11.504 3.853 -1.583 1.00 1.34 C ATOM 458 O LYS A 115 12.252 3.397 -0.718 1.00 31.23 O ATOM 459 CB LYS A 115 11.256 2.064 -3.313 1.00 44.42 C ATOM 460 CG LYS A 115 12.233 2.825 -4.192 1.00 43.24 C ATOM 461 CD LYS A 115 13.669 2.402 -3.926 1.00 71.44 C ATOM 462 CE LYS A 115 14.656 3.474 -4.362 1.00 71.12 C ATOM 463 NZ LYS A 115 16.062 2.989 -4.304 1.00 64.03 N ATOM 0 H LYS A 115 9.502 3.649 -4.011 1.00 3.11 H new ATOM 0 HA LYS A 115 10.014 2.321 -1.577 1.00 34.10 H new ATOM 0 HB2 LYS A 115 11.797 1.290 -2.768 1.00 44.42 H new ATOM 0 HB3 LYS A 115 10.528 1.558 -3.947 1.00 44.42 H new ATOM 0 HG2 LYS A 115 11.990 2.653 -5.241 1.00 43.24 H new ATOM 0 HG3 LYS A 115 12.129 3.895 -4.012 1.00 43.24 H new ATOM 0 HD2 LYS A 115 13.798 2.198 -2.863 1.00 71.44 H new ATOM 0 HD3 LYS A 115 13.880 1.474 -4.457 1.00 71.44 H new ATOM 0 HE2 LYS A 115 14.423 3.791 -5.379 1.00 71.12 H new ATOM 0 HE3 LYS A 115 14.547 4.350 -3.722 1.00 71.12 H new ATOM 0 HZ1 LYS A 115 16.704 3.748 -4.609 1.00 64.03 H new ATOM 0 HZ2 LYS A 115 16.293 2.710 -3.329 1.00 64.03 H new ATOM 0 HZ3 LYS A 115 16.173 2.169 -4.934 1.00 64.03 H new ATOM 477 N ASP A 116 11.503 5.133 -1.937 1.00 0.41 N ATOM 478 CA ASP A 116 12.401 6.099 -1.313 1.00 52.55 C ATOM 479 C ASP A 116 12.299 6.033 0.207 1.00 51.40 C ATOM 480 O ASP A 116 13.298 5.833 0.898 1.00 20.55 O ATOM 481 CB ASP A 116 12.077 7.514 -1.797 1.00 14.33 C ATOM 482 CG ASP A 116 12.451 7.729 -3.251 1.00 30.24 C ATOM 483 OD1 ASP A 116 12.550 6.729 -3.991 1.00 72.15 O ATOM 484 OD2 ASP A 116 12.646 8.897 -3.647 1.00 14.20 O ATOM 0 H ASP A 116 10.891 5.526 -2.652 1.00 0.41 H new ATOM 0 HA ASP A 116 13.422 5.849 -1.602 1.00 52.55 H new ATOM 0 HB2 ASP A 116 11.012 7.704 -1.667 1.00 14.33 H new ATOM 0 HB3 ASP A 116 12.608 8.237 -1.178 1.00 14.33 H new ATOM 489 N THR A 117 11.086 6.203 0.723 1.00 15.20 N ATOM 490 CA THR A 117 10.855 6.165 2.161 1.00 74.31 C ATOM 491 C THR A 117 9.660 5.282 2.503 1.00 62.21 C ATOM 492 O THR A 117 9.114 5.358 3.603 1.00 72.43 O ATOM 493 CB THR A 117 10.613 7.577 2.729 1.00 31.55 C ATOM 494 OG1 THR A 117 11.403 8.533 2.015 1.00 2.24 O ATOM 495 CG2 THR A 117 10.958 7.630 4.210 1.00 62.41 C ATOM 0 H THR A 117 10.248 6.368 0.166 1.00 15.20 H new ATOM 0 HA THR A 117 11.754 5.748 2.614 1.00 74.31 H new ATOM 0 HB THR A 117 9.557 7.818 2.610 1.00 31.55 H new ATOM 0 HG1 THR A 117 11.243 9.428 2.380 1.00 2.24 H new ATOM 0 HG21 THR A 117 10.779 8.636 4.589 1.00 62.41 H new ATOM 0 HG22 THR A 117 10.334 6.921 4.754 1.00 62.41 H new ATOM 0 HG23 THR A 117 12.008 7.371 4.349 1.00 62.41 H new ATOM 503 N MET A 118 9.260 4.442 1.553 1.00 14.41 N ATOM 504 CA MET A 118 8.131 3.542 1.754 1.00 12.24 C ATOM 505 C MET A 118 6.886 4.318 2.176 1.00 62.41 C ATOM 506 O MET A 118 6.048 3.808 2.920 1.00 23.13 O ATOM 507 CB MET A 118 8.472 2.490 2.811 1.00 4.34 C ATOM 508 CG MET A 118 9.390 1.392 2.300 1.00 63.32 C ATOM 509 SD MET A 118 9.617 0.063 3.498 1.00 50.04 S ATOM 510 CE MET A 118 8.074 -0.827 3.314 1.00 41.14 C ATOM 0 H MET A 118 9.701 4.366 0.637 1.00 14.41 H new ATOM 0 HA MET A 118 7.924 3.042 0.808 1.00 12.24 H new ATOM 0 HB2 MET A 118 8.945 2.981 3.662 1.00 4.34 H new ATOM 0 HB3 MET A 118 7.548 2.040 3.175 1.00 4.34 H new ATOM 0 HG2 MET A 118 8.979 0.979 1.379 1.00 63.32 H new ATOM 0 HG3 MET A 118 10.360 1.822 2.051 1.00 63.32 H new ATOM 0 HE1 MET A 118 7.503 -0.761 4.240 1.00 41.14 H new ATOM 0 HE2 MET A 118 7.496 -0.389 2.500 1.00 41.14 H new ATOM 0 HE3 MET A 118 8.282 -1.873 3.089 1.00 41.14 H new ATOM 520 N ASP A 119 6.773 5.552 1.697 1.00 74.32 N ATOM 521 CA ASP A 119 5.630 6.397 2.023 1.00 32.41 C ATOM 522 C ASP A 119 4.475 6.144 1.061 1.00 52.35 C ATOM 523 O ASP A 119 4.686 5.839 -0.114 1.00 30.51 O ATOM 524 CB ASP A 119 6.031 7.872 1.983 1.00 42.22 C ATOM 525 CG ASP A 119 5.014 8.767 2.661 1.00 42.42 C ATOM 526 OD1 ASP A 119 4.820 8.624 3.885 1.00 31.43 O ATOM 527 OD2 ASP A 119 4.411 9.612 1.966 1.00 1.33 O ATOM 0 H ASP A 119 7.459 5.989 1.082 1.00 74.32 H new ATOM 0 HA ASP A 119 5.300 6.146 3.031 1.00 32.41 H new ATOM 0 HB2 ASP A 119 6.999 7.995 2.468 1.00 42.22 H new ATOM 0 HB3 ASP A 119 6.151 8.185 0.946 1.00 42.22 H new ATOM 532 N VAL A 120 3.251 6.272 1.565 1.00 50.22 N ATOM 533 CA VAL A 120 2.062 6.058 0.749 1.00 12.25 C ATOM 534 C VAL A 120 1.400 7.382 0.384 1.00 2.41 C ATOM 535 O VAL A 120 1.281 8.279 1.218 1.00 20.21 O ATOM 536 CB VAL A 120 1.036 5.169 1.477 1.00 63.41 C ATOM 537 CG1 VAL A 120 -0.120 4.820 0.551 1.00 33.11 C ATOM 538 CG2 VAL A 120 1.704 3.908 2.006 1.00 4.45 C ATOM 0 H VAL A 120 3.057 6.523 2.535 1.00 50.22 H new ATOM 0 HA VAL A 120 2.389 5.555 -0.161 1.00 12.25 H new ATOM 0 HB VAL A 120 0.637 5.725 2.325 1.00 63.41 H new ATOM 0 HG11 VAL A 120 -0.835 4.192 1.082 1.00 33.11 H new ATOM 0 HG12 VAL A 120 -0.614 5.735 0.225 1.00 33.11 H new ATOM 0 HG13 VAL A 120 0.259 4.283 -0.318 1.00 33.11 H new ATOM 0 HG21 VAL A 120 0.965 3.292 2.517 1.00 4.45 H new ATOM 0 HG22 VAL A 120 2.132 3.347 1.175 1.00 4.45 H new ATOM 0 HG23 VAL A 120 2.495 4.181 2.705 1.00 4.45 H new ATOM 548 N TRP A 121 0.973 7.497 -0.869 1.00 31.23 N ATOM 549 CA TRP A 121 0.322 8.713 -1.345 1.00 3.01 C ATOM 550 C TRP A 121 -1.036 8.397 -1.960 1.00 51.51 C ATOM 551 O TRP A 121 -1.152 7.515 -2.812 1.00 50.10 O ATOM 552 CB TRP A 121 1.209 9.421 -2.371 1.00 22.14 C ATOM 553 CG TRP A 121 1.009 10.906 -2.404 1.00 41.11 C ATOM 554 CD1 TRP A 121 0.569 11.696 -1.381 1.00 0.22 C ATOM 555 CD2 TRP A 121 1.241 11.777 -3.516 1.00 54.22 C ATOM 556 NE1 TRP A 121 0.513 13.007 -1.791 1.00 30.24 N ATOM 557 CE2 TRP A 121 0.921 13.083 -3.096 1.00 12.20 C ATOM 558 CE3 TRP A 121 1.689 11.581 -4.825 1.00 55.44 C ATOM 559 CZ2 TRP A 121 1.034 14.185 -3.939 1.00 53.15 C ATOM 560 CZ3 TRP A 121 1.801 12.676 -5.662 1.00 14.12 C ATOM 561 CH2 TRP A 121 1.475 13.964 -5.216 1.00 3.02 C ATOM 0 H TRP A 121 1.066 6.764 -1.573 1.00 31.23 H new ATOM 0 HA TRP A 121 0.168 9.373 -0.491 1.00 3.01 H new ATOM 0 HB2 TRP A 121 2.254 9.207 -2.146 1.00 22.14 H new ATOM 0 HB3 TRP A 121 1.005 9.012 -3.361 1.00 22.14 H new ATOM 0 HD1 TRP A 121 0.304 11.343 -0.395 1.00 0.22 H new ATOM 0 HE1 TRP A 121 0.216 13.795 -1.216 1.00 30.24 H new ATOM 0 HE3 TRP A 121 1.943 10.592 -5.177 1.00 55.44 H new ATOM 0 HZ2 TRP A 121 0.783 15.178 -3.598 1.00 53.15 H new ATOM 0 HZ3 TRP A 121 2.145 12.536 -6.676 1.00 14.12 H new ATOM 0 HH2 TRP A 121 1.574 14.799 -5.894 1.00 3.02 H new ATOM 572 N CYS A 122 -2.060 9.123 -1.526 1.00 2.20 N ATOM 573 CA CYS A 122 -3.412 8.920 -2.035 1.00 32.44 C ATOM 574 C CYS A 122 -4.112 10.254 -2.267 1.00 1.22 C ATOM 575 O CYS A 122 -4.069 11.145 -1.419 1.00 31.51 O ATOM 576 CB CYS A 122 -4.224 8.067 -1.058 1.00 41.54 C ATOM 577 SG CYS A 122 -4.699 8.931 0.457 1.00 62.41 S ATOM 0 H CYS A 122 -1.980 9.858 -0.823 1.00 2.20 H new ATOM 0 HA CYS A 122 -3.340 8.398 -2.989 1.00 32.44 H new ATOM 0 HB2 CYS A 122 -5.125 7.716 -1.561 1.00 41.54 H new ATOM 0 HB3 CYS A 122 -3.642 7.184 -0.793 1.00 41.54 H new ATOM 0 HG CYS A 122 -4.559 10.212 0.288 1.00 62.41 H new ATOM 583 N ASN A 123 -4.756 10.386 -3.422 1.00 44.51 N ATOM 584 CA ASN A 123 -5.464 11.614 -3.767 1.00 4.13 C ATOM 585 C ASN A 123 -4.606 12.840 -3.463 1.00 52.22 C ATOM 586 O ASN A 123 -5.065 13.789 -2.829 1.00 44.01 O ATOM 587 CB ASN A 123 -6.784 11.699 -2.999 1.00 1.21 C ATOM 588 CG ASN A 123 -7.911 10.969 -3.705 1.00 44.33 C ATOM 589 OD1 ASN A 123 -7.625 9.765 -4.187 1.00 44.43 O flip ATOM 590 ND2 ASN A 123 -9.024 11.483 -3.817 1.00 33.31 N flip ATOM 0 H ASN A 123 -4.802 9.658 -4.135 1.00 44.51 H new ATOM 0 HA ASN A 123 -5.674 11.595 -4.836 1.00 4.13 H new ATOM 0 HB2 ASN A 123 -6.650 11.278 -2.003 1.00 1.21 H new ATOM 0 HB3 ASN A 123 -7.058 12.746 -2.868 1.00 1.21 H new ATOM 0 HD21 ASN A 123 -9.198 12.411 -3.431 1.00 33.31 H new ATOM 0 HD22 ASN A 123 -9.772 10.981 -4.296 1.00 33.31 H new ATOM 597 N GLY A 124 -3.358 12.811 -3.923 1.00 14.45 N ATOM 598 CA GLY A 124 -2.458 13.925 -3.691 1.00 32.44 C ATOM 599 C GLY A 124 -2.407 14.337 -2.232 1.00 73.32 C ATOM 600 O GLY A 124 -2.443 15.525 -1.916 1.00 1.23 O ATOM 0 H GLY A 124 -2.955 12.037 -4.451 1.00 14.45 H new ATOM 0 HA2 GLY A 124 -1.456 13.654 -4.024 1.00 32.44 H new ATOM 0 HA3 GLY A 124 -2.775 14.776 -4.294 1.00 32.44 H new ATOM 604 N GLN A 125 -2.326 13.352 -1.344 1.00 22.45 N ATOM 605 CA GLN A 125 -2.273 13.618 0.088 1.00 23.44 C ATOM 606 C GLN A 125 -1.438 12.564 0.808 1.00 42.12 C ATOM 607 O GLN A 125 -1.762 11.377 0.783 1.00 22.52 O ATOM 608 CB GLN A 125 -3.685 13.654 0.674 1.00 4.35 C ATOM 609 CG GLN A 125 -4.079 15.013 1.229 1.00 72.11 C ATOM 610 CD GLN A 125 -3.255 15.411 2.438 1.00 42.30 C ATOM 611 OE1 GLN A 125 -3.229 14.705 3.446 1.00 13.52 O ATOM 612 NE2 GLN A 125 -2.575 16.548 2.342 1.00 14.35 N ATOM 0 H GLN A 125 -2.296 12.363 -1.591 1.00 22.45 H new ATOM 0 HA GLN A 125 -1.802 14.590 0.234 1.00 23.44 H new ATOM 0 HB2 GLN A 125 -4.398 13.366 -0.099 1.00 4.35 H new ATOM 0 HB3 GLN A 125 -3.759 12.911 1.468 1.00 4.35 H new ATOM 0 HG2 GLN A 125 -3.962 15.767 0.450 1.00 72.11 H new ATOM 0 HG3 GLN A 125 -5.134 14.998 1.502 1.00 72.11 H new ATOM 0 HE21 GLN A 125 -2.626 17.102 1.487 1.00 14.35 H new ATOM 0 HE22 GLN A 125 -2.002 16.867 3.123 1.00 14.35 H new ATOM 621 N LYS A 126 -0.361 13.006 1.449 1.00 63.00 N ATOM 622 CA LYS A 126 0.522 12.101 2.177 1.00 13.32 C ATOM 623 C LYS A 126 -0.267 11.253 3.169 1.00 32.03 C ATOM 624 O LYS A 126 -1.141 11.757 3.874 1.00 63.42 O ATOM 625 CB LYS A 126 1.603 12.894 2.915 1.00 54.22 C ATOM 626 CG LYS A 126 2.946 12.897 2.205 1.00 23.33 C ATOM 627 CD LYS A 126 3.684 14.208 2.414 1.00 51.23 C ATOM 628 CE LYS A 126 4.439 14.218 3.735 1.00 44.43 C ATOM 629 NZ LYS A 126 4.447 15.571 4.359 1.00 73.24 N ATOM 0 H LYS A 126 -0.078 13.986 1.479 1.00 63.00 H new ATOM 0 HA LYS A 126 0.997 11.437 1.454 1.00 13.32 H new ATOM 0 HB2 LYS A 126 1.265 13.923 3.040 1.00 54.22 H new ATOM 0 HB3 LYS A 126 1.730 12.476 3.914 1.00 54.22 H new ATOM 0 HG2 LYS A 126 3.556 12.072 2.574 1.00 23.33 H new ATOM 0 HG3 LYS A 126 2.795 12.729 1.139 1.00 23.33 H new ATOM 0 HD2 LYS A 126 4.383 14.368 1.593 1.00 51.23 H new ATOM 0 HD3 LYS A 126 2.973 15.034 2.394 1.00 51.23 H new ATOM 0 HE2 LYS A 126 3.981 13.505 4.420 1.00 44.43 H new ATOM 0 HE3 LYS A 126 5.465 13.888 3.570 1.00 44.43 H new ATOM 0 HZ1 LYS A 126 4.971 15.536 5.257 1.00 73.24 H new ATOM 0 HZ2 LYS A 126 4.906 16.247 3.716 1.00 73.24 H new ATOM 0 HZ3 LYS A 126 3.469 15.875 4.540 1.00 73.24 H new ATOM 643 N MET A 127 0.048 9.963 3.219 1.00 33.32 N ATOM 644 CA MET A 127 -0.631 9.046 4.127 1.00 64.21 C ATOM 645 C MET A 127 0.242 8.736 5.340 1.00 10.43 C ATOM 646 O MET A 127 1.441 9.009 5.337 1.00 23.14 O ATOM 647 CB MET A 127 -0.991 7.748 3.401 1.00 32.02 C ATOM 648 CG MET A 127 -2.199 7.879 2.487 1.00 60.11 C ATOM 649 SD MET A 127 -2.809 6.284 1.909 1.00 10.31 S ATOM 650 CE MET A 127 -3.380 5.562 3.445 1.00 14.43 C ATOM 0 H MET A 127 0.769 9.529 2.642 1.00 33.32 H new ATOM 0 HA MET A 127 -1.546 9.528 4.472 1.00 64.21 H new ATOM 0 HB2 MET A 127 -0.134 7.421 2.813 1.00 32.02 H new ATOM 0 HB3 MET A 127 -1.187 6.970 4.139 1.00 32.02 H new ATOM 0 HG2 MET A 127 -2.997 8.398 3.018 1.00 60.11 H new ATOM 0 HG3 MET A 127 -1.935 8.495 1.628 1.00 60.11 H new ATOM 0 HE1 MET A 127 -4.046 4.727 3.229 1.00 14.43 H new ATOM 0 HE2 MET A 127 -2.525 5.205 4.019 1.00 14.43 H new ATOM 0 HE3 MET A 127 -3.917 6.314 4.023 1.00 14.43 H new ATOM 660 N GLU A 128 -0.370 8.167 6.374 1.00 2.50 N ATOM 661 CA GLU A 128 0.353 7.824 7.593 1.00 73.10 C ATOM 662 C GLU A 128 0.415 6.311 7.781 1.00 71.23 C ATOM 663 O GLU A 128 -0.584 5.674 8.115 1.00 74.43 O ATOM 664 CB GLU A 128 -0.315 8.472 8.808 1.00 61.04 C ATOM 665 CG GLU A 128 0.380 9.737 9.282 1.00 31.14 C ATOM 666 CD GLU A 128 0.003 10.114 10.702 1.00 23.42 C ATOM 667 OE1 GLU A 128 -1.200 10.324 10.959 1.00 34.44 O ATOM 668 OE2 GLU A 128 0.911 10.198 11.555 1.00 45.32 O ATOM 0 H GLU A 128 -1.363 7.934 6.392 1.00 2.50 H new ATOM 0 HA GLU A 128 1.370 8.204 7.500 1.00 73.10 H new ATOM 0 HB2 GLU A 128 -1.350 8.707 8.561 1.00 61.04 H new ATOM 0 HB3 GLU A 128 -0.339 7.752 9.626 1.00 61.04 H new ATOM 0 HG2 GLU A 128 1.459 9.598 9.222 1.00 31.14 H new ATOM 0 HG3 GLU A 128 0.126 10.559 8.613 1.00 31.14 H new ATOM 675 N THR A 129 1.596 5.742 7.562 1.00 62.31 N ATOM 676 CA THR A 129 1.790 4.304 7.704 1.00 14.40 C ATOM 677 C THR A 129 2.436 3.967 9.043 1.00 64.14 C ATOM 678 O THR A 129 2.645 4.843 9.880 1.00 13.42 O ATOM 679 CB THR A 129 2.663 3.740 6.568 1.00 24.31 C ATOM 680 OG1 THR A 129 4.035 4.093 6.782 1.00 35.15 O ATOM 681 CG2 THR A 129 2.203 4.269 5.217 1.00 22.54 C ATOM 0 H THR A 129 2.433 6.255 7.285 1.00 62.31 H new ATOM 0 HA THR A 129 0.803 3.845 7.654 1.00 14.40 H new ATOM 0 HB THR A 129 2.563 2.655 6.569 1.00 24.31 H new ATOM 0 HG1 THR A 129 4.558 3.871 5.984 1.00 35.15 H new ATOM 0 HG21 THR A 129 2.835 3.857 4.430 1.00 22.54 H new ATOM 0 HG22 THR A 129 1.168 3.973 5.044 1.00 22.54 H new ATOM 0 HG23 THR A 129 2.276 5.357 5.208 1.00 22.54 H new ATOM 689 N ALA A 130 2.751 2.690 9.237 1.00 25.01 N ATOM 690 CA ALA A 130 3.377 2.238 10.473 1.00 64.30 C ATOM 691 C ALA A 130 4.786 1.712 10.215 1.00 35.43 C ATOM 692 O ALA A 130 5.655 1.788 11.082 1.00 41.34 O ATOM 693 CB ALA A 130 2.525 1.164 11.134 1.00 41.54 C ATOM 0 H ALA A 130 2.583 1.951 8.554 1.00 25.01 H new ATOM 0 HA ALA A 130 3.453 3.092 11.146 1.00 64.30 H new ATOM 0 HB1 ALA A 130 3.005 0.836 12.056 1.00 41.54 H new ATOM 0 HB2 ALA A 130 1.540 1.570 11.362 1.00 41.54 H new ATOM 0 HB3 ALA A 130 2.420 0.316 10.458 1.00 41.54 H new ATOM 699 N GLY A 131 5.003 1.178 9.017 1.00 45.34 N ATOM 700 CA GLY A 131 6.308 0.647 8.667 1.00 14.00 C ATOM 701 C GLY A 131 6.823 -0.347 9.690 1.00 51.35 C ATOM 702 O GLY A 131 8.028 -0.446 9.915 1.00 41.11 O ATOM 0 H GLY A 131 4.299 1.104 8.283 1.00 45.34 H new ATOM 0 HA2 GLY A 131 6.250 0.163 7.692 1.00 14.00 H new ATOM 0 HA3 GLY A 131 7.018 1.469 8.574 1.00 14.00 H new ATOM 706 N GLU A 132 5.906 -1.083 10.309 1.00 31.45 N ATOM 707 CA GLU A 132 6.275 -2.072 11.316 1.00 52.53 C ATOM 708 C GLU A 132 7.290 -3.065 10.756 1.00 75.20 C ATOM 709 O GLU A 132 6.957 -3.902 9.916 1.00 70.34 O ATOM 710 CB GLU A 132 5.033 -2.818 11.809 1.00 64.22 C ATOM 711 CG GLU A 132 4.963 -2.948 13.321 1.00 20.44 C ATOM 712 CD GLU A 132 3.602 -3.411 13.804 1.00 31.40 C ATOM 713 OE1 GLU A 132 2.604 -2.713 13.527 1.00 10.02 O ATOM 714 OE2 GLU A 132 3.535 -4.473 14.458 1.00 73.53 O ATOM 0 H GLU A 132 4.904 -1.014 10.132 1.00 31.45 H new ATOM 0 HA GLU A 132 6.731 -1.547 12.155 1.00 52.53 H new ATOM 0 HB2 GLU A 132 4.143 -2.298 11.456 1.00 64.22 H new ATOM 0 HB3 GLU A 132 5.017 -3.814 11.366 1.00 64.22 H new ATOM 0 HG2 GLU A 132 5.723 -3.653 13.657 1.00 20.44 H new ATOM 0 HG3 GLU A 132 5.198 -1.986 13.776 1.00 20.44 H new ATOM 781 N GLY A 137 10.457 -8.540 6.630 1.00 74.22 N ATOM 782 CA GLY A 137 9.430 -7.837 5.883 1.00 51.22 C ATOM 783 C GLY A 137 8.978 -6.567 6.574 1.00 1.50 C ATOM 784 O GLY A 137 9.458 -6.235 7.658 1.00 32.54 O ATOM 0 HA2 GLY A 137 9.810 -7.592 4.891 1.00 51.22 H new ATOM 0 HA3 GLY A 137 8.573 -8.495 5.742 1.00 51.22 H new ATOM 788 N THR A 138 8.052 -5.850 5.944 1.00 53.33 N ATOM 789 CA THR A 138 7.537 -4.606 6.503 1.00 33.25 C ATOM 790 C THR A 138 6.017 -4.543 6.397 1.00 62.40 C ATOM 791 O THR A 138 5.451 -4.790 5.334 1.00 53.43 O ATOM 792 CB THR A 138 8.140 -3.379 5.795 1.00 0.53 C ATOM 793 OG1 THR A 138 9.172 -3.792 4.892 1.00 61.40 O ATOM 794 CG2 THR A 138 8.709 -2.396 6.807 1.00 44.31 C ATOM 0 H THR A 138 7.643 -6.110 5.046 1.00 53.33 H new ATOM 0 HA THR A 138 7.827 -4.589 7.554 1.00 33.25 H new ATOM 0 HB THR A 138 7.346 -2.883 5.236 1.00 0.53 H new ATOM 0 HG1 THR A 138 9.754 -3.030 4.690 1.00 61.40 H new ATOM 0 HG21 THR A 138 9.129 -1.537 6.283 1.00 44.31 H new ATOM 0 HG22 THR A 138 7.915 -2.061 7.475 1.00 44.31 H new ATOM 0 HG23 THR A 138 9.491 -2.884 7.389 1.00 44.31 H new ATOM 802 N GLU A 139 5.365 -4.211 7.507 1.00 73.43 N ATOM 803 CA GLU A 139 3.909 -4.117 7.537 1.00 4.20 C ATOM 804 C GLU A 139 3.462 -2.664 7.665 1.00 30.23 C ATOM 805 O GLU A 139 3.403 -2.115 8.767 1.00 14.00 O ATOM 806 CB GLU A 139 3.347 -4.941 8.697 1.00 14.22 C ATOM 807 CG GLU A 139 4.009 -6.299 8.857 1.00 2.24 C ATOM 808 CD GLU A 139 3.463 -7.078 10.037 1.00 20.51 C ATOM 809 OE1 GLU A 139 3.705 -6.660 11.188 1.00 34.24 O ATOM 810 OE2 GLU A 139 2.793 -8.108 9.808 1.00 44.15 O ATOM 0 H GLU A 139 5.820 -4.003 8.396 1.00 73.43 H new ATOM 0 HA GLU A 139 3.524 -4.516 6.599 1.00 4.20 H new ATOM 0 HB2 GLU A 139 3.465 -4.377 9.622 1.00 14.22 H new ATOM 0 HB3 GLU A 139 2.277 -5.084 8.545 1.00 14.22 H new ATOM 0 HG2 GLU A 139 3.865 -6.879 7.945 1.00 2.24 H new ATOM 0 HG3 GLU A 139 5.083 -6.163 8.982 1.00 2.24 H new ATOM 817 N THR A 140 3.146 -2.045 6.532 1.00 62.15 N ATOM 818 CA THR A 140 2.706 -0.656 6.516 1.00 11.33 C ATOM 819 C THR A 140 1.239 -0.540 6.914 1.00 53.04 C ATOM 820 O THR A 140 0.349 -0.951 6.167 1.00 10.32 O ATOM 821 CB THR A 140 2.901 -0.019 5.127 1.00 72.41 C ATOM 822 OG1 THR A 140 3.220 -1.031 4.166 1.00 62.04 O ATOM 823 CG2 THR A 140 4.008 1.023 5.160 1.00 3.34 C ATOM 0 H THR A 140 3.187 -2.485 5.613 1.00 62.15 H new ATOM 0 HA THR A 140 3.321 -0.122 7.241 1.00 11.33 H new ATOM 0 HB THR A 140 1.971 0.472 4.842 1.00 72.41 H new ATOM 0 HG1 THR A 140 2.455 -1.635 4.061 1.00 62.04 H new ATOM 0 HG21 THR A 140 4.127 1.459 4.168 1.00 3.34 H new ATOM 0 HG22 THR A 140 3.749 1.807 5.872 1.00 3.34 H new ATOM 0 HG23 THR A 140 4.943 0.551 5.464 1.00 3.34 H new ATOM 831 N HIS A 141 0.992 0.021 8.093 1.00 34.24 N ATOM 832 CA HIS A 141 -0.369 0.192 8.588 1.00 34.43 C ATOM 833 C HIS A 141 -0.803 1.651 8.494 1.00 73.11 C ATOM 834 O HIS A 141 -0.269 2.515 9.189 1.00 44.43 O ATOM 835 CB HIS A 141 -0.472 -0.289 10.037 1.00 21.31 C ATOM 836 CG HIS A 141 0.059 -1.674 10.246 1.00 34.54 C ATOM 837 ND1 HIS A 141 -0.623 -2.808 9.858 1.00 12.03 N ATOM 838 CD2 HIS A 141 1.213 -2.105 10.807 1.00 42.14 C ATOM 839 CE1 HIS A 141 0.088 -3.877 10.173 1.00 52.54 C ATOM 840 NE2 HIS A 141 1.207 -3.477 10.748 1.00 3.31 N ATOM 0 H HIS A 141 1.716 0.365 8.723 1.00 34.24 H new ATOM 0 HA HIS A 141 -1.033 -0.407 7.965 1.00 34.43 H new ATOM 0 HB2 HIS A 141 0.073 0.402 10.680 1.00 21.31 H new ATOM 0 HB3 HIS A 141 -1.516 -0.258 10.348 1.00 21.31 H new ATOM 0 HD1 HIS A 141 -1.534 -2.820 9.399 1.00 12.03 H new ATOM 0 HD2 HIS A 141 1.993 -1.485 11.224 1.00 42.14 H new ATOM 0 HE1 HIS A 141 -0.198 -4.902 9.991 1.00 52.54 H new ATOM 848 N PHE A 142 -1.776 1.919 7.628 1.00 65.33 N ATOM 849 CA PHE A 142 -2.280 3.274 7.441 1.00 55.53 C ATOM 850 C PHE A 142 -3.806 3.290 7.429 1.00 3.22 C ATOM 851 O PHE A 142 -4.449 2.247 7.547 1.00 74.21 O ATOM 852 CB PHE A 142 -1.743 3.866 6.135 1.00 23.32 C ATOM 853 CG PHE A 142 -1.884 2.944 4.957 1.00 2.44 C ATOM 854 CD1 PHE A 142 -3.137 2.586 4.488 1.00 61.24 C ATOM 855 CD2 PHE A 142 -0.763 2.437 4.320 1.00 31.43 C ATOM 856 CE1 PHE A 142 -3.269 1.738 3.404 1.00 65.42 C ATOM 857 CE2 PHE A 142 -0.889 1.589 3.236 1.00 25.34 C ATOM 858 CZ PHE A 142 -2.144 1.240 2.776 1.00 20.15 C ATOM 0 H PHE A 142 -2.230 1.216 7.045 1.00 65.33 H new ATOM 0 HA PHE A 142 -1.934 3.882 8.277 1.00 55.53 H new ATOM 0 HB2 PHE A 142 -2.270 4.796 5.923 1.00 23.32 H new ATOM 0 HB3 PHE A 142 -0.691 4.118 6.265 1.00 23.32 H new ATOM 0 HD1 PHE A 142 -4.020 2.973 4.974 1.00 61.24 H new ATOM 0 HD2 PHE A 142 0.221 2.708 4.675 1.00 31.43 H new ATOM 0 HE1 PHE A 142 -4.252 1.465 3.048 1.00 65.42 H new ATOM 0 HE2 PHE A 142 -0.007 1.200 2.749 1.00 25.34 H new ATOM 0 HZ PHE A 142 -2.245 0.579 1.928 1.00 20.15 H new ATOM 868 N SER A 143 -4.378 4.481 7.285 1.00 15.14 N ATOM 869 CA SER A 143 -5.828 4.635 7.262 1.00 72.41 C ATOM 870 C SER A 143 -6.248 5.668 6.223 1.00 53.31 C ATOM 871 O SER A 143 -5.436 6.471 5.765 1.00 1.21 O ATOM 872 CB SER A 143 -6.341 5.045 8.644 1.00 54.33 C ATOM 873 OG SER A 143 -5.818 6.305 9.028 1.00 22.32 O ATOM 0 H SER A 143 -3.860 5.353 7.183 1.00 15.14 H new ATOM 0 HA SER A 143 -6.266 3.675 6.991 1.00 72.41 H new ATOM 0 HB2 SER A 143 -7.430 5.088 8.633 1.00 54.33 H new ATOM 0 HB3 SER A 143 -6.059 4.291 9.379 1.00 54.33 H new ATOM 0 HG SER A 143 -6.162 6.546 9.914 1.00 22.32 H new ATOM 879 N VAL A 144 -7.525 5.643 5.854 1.00 34.02 N ATOM 880 CA VAL A 144 -8.056 6.579 4.870 1.00 61.53 C ATOM 881 C VAL A 144 -9.505 6.940 5.180 1.00 1.40 C ATOM 882 O VAL A 144 -10.425 6.188 4.863 1.00 53.11 O ATOM 883 CB VAL A 144 -7.977 5.999 3.445 1.00 54.03 C ATOM 884 CG1 VAL A 144 -8.419 7.034 2.422 1.00 4.22 C ATOM 885 CG2 VAL A 144 -6.568 5.509 3.147 1.00 72.02 C ATOM 0 H VAL A 144 -8.211 4.984 6.222 1.00 34.02 H new ATOM 0 HA VAL A 144 -7.441 7.478 4.924 1.00 61.53 H new ATOM 0 HB VAL A 144 -8.654 5.147 3.380 1.00 54.03 H new ATOM 0 HG11 VAL A 144 -8.356 6.606 1.421 1.00 4.22 H new ATOM 0 HG12 VAL A 144 -9.448 7.331 2.626 1.00 4.22 H new ATOM 0 HG13 VAL A 144 -7.770 7.907 2.484 1.00 4.22 H new ATOM 0 HG21 VAL A 144 -6.530 5.102 2.136 1.00 72.02 H new ATOM 0 HG22 VAL A 144 -5.868 6.341 3.230 1.00 72.02 H new ATOM 0 HG23 VAL A 144 -6.294 4.732 3.861 1.00 72.02 H new ATOM 895 N GLY A 145 -9.699 8.100 5.803 1.00 73.31 N ATOM 896 CA GLY A 145 -11.038 8.542 6.146 1.00 62.15 C ATOM 897 C GLY A 145 -11.672 7.687 7.226 1.00 53.34 C ATOM 898 O GLY A 145 -11.283 7.760 8.390 1.00 32.24 O ATOM 0 H GLY A 145 -8.953 8.740 6.076 1.00 73.31 H new ATOM 0 HA2 GLY A 145 -11.000 9.578 6.483 1.00 62.15 H new ATOM 0 HA3 GLY A 145 -11.664 8.519 5.254 1.00 62.15 H new ATOM 902 N ASN A 146 -12.652 6.878 6.839 1.00 71.45 N ATOM 903 CA ASN A 146 -13.342 6.008 7.784 1.00 75.34 C ATOM 904 C ASN A 146 -13.018 4.541 7.511 1.00 40.43 C ATOM 905 O ASN A 146 -13.074 3.705 8.413 1.00 64.34 O ATOM 906 CB ASN A 146 -14.854 6.230 7.703 1.00 11.31 C ATOM 907 CG ASN A 146 -15.509 6.250 9.071 1.00 33.52 C ATOM 908 OD1 ASN A 146 -15.414 5.286 9.831 1.00 44.23 O ATOM 909 ND2 ASN A 146 -16.180 7.350 9.390 1.00 10.14 N ATOM 0 H ASN A 146 -12.986 6.807 5.878 1.00 71.45 H new ATOM 0 HA ASN A 146 -12.997 6.258 8.787 1.00 75.34 H new ATOM 0 HB2 ASN A 146 -15.053 7.173 7.194 1.00 11.31 H new ATOM 0 HB3 ASN A 146 -15.303 5.441 7.100 1.00 11.31 H new ATOM 0 HD21 ASN A 146 -16.643 7.420 10.296 1.00 10.14 H new ATOM 0 HD22 ASN A 146 -16.233 8.125 8.729 1.00 10.14 H new ATOM 916 N HIS A 147 -12.679 4.239 6.262 1.00 53.14 N ATOM 917 CA HIS A 147 -12.345 2.874 5.869 1.00 24.45 C ATOM 918 C HIS A 147 -11.062 2.411 6.555 1.00 75.13 C ATOM 919 O HIS A 147 -10.554 3.078 7.457 1.00 70.44 O ATOM 920 CB HIS A 147 -12.189 2.781 4.352 1.00 25.51 C ATOM 921 CG HIS A 147 -13.292 3.451 3.594 1.00 11.42 C ATOM 922 ND1 HIS A 147 -14.627 3.241 3.864 1.00 14.41 N ATOM 923 CD2 HIS A 147 -13.253 4.335 2.570 1.00 43.50 C ATOM 924 CE1 HIS A 147 -15.361 3.965 3.038 1.00 34.51 C ATOM 925 NE2 HIS A 147 -14.551 4.639 2.242 1.00 21.02 N ATOM 0 H HIS A 147 -12.628 4.920 5.505 1.00 53.14 H new ATOM 0 HA HIS A 147 -13.160 2.221 6.182 1.00 24.45 H new ATOM 0 HB2 HIS A 147 -11.238 3.229 4.065 1.00 25.51 H new ATOM 0 HB3 HIS A 147 -12.147 1.731 4.063 1.00 25.51 H new ATOM 0 HD2 HIS A 147 -12.365 4.729 2.098 1.00 43.50 H new ATOM 0 HE1 HIS A 147 -16.440 4.000 3.017 1.00 34.51 H new ATOM 0 HE2 HIS A 147 -14.842 5.280 1.504 1.00 21.02 H new ATOM 933 N ASP A 148 -10.546 1.267 6.120 1.00 21.33 N ATOM 934 CA ASP A 148 -9.323 0.715 6.691 1.00 24.45 C ATOM 935 C ASP A 148 -8.552 -0.090 5.650 1.00 22.33 C ATOM 936 O ASP A 148 -9.060 -1.076 5.113 1.00 54.14 O ATOM 937 CB ASP A 148 -9.651 -0.168 7.897 1.00 5.35 C ATOM 938 CG ASP A 148 -8.416 -0.536 8.697 1.00 11.32 C ATOM 939 OD1 ASP A 148 -7.583 0.361 8.949 1.00 61.34 O ATOM 940 OD2 ASP A 148 -8.282 -1.720 9.072 1.00 13.21 O ATOM 0 H ASP A 148 -10.955 0.704 5.374 1.00 21.33 H new ATOM 0 HA ASP A 148 -8.697 1.545 7.018 1.00 24.45 H new ATOM 0 HB2 ASP A 148 -10.358 0.352 8.543 1.00 5.35 H new ATOM 0 HB3 ASP A 148 -10.143 -1.078 7.554 1.00 5.35 H new ATOM 945 N CYS A 149 -7.326 0.335 5.369 1.00 13.42 N ATOM 946 CA CYS A 149 -6.486 -0.345 4.390 1.00 71.35 C ATOM 947 C CYS A 149 -5.029 -0.358 4.839 1.00 24.45 C ATOM 948 O CYS A 149 -4.628 0.424 5.701 1.00 4.22 O ATOM 949 CB CYS A 149 -6.606 0.333 3.025 1.00 64.51 C ATOM 950 SG CYS A 149 -6.934 2.109 3.109 1.00 2.23 S ATOM 0 H CYS A 149 -6.891 1.148 5.805 1.00 13.42 H new ATOM 0 HA CYS A 149 -6.830 -1.376 4.306 1.00 71.35 H new ATOM 0 HB2 CYS A 149 -5.683 0.171 2.468 1.00 64.51 H new ATOM 0 HB3 CYS A 149 -7.406 -0.147 2.462 1.00 64.51 H new ATOM 0 HG CYS A 149 -7.016 2.592 1.905 1.00 2.23 H new ATOM 956 N TYR A 150 -4.241 -1.251 4.251 1.00 61.51 N ATOM 957 CA TYR A 150 -2.829 -1.369 4.594 1.00 43.42 C ATOM 958 C TYR A 150 -2.043 -2.010 3.453 1.00 14.15 C ATOM 959 O TYR A 150 -2.579 -2.816 2.693 1.00 64.43 O ATOM 960 CB TYR A 150 -2.659 -2.193 5.871 1.00 62.04 C ATOM 961 CG TYR A 150 -2.924 -3.670 5.679 1.00 4.54 C ATOM 962 CD1 TYR A 150 -4.221 -4.154 5.571 1.00 55.33 C ATOM 963 CD2 TYR A 150 -1.877 -4.579 5.608 1.00 24.20 C ATOM 964 CE1 TYR A 150 -4.468 -5.502 5.396 1.00 54.31 C ATOM 965 CE2 TYR A 150 -2.113 -5.929 5.432 1.00 41.24 C ATOM 966 CZ TYR A 150 -3.411 -6.385 5.327 1.00 43.31 C ATOM 967 OH TYR A 150 -3.651 -7.728 5.153 1.00 61.55 O ATOM 0 H TYR A 150 -4.556 -1.904 3.534 1.00 61.51 H new ATOM 0 HA TYR A 150 -2.438 -0.366 4.763 1.00 43.42 H new ATOM 0 HB2 TYR A 150 -1.644 -2.060 6.247 1.00 62.04 H new ATOM 0 HB3 TYR A 150 -3.334 -1.808 6.635 1.00 62.04 H new ATOM 0 HD1 TYR A 150 -5.051 -3.465 5.625 1.00 55.33 H new ATOM 0 HD2 TYR A 150 -0.860 -4.225 5.692 1.00 24.20 H new ATOM 0 HE1 TYR A 150 -5.483 -5.862 5.314 1.00 54.31 H new ATOM 0 HE2 TYR A 150 -1.287 -6.623 5.377 1.00 41.24 H new ATOM 0 HH TYR A 150 -4.479 -7.849 4.642 1.00 61.55 H new ATOM 977 N ILE A 151 -0.770 -1.645 3.343 1.00 72.24 N ATOM 978 CA ILE A 151 0.090 -2.186 2.298 1.00 45.20 C ATOM 979 C ILE A 151 0.935 -3.342 2.824 1.00 53.42 C ATOM 980 O ILE A 151 1.816 -3.151 3.662 1.00 73.31 O ATOM 981 CB ILE A 151 1.024 -1.105 1.722 1.00 10.41 C ATOM 982 CG1 ILE A 151 0.304 -0.307 0.631 1.00 42.11 C ATOM 983 CG2 ILE A 151 2.293 -1.738 1.173 1.00 63.05 C ATOM 984 CD1 ILE A 151 0.945 1.032 0.340 1.00 15.23 C ATOM 0 H ILE A 151 -0.312 -0.978 3.964 1.00 72.24 H new ATOM 0 HA ILE A 151 -0.566 -2.549 1.507 1.00 45.20 H new ATOM 0 HB ILE A 151 1.301 -0.421 2.524 1.00 10.41 H new ATOM 0 HG12 ILE A 151 0.282 -0.897 -0.285 1.00 42.11 H new ATOM 0 HG13 ILE A 151 -0.731 -0.147 0.932 1.00 42.11 H new ATOM 0 HG21 ILE A 151 2.942 -0.961 0.770 1.00 63.05 H new ATOM 0 HG22 ILE A 151 2.812 -2.265 1.973 1.00 63.05 H new ATOM 0 HG23 ILE A 151 2.035 -2.442 0.382 1.00 63.05 H new ATOM 0 HD11 ILE A 151 0.383 1.542 -0.442 1.00 15.23 H new ATOM 0 HD12 ILE A 151 0.943 1.641 1.244 1.00 15.23 H new ATOM 0 HD13 ILE A 151 1.972 0.879 0.008 1.00 15.23 H new ATOM 996 N LYS A 152 0.661 -4.543 2.323 1.00 15.33 N ATOM 997 CA LYS A 152 1.395 -5.731 2.739 1.00 4.44 C ATOM 998 C LYS A 152 2.728 -5.832 2.003 1.00 52.23 C ATOM 999 O LYS A 152 2.775 -6.222 0.836 1.00 14.31 O ATOM 1000 CB LYS A 152 0.561 -6.988 2.482 1.00 2.34 C ATOM 1001 CG LYS A 152 0.470 -7.913 3.683 1.00 0.32 C ATOM 1002 CD LYS A 152 -0.773 -8.784 3.622 1.00 73.24 C ATOM 1003 CE LYS A 152 -0.703 -9.926 4.625 1.00 74.32 C ATOM 1004 NZ LYS A 152 -0.180 -11.176 4.007 1.00 54.20 N ATOM 0 H LYS A 152 -0.065 -4.718 1.628 1.00 15.33 H new ATOM 0 HA LYS A 152 1.595 -5.648 3.807 1.00 4.44 H new ATOM 0 HB2 LYS A 152 -0.445 -6.692 2.185 1.00 2.34 H new ATOM 0 HB3 LYS A 152 0.993 -7.535 1.644 1.00 2.34 H new ATOM 0 HG2 LYS A 152 1.357 -8.545 3.725 1.00 0.32 H new ATOM 0 HG3 LYS A 152 0.457 -7.322 4.599 1.00 0.32 H new ATOM 0 HD2 LYS A 152 -1.655 -8.176 3.822 1.00 73.24 H new ATOM 0 HD3 LYS A 152 -0.886 -9.188 2.616 1.00 73.24 H new ATOM 0 HE2 LYS A 152 -0.063 -9.638 5.459 1.00 74.32 H new ATOM 0 HE3 LYS A 152 -1.696 -10.111 5.034 1.00 74.32 H new ATOM 0 HZ1 LYS A 152 -0.148 -11.930 4.723 1.00 54.20 H new ATOM 0 HZ2 LYS A 152 -0.804 -11.465 3.227 1.00 54.20 H new ATOM 0 HZ3 LYS A 152 0.778 -11.007 3.639 1.00 54.20 H new ATOM 1018 N ALA A 153 3.808 -5.480 2.692 1.00 64.22 N ATOM 1019 CA ALA A 153 5.140 -5.535 2.104 1.00 64.12 C ATOM 1020 C ALA A 153 5.866 -6.816 2.504 1.00 54.04 C ATOM 1021 O ALA A 153 5.657 -7.343 3.597 1.00 43.32 O ATOM 1022 CB ALA A 153 5.951 -4.316 2.518 1.00 63.11 C ATOM 0 H ALA A 153 3.786 -5.154 3.658 1.00 64.22 H new ATOM 0 HA ALA A 153 5.031 -5.534 1.020 1.00 64.12 H new ATOM 0 HB1 ALA A 153 6.944 -4.371 2.071 1.00 63.11 H new ATOM 0 HB2 ALA A 153 5.448 -3.411 2.176 1.00 63.11 H new ATOM 0 HB3 ALA A 153 6.043 -4.292 3.604 1.00 63.11 H new ATOM 1028 N VAL A 154 6.716 -7.313 1.612 1.00 5.30 N ATOM 1029 CA VAL A 154 7.472 -8.531 1.873 1.00 63.43 C ATOM 1030 C VAL A 154 8.867 -8.456 1.262 1.00 11.43 C ATOM 1031 O VAL A 154 9.021 -8.171 0.075 1.00 2.35 O ATOM 1032 CB VAL A 154 6.748 -9.772 1.316 1.00 53.34 C ATOM 1033 CG1 VAL A 154 7.438 -11.047 1.776 1.00 2.41 C ATOM 1034 CG2 VAL A 154 5.285 -9.767 1.734 1.00 41.21 C ATOM 0 H VAL A 154 6.898 -6.890 0.702 1.00 5.30 H new ATOM 0 HA VAL A 154 7.557 -8.623 2.956 1.00 63.43 H new ATOM 0 HB VAL A 154 6.792 -9.738 0.227 1.00 53.34 H new ATOM 0 HG11 VAL A 154 6.911 -11.912 1.372 1.00 2.41 H new ATOM 0 HG12 VAL A 154 8.469 -11.051 1.421 1.00 2.41 H new ATOM 0 HG13 VAL A 154 7.429 -11.093 2.865 1.00 2.41 H new ATOM 0 HG21 VAL A 154 4.789 -10.650 1.332 1.00 41.21 H new ATOM 0 HG22 VAL A 154 5.217 -9.776 2.822 1.00 41.21 H new ATOM 0 HG23 VAL A 154 4.799 -8.871 1.348 1.00 41.21 H new ATOM 1044 N SER A 155 9.881 -8.711 2.083 1.00 33.11 N ATOM 1045 CA SER A 155 11.264 -8.667 1.626 1.00 64.35 C ATOM 1046 C SER A 155 11.766 -10.067 1.277 1.00 12.42 C ATOM 1047 O SER A 155 11.563 -11.016 2.033 1.00 42.12 O ATOM 1048 CB SER A 155 12.160 -8.046 2.698 1.00 10.20 C ATOM 1049 OG SER A 155 12.820 -9.046 3.455 1.00 61.23 O ATOM 0 H SER A 155 9.770 -8.950 3.068 1.00 33.11 H new ATOM 0 HA SER A 155 11.303 -8.050 0.728 1.00 64.35 H new ATOM 0 HB2 SER A 155 12.898 -7.396 2.228 1.00 10.20 H new ATOM 0 HB3 SER A 155 11.560 -7.421 3.360 1.00 10.20 H new ATOM 0 HG SER A 155 13.388 -8.622 4.132 1.00 61.23 H new ATOM 1055 N SER A 156 12.421 -10.183 0.126 1.00 24.15 N ATOM 1056 CA SER A 156 12.948 -11.466 -0.325 1.00 43.54 C ATOM 1057 C SER A 156 14.427 -11.348 -0.686 1.00 51.23 C ATOM 1058 O SER A 156 14.848 -10.380 -1.318 1.00 32.32 O ATOM 1059 CB SER A 156 12.155 -11.970 -1.533 1.00 24.20 C ATOM 1060 OG SER A 156 11.277 -10.971 -2.020 1.00 21.33 O ATOM 0 H SER A 156 12.599 -9.406 -0.510 1.00 24.15 H new ATOM 0 HA SER A 156 12.847 -12.181 0.491 1.00 43.54 H new ATOM 0 HB2 SER A 156 12.843 -12.271 -2.323 1.00 24.20 H new ATOM 0 HB3 SER A 156 11.584 -12.855 -1.253 1.00 24.20 H new ATOM 0 HG SER A 156 10.784 -11.318 -2.793 1.00 21.33 H new ATOM 1066 N GLY A 157 15.209 -12.343 -0.280 1.00 60.12 N ATOM 1067 CA GLY A 157 16.631 -12.334 -0.569 1.00 45.25 C ATOM 1068 C GLY A 157 17.470 -12.706 0.637 1.00 3.24 C ATOM 1069 O GLY A 157 16.938 -13.079 1.682 1.00 31.14 O ATOM 0 H GLY A 157 14.883 -13.155 0.244 1.00 60.12 H new ATOM 0 HA2 GLY A 157 16.838 -13.031 -1.381 1.00 45.25 H new ATOM 0 HA3 GLY A 157 16.921 -11.343 -0.918 1.00 45.25 H new ATOM 1073 N LYS A 158 18.787 -12.606 0.493 1.00 5.54 N ATOM 1074 CA LYS A 158 19.704 -12.935 1.579 1.00 33.14 C ATOM 1075 C LYS A 158 19.929 -11.729 2.486 1.00 54.33 C ATOM 1076 O LYS A 158 19.831 -11.833 3.708 1.00 31.32 O ATOM 1077 CB LYS A 158 21.042 -13.419 1.016 1.00 73.25 C ATOM 1078 CG LYS A 158 20.925 -14.667 0.157 1.00 10.21 C ATOM 1079 CD LYS A 158 21.962 -14.678 -0.953 1.00 25.42 C ATOM 1080 CE LYS A 158 21.492 -15.496 -2.146 1.00 21.11 C ATOM 1081 NZ LYS A 158 22.388 -16.655 -2.412 1.00 71.41 N ATOM 0 H LYS A 158 19.244 -12.299 -0.366 1.00 5.54 H new ATOM 0 HA LYS A 158 19.255 -13.733 2.170 1.00 33.14 H new ATOM 0 HB2 LYS A 158 21.487 -12.620 0.423 1.00 73.25 H new ATOM 0 HB3 LYS A 158 21.723 -13.620 1.843 1.00 73.25 H new ATOM 0 HG2 LYS A 158 21.049 -15.552 0.781 1.00 10.21 H new ATOM 0 HG3 LYS A 158 19.926 -14.719 -0.276 1.00 10.21 H new ATOM 0 HD2 LYS A 158 22.168 -13.656 -1.270 1.00 25.42 H new ATOM 0 HD3 LYS A 158 22.898 -15.089 -0.574 1.00 25.42 H new ATOM 0 HE2 LYS A 158 20.479 -15.855 -1.964 1.00 21.11 H new ATOM 0 HE3 LYS A 158 21.451 -14.859 -3.029 1.00 21.11 H new ATOM 0 HZ1 LYS A 158 22.033 -17.187 -3.232 1.00 71.41 H new ATOM 0 HZ2 LYS A 158 23.349 -16.312 -2.611 1.00 71.41 H new ATOM 0 HZ3 LYS A 158 22.408 -17.277 -1.579 1.00 71.41 H new ATOM 1095 N ARG A 159 20.227 -10.585 1.878 1.00 71.31 N ATOM 1096 CA ARG A 159 20.465 -9.359 2.631 1.00 52.04 C ATOM 1097 C ARG A 159 19.732 -8.181 1.996 1.00 3.14 C ATOM 1098 O ARG A 159 20.355 -7.275 1.441 1.00 21.30 O ATOM 1099 CB ARG A 159 21.963 -9.064 2.704 1.00 4.53 C ATOM 1100 CG ARG A 159 22.794 -10.239 3.193 1.00 13.31 C ATOM 1101 CD ARG A 159 24.209 -9.812 3.550 1.00 1.21 C ATOM 1102 NE ARG A 159 25.082 -9.776 2.379 1.00 52.50 N ATOM 1103 CZ ARG A 159 26.350 -9.384 2.420 1.00 53.32 C ATOM 1104 NH1 ARG A 159 26.892 -8.997 3.567 1.00 51.50 N ATOM 1105 NH2 ARG A 159 27.080 -9.379 1.312 1.00 42.41 N ATOM 0 H ARG A 159 20.309 -10.482 0.867 1.00 71.31 H new ATOM 0 HA ARG A 159 20.081 -9.501 3.641 1.00 52.04 H new ATOM 0 HB2 ARG A 159 22.315 -8.768 1.716 1.00 4.53 H new ATOM 0 HB3 ARG A 159 22.125 -8.215 3.368 1.00 4.53 H new ATOM 0 HG2 ARG A 159 22.317 -10.685 4.065 1.00 13.31 H new ATOM 0 HG3 ARG A 159 22.829 -11.007 2.421 1.00 13.31 H new ATOM 0 HD2 ARG A 159 24.184 -8.826 4.014 1.00 1.21 H new ATOM 0 HD3 ARG A 159 24.620 -10.501 4.288 1.00 1.21 H new ATOM 0 HE ARG A 159 24.696 -10.068 1.481 1.00 52.50 H new ATOM 0 HH11 ARG A 159 26.334 -9.000 4.421 1.00 51.50 H new ATOM 0 HH12 ARG A 159 27.866 -8.697 3.595 1.00 51.50 H new ATOM 0 HH21 ARG A 159 26.667 -9.676 0.428 1.00 42.41 H new ATOM 0 HH22 ARG A 159 28.054 -9.078 1.344 1.00 42.41 H new ATOM 1119 N LYS A 160 18.407 -8.199 2.082 1.00 61.22 N ATOM 1120 CA LYS A 160 17.588 -7.132 1.517 1.00 44.13 C ATOM 1121 C LYS A 160 17.841 -6.987 0.019 1.00 61.52 C ATOM 1122 O LYS A 160 18.266 -5.932 -0.448 1.00 3.10 O ATOM 1123 CB LYS A 160 17.881 -5.807 2.224 1.00 23.44 C ATOM 1124 CG LYS A 160 17.540 -5.820 3.704 1.00 55.33 C ATOM 1125 CD LYS A 160 18.430 -4.872 4.490 1.00 61.42 C ATOM 1126 CE LYS A 160 18.318 -5.115 5.988 1.00 73.52 C ATOM 1127 NZ LYS A 160 19.034 -6.353 6.404 1.00 22.41 N ATOM 0 H LYS A 160 17.876 -8.941 2.538 1.00 61.22 H new ATOM 0 HA LYS A 160 16.541 -7.394 1.668 1.00 44.13 H new ATOM 0 HB2 LYS A 160 18.938 -5.567 2.105 1.00 23.44 H new ATOM 0 HB3 LYS A 160 17.317 -5.012 1.737 1.00 23.44 H new ATOM 0 HG2 LYS A 160 16.496 -5.537 3.840 1.00 55.33 H new ATOM 0 HG3 LYS A 160 17.650 -6.832 4.095 1.00 55.33 H new ATOM 0 HD2 LYS A 160 19.466 -5.000 4.176 1.00 61.42 H new ATOM 0 HD3 LYS A 160 18.154 -3.842 4.266 1.00 61.42 H new ATOM 0 HE2 LYS A 160 18.728 -4.260 6.526 1.00 73.52 H new ATOM 0 HE3 LYS A 160 17.267 -5.193 6.266 1.00 73.52 H new ATOM 0 HZ1 LYS A 160 19.065 -6.404 7.442 1.00 22.41 H new ATOM 0 HZ2 LYS A 160 18.534 -7.185 6.032 1.00 22.41 H new ATOM 0 HZ3 LYS A 160 20.004 -6.336 6.029 1.00 22.41 H new ATOM 1141 N GLU A 161 17.574 -8.055 -0.727 1.00 5.41 N ATOM 1142 CA GLU A 161 17.773 -8.045 -2.172 1.00 21.12 C ATOM 1143 C GLU A 161 16.636 -7.306 -2.872 1.00 5.34 C ATOM 1144 O GLU A 161 16.845 -6.256 -3.480 1.00 64.44 O ATOM 1145 CB GLU A 161 17.870 -9.475 -2.705 1.00 61.23 C ATOM 1146 CG GLU A 161 19.002 -10.280 -2.088 1.00 72.11 C ATOM 1147 CD GLU A 161 20.369 -9.802 -2.534 1.00 43.50 C ATOM 1148 OE1 GLU A 161 20.475 -9.272 -3.660 1.00 40.02 O ATOM 1149 OE2 GLU A 161 21.334 -9.956 -1.757 1.00 23.42 O ATOM 0 H GLU A 161 17.220 -8.936 -0.355 1.00 5.41 H new ATOM 0 HA GLU A 161 18.707 -7.523 -2.381 1.00 21.12 H new ATOM 0 HB2 GLU A 161 16.927 -9.988 -2.518 1.00 61.23 H new ATOM 0 HB3 GLU A 161 18.006 -9.442 -3.786 1.00 61.23 H new ATOM 0 HG2 GLU A 161 18.936 -10.218 -1.002 1.00 72.11 H new ATOM 0 HG3 GLU A 161 18.884 -11.330 -2.355 1.00 72.11 H new ATOM 1156 N GLY A 162 15.432 -7.861 -2.781 1.00 14.14 N ATOM 1157 CA GLY A 162 14.280 -7.242 -3.410 1.00 72.21 C ATOM 1158 C GLY A 162 13.056 -7.251 -2.516 1.00 10.44 C ATOM 1159 O GLY A 162 12.845 -8.193 -1.751 1.00 53.50 O ATOM 0 H GLY A 162 15.233 -8.729 -2.283 1.00 14.14 H new ATOM 0 HA2 GLY A 162 14.524 -6.214 -3.676 1.00 72.21 H new ATOM 0 HA3 GLY A 162 14.052 -7.766 -4.338 1.00 72.21 H new ATOM 1163 N ILE A 163 12.249 -6.199 -2.609 1.00 51.33 N ATOM 1164 CA ILE A 163 11.041 -6.089 -1.802 1.00 31.41 C ATOM 1165 C ILE A 163 9.818 -5.830 -2.675 1.00 12.43 C ATOM 1166 O ILE A 163 9.896 -5.113 -3.673 1.00 61.04 O ATOM 1167 CB ILE A 163 11.162 -4.963 -0.758 1.00 34.21 C ATOM 1168 CG1 ILE A 163 12.359 -5.216 0.161 1.00 11.42 C ATOM 1169 CG2 ILE A 163 9.878 -4.853 0.052 1.00 3.32 C ATOM 1170 CD1 ILE A 163 12.585 -4.115 1.174 1.00 54.32 C ATOM 0 H ILE A 163 12.411 -5.411 -3.236 1.00 51.33 H new ATOM 0 HA ILE A 163 10.919 -7.041 -1.285 1.00 31.41 H new ATOM 0 HB ILE A 163 11.322 -4.019 -1.279 1.00 34.21 H new ATOM 0 HG12 ILE A 163 12.210 -6.159 0.688 1.00 11.42 H new ATOM 0 HG13 ILE A 163 13.256 -5.329 -0.447 1.00 11.42 H new ATOM 0 HG21 ILE A 163 9.978 -4.053 0.786 1.00 3.32 H new ATOM 0 HG22 ILE A 163 9.045 -4.631 -0.615 1.00 3.32 H new ATOM 0 HG23 ILE A 163 9.690 -5.796 0.566 1.00 3.32 H new ATOM 0 HD11 ILE A 163 13.449 -4.360 1.791 1.00 54.32 H new ATOM 0 HD12 ILE A 163 12.766 -3.174 0.654 1.00 54.32 H new ATOM 0 HD13 ILE A 163 11.703 -4.016 1.807 1.00 54.32 H new ATOM 1182 N ILE A 164 8.689 -6.416 -2.290 1.00 53.55 N ATOM 1183 CA ILE A 164 7.448 -6.245 -3.036 1.00 51.53 C ATOM 1184 C ILE A 164 6.310 -5.811 -2.118 1.00 43.22 C ATOM 1185 O ILE A 164 6.108 -6.386 -1.048 1.00 75.22 O ATOM 1186 CB ILE A 164 7.043 -7.543 -3.759 1.00 22.13 C ATOM 1187 CG1 ILE A 164 8.161 -8.000 -4.699 1.00 12.42 C ATOM 1188 CG2 ILE A 164 5.747 -7.338 -4.530 1.00 5.41 C ATOM 1189 CD1 ILE A 164 8.021 -9.436 -5.151 1.00 50.41 C ATOM 0 H ILE A 164 8.608 -7.013 -1.467 1.00 53.55 H new ATOM 0 HA ILE A 164 7.630 -5.467 -3.778 1.00 51.53 H new ATOM 0 HB ILE A 164 6.880 -8.321 -3.013 1.00 22.13 H new ATOM 0 HG12 ILE A 164 8.176 -7.352 -5.575 1.00 12.42 H new ATOM 0 HG13 ILE A 164 9.120 -7.878 -4.196 1.00 12.42 H new ATOM 0 HG21 ILE A 164 5.474 -8.264 -5.036 1.00 5.41 H new ATOM 0 HG22 ILE A 164 4.953 -7.054 -3.839 1.00 5.41 H new ATOM 0 HG23 ILE A 164 5.884 -6.548 -5.269 1.00 5.41 H new ATOM 0 HD11 ILE A 164 8.848 -9.691 -5.814 1.00 50.41 H new ATOM 0 HD12 ILE A 164 8.037 -10.094 -4.282 1.00 50.41 H new ATOM 0 HD13 ILE A 164 7.078 -9.560 -5.683 1.00 50.41 H new ATOM 1201 N HIS A 165 5.568 -4.794 -2.545 1.00 43.15 N ATOM 1202 CA HIS A 165 4.448 -4.284 -1.763 1.00 2.41 C ATOM 1203 C HIS A 165 3.118 -4.685 -2.393 1.00 52.21 C ATOM 1204 O HIS A 165 2.972 -4.685 -3.616 1.00 22.23 O ATOM 1205 CB HIS A 165 4.531 -2.762 -1.646 1.00 12.22 C ATOM 1206 CG HIS A 165 5.920 -2.254 -1.405 1.00 41.23 C ATOM 1207 ND1 HIS A 165 6.606 -2.064 -0.254 1.00 34.34 N flip ATOM 1208 CD2 HIS A 165 6.769 -1.874 -2.424 1.00 52.22 C flip ATOM 1209 CE1 HIS A 165 7.845 -1.578 -0.595 1.00 10.54 C flip ATOM 1210 NE2 HIS A 165 7.918 -1.474 -1.909 1.00 32.33 N flip ATOM 0 H HIS A 165 5.722 -4.307 -3.428 1.00 43.15 H new ATOM 0 HA HIS A 165 4.505 -4.721 -0.766 1.00 2.41 H new ATOM 0 HB2 HIS A 165 4.143 -2.314 -2.561 1.00 12.22 H new ATOM 0 HB3 HIS A 165 3.886 -2.433 -0.831 1.00 12.22 H new ATOM 0 HD2 HIS A 165 6.532 -1.900 -3.477 1.00 52.22 H new ATOM 0 HE1 HIS A 165 8.632 -1.322 0.099 1.00 10.54 H new ATOM 0 HE2 HIS A 165 8.725 -1.141 -2.437 1.00 32.33 H new ATOM 1218 N THR A 166 2.148 -5.028 -1.550 1.00 4.41 N ATOM 1219 CA THR A 166 0.832 -5.433 -2.025 1.00 74.41 C ATOM 1220 C THR A 166 -0.274 -4.735 -1.241 1.00 12.31 C ATOM 1221 O THR A 166 -0.534 -5.067 -0.083 1.00 74.24 O ATOM 1222 CB THR A 166 0.639 -6.958 -1.913 1.00 51.34 C ATOM 1223 OG1 THR A 166 1.696 -7.530 -1.135 1.00 13.20 O ATOM 1224 CG2 THR A 166 0.613 -7.601 -3.292 1.00 54.21 C ATOM 0 H THR A 166 2.250 -5.033 -0.535 1.00 4.41 H new ATOM 0 HA THR A 166 0.771 -5.142 -3.074 1.00 74.41 H new ATOM 0 HB THR A 166 -0.316 -7.147 -1.422 1.00 51.34 H new ATOM 0 HG1 THR A 166 1.770 -7.053 -0.282 1.00 13.20 H new ATOM 0 HG21 THR A 166 0.476 -8.677 -3.189 1.00 54.21 H new ATOM 0 HG22 THR A 166 -0.210 -7.184 -3.872 1.00 54.21 H new ATOM 0 HG23 THR A 166 1.555 -7.403 -3.804 1.00 54.21 H new ATOM 1232 N LEU A 167 -0.923 -3.766 -1.878 1.00 63.53 N ATOM 1233 CA LEU A 167 -2.003 -3.021 -1.239 1.00 44.35 C ATOM 1234 C LEU A 167 -3.188 -3.932 -0.938 1.00 11.53 C ATOM 1235 O LEU A 167 -3.590 -4.741 -1.774 1.00 33.35 O ATOM 1236 CB LEU A 167 -2.448 -1.864 -2.135 1.00 53.54 C ATOM 1237 CG LEU A 167 -3.734 -1.149 -1.718 1.00 51.52 C ATOM 1238 CD1 LEU A 167 -3.659 -0.724 -0.260 1.00 72.33 C ATOM 1239 CD2 LEU A 167 -3.989 0.055 -2.613 1.00 4.31 C ATOM 0 H LEU A 167 -0.721 -3.478 -2.835 1.00 63.53 H new ATOM 0 HA LEU A 167 -1.629 -2.620 -0.297 1.00 44.35 H new ATOM 0 HB2 LEU A 167 -1.643 -1.130 -2.173 1.00 53.54 H new ATOM 0 HB3 LEU A 167 -2.580 -2.245 -3.148 1.00 53.54 H new ATOM 0 HG LEU A 167 -4.566 -1.844 -1.831 1.00 51.52 H new ATOM 0 HD11 LEU A 167 -4.583 -0.217 0.019 1.00 72.33 H new ATOM 0 HD12 LEU A 167 -3.524 -1.604 0.369 1.00 72.33 H new ATOM 0 HD13 LEU A 167 -2.817 -0.046 -0.121 1.00 72.33 H new ATOM 0 HD21 LEU A 167 -4.908 0.552 -2.302 1.00 4.31 H new ATOM 0 HD22 LEU A 167 -3.155 0.752 -2.532 1.00 4.31 H new ATOM 0 HD23 LEU A 167 -4.087 -0.275 -3.647 1.00 4.31 H new ATOM 1251 N ILE A 168 -3.744 -3.790 0.261 1.00 34.21 N ATOM 1252 CA ILE A 168 -4.887 -4.597 0.672 1.00 64.33 C ATOM 1253 C ILE A 168 -5.919 -3.754 1.413 1.00 64.13 C ATOM 1254 O ILE A 168 -5.637 -3.204 2.478 1.00 31.24 O ATOM 1255 CB ILE A 168 -4.453 -5.768 1.574 1.00 0.31 C ATOM 1256 CG1 ILE A 168 -3.368 -6.598 0.885 1.00 43.00 C ATOM 1257 CG2 ILE A 168 -5.650 -6.639 1.925 1.00 52.41 C ATOM 1258 CD1 ILE A 168 -3.096 -7.922 1.564 1.00 31.02 C ATOM 0 H ILE A 168 -3.422 -3.125 0.964 1.00 34.21 H new ATOM 0 HA ILE A 168 -5.335 -4.996 -0.238 1.00 64.33 H new ATOM 0 HB ILE A 168 -4.041 -5.361 2.497 1.00 0.31 H new ATOM 0 HG12 ILE A 168 -3.664 -6.783 -0.148 1.00 43.00 H new ATOM 0 HG13 ILE A 168 -2.445 -6.019 0.853 1.00 43.00 H new ATOM 0 HG21 ILE A 168 -5.327 -7.462 2.563 1.00 52.41 H new ATOM 0 HG22 ILE A 168 -6.393 -6.041 2.453 1.00 52.41 H new ATOM 0 HG23 ILE A 168 -6.089 -7.039 1.011 1.00 52.41 H new ATOM 0 HD11 ILE A 168 -2.316 -8.456 1.021 1.00 31.02 H new ATOM 0 HD12 ILE A 168 -2.769 -7.745 2.589 1.00 31.02 H new ATOM 0 HD13 ILE A 168 -4.007 -8.520 1.572 1.00 31.02 H new ATOM 1270 N VAL A 169 -7.115 -3.657 0.843 1.00 72.52 N ATOM 1271 CA VAL A 169 -8.191 -2.883 1.451 1.00 44.12 C ATOM 1272 C VAL A 169 -9.393 -3.765 1.765 1.00 34.52 C ATOM 1273 O VAL A 169 -9.899 -4.477 0.898 1.00 44.32 O ATOM 1274 CB VAL A 169 -8.641 -1.730 0.532 1.00 24.35 C ATOM 1275 CG1 VAL A 169 -9.604 -0.810 1.265 1.00 54.43 C ATOM 1276 CG2 VAL A 169 -7.436 -0.956 0.022 1.00 42.35 C ATOM 0 H VAL A 169 -7.364 -4.105 -0.039 1.00 72.52 H new ATOM 0 HA VAL A 169 -7.797 -2.467 2.378 1.00 44.12 H new ATOM 0 HB VAL A 169 -9.162 -2.153 -0.327 1.00 24.35 H new ATOM 0 HG11 VAL A 169 -9.911 -0.002 0.601 1.00 54.43 H new ATOM 0 HG12 VAL A 169 -10.481 -1.376 1.578 1.00 54.43 H new ATOM 0 HG13 VAL A 169 -9.111 -0.391 2.142 1.00 54.43 H new ATOM 0 HG21 VAL A 169 -7.771 -0.146 -0.625 1.00 42.35 H new ATOM 0 HG22 VAL A 169 -6.886 -0.542 0.867 1.00 42.35 H new ATOM 0 HG23 VAL A 169 -6.786 -1.625 -0.542 1.00 42.35 H new ATOM 1286 N ASP A 170 -9.846 -3.715 3.014 1.00 73.12 N ATOM 1287 CA ASP A 170 -10.991 -4.509 3.443 1.00 32.05 C ATOM 1288 C ASP A 170 -10.686 -6.000 3.346 1.00 64.11 C ATOM 1289 O ASP A 170 -11.561 -6.803 3.024 1.00 43.54 O ATOM 1290 CB ASP A 170 -12.221 -4.170 2.598 1.00 25.45 C ATOM 1291 CG ASP A 170 -13.483 -4.063 3.431 1.00 43.23 C ATOM 1292 OD1 ASP A 170 -13.537 -4.686 4.512 1.00 63.23 O ATOM 1293 OD2 ASP A 170 -14.417 -3.355 3.002 1.00 54.30 O ATOM 0 H ASP A 170 -9.438 -3.133 3.746 1.00 73.12 H new ATOM 0 HA ASP A 170 -11.199 -4.267 4.485 1.00 32.05 H new ATOM 0 HB2 ASP A 170 -12.052 -3.228 2.077 1.00 25.45 H new ATOM 0 HB3 ASP A 170 -12.357 -4.936 1.835 1.00 25.45 H new ATOM 1298 N ASN A 171 -9.438 -6.364 3.625 1.00 14.52 N ATOM 1299 CA ASN A 171 -9.016 -7.759 3.566 1.00 52.52 C ATOM 1300 C ASN A 171 -9.131 -8.302 2.145 1.00 41.51 C ATOM 1301 O ASN A 171 -9.593 -9.423 1.933 1.00 4.02 O ATOM 1302 CB ASN A 171 -9.861 -8.608 4.518 1.00 2.21 C ATOM 1303 CG ASN A 171 -9.042 -9.674 5.221 1.00 51.13 C ATOM 1304 OD1 ASN A 171 -9.205 -10.867 4.964 1.00 44.32 O ATOM 1305 ND2 ASN A 171 -8.157 -9.247 6.114 1.00 31.00 N ATOM 0 H ASN A 171 -8.701 -5.712 3.894 1.00 14.52 H new ATOM 0 HA ASN A 171 -7.971 -7.811 3.872 1.00 52.52 H new ATOM 0 HB2 ASN A 171 -10.326 -7.961 5.262 1.00 2.21 H new ATOM 0 HB3 ASN A 171 -10.668 -9.083 3.959 1.00 2.21 H new ATOM 0 HD21 ASN A 171 -7.578 -9.918 6.619 1.00 31.00 H new ATOM 0 HD22 ASN A 171 -8.056 -8.248 6.295 1.00 31.00 H new ATOM 1312 N ARG A 172 -8.705 -7.499 1.175 1.00 60.41 N ATOM 1313 CA ARG A 172 -8.760 -7.899 -0.226 1.00 70.12 C ATOM 1314 C ARG A 172 -7.514 -7.432 -0.973 1.00 62.12 C ATOM 1315 O ARG A 172 -7.136 -6.264 -0.899 1.00 23.10 O ATOM 1316 CB ARG A 172 -10.011 -7.327 -0.894 1.00 15.14 C ATOM 1317 CG ARG A 172 -11.288 -8.071 -0.533 1.00 5.21 C ATOM 1318 CD ARG A 172 -12.475 -7.559 -1.334 1.00 72.20 C ATOM 1319 NE ARG A 172 -13.724 -7.658 -0.583 1.00 73.20 N ATOM 1320 CZ ARG A 172 -14.829 -6.993 -0.904 1.00 71.54 C ATOM 1321 NH1 ARG A 172 -14.839 -6.188 -1.957 1.00 15.12 N ATOM 1322 NH2 ARG A 172 -15.927 -7.136 -0.172 1.00 40.31 N ATOM 0 H ARG A 172 -8.318 -6.569 1.334 1.00 60.41 H new ATOM 0 HA ARG A 172 -8.801 -8.988 -0.265 1.00 70.12 H new ATOM 0 HB2 ARG A 172 -10.118 -6.280 -0.610 1.00 15.14 H new ATOM 0 HB3 ARG A 172 -9.879 -7.352 -1.976 1.00 15.14 H new ATOM 0 HG2 ARG A 172 -11.155 -9.137 -0.719 1.00 5.21 H new ATOM 0 HG3 ARG A 172 -11.489 -7.956 0.532 1.00 5.21 H new ATOM 0 HD2 ARG A 172 -12.302 -6.520 -1.615 1.00 72.20 H new ATOM 0 HD3 ARG A 172 -12.562 -8.129 -2.259 1.00 72.20 H new ATOM 0 HE ARG A 172 -13.749 -8.271 0.232 1.00 73.20 H new ATOM 0 HH11 ARG A 172 -13.997 -6.078 -2.523 1.00 15.12 H new ATOM 0 HH12 ARG A 172 -15.688 -5.679 -2.202 1.00 15.12 H new ATOM 0 HH21 ARG A 172 -15.923 -7.757 0.637 1.00 40.31 H new ATOM 0 HH22 ARG A 172 -16.775 -6.625 -0.419 1.00 40.31 H new ATOM 1336 N GLU A 173 -6.882 -8.354 -1.693 1.00 23.04 N ATOM 1337 CA GLU A 173 -5.678 -8.037 -2.452 1.00 44.11 C ATOM 1338 C GLU A 173 -5.975 -7.003 -3.535 1.00 4.32 C ATOM 1339 O GLU A 173 -7.065 -6.981 -4.106 1.00 73.30 O ATOM 1340 CB GLU A 173 -5.099 -9.304 -3.087 1.00 1.31 C ATOM 1341 CG GLU A 173 -3.592 -9.259 -3.267 1.00 4.14 C ATOM 1342 CD GLU A 173 -2.917 -10.554 -2.859 1.00 61.30 C ATOM 1343 OE1 GLU A 173 -2.839 -10.824 -1.642 1.00 30.53 O ATOM 1344 OE2 GLU A 173 -2.468 -11.298 -3.755 1.00 43.10 O ATOM 0 H GLU A 173 -7.184 -9.326 -1.766 1.00 23.04 H new ATOM 0 HA GLU A 173 -4.945 -7.617 -1.763 1.00 44.11 H new ATOM 0 HB2 GLU A 173 -5.357 -10.162 -2.466 1.00 1.31 H new ATOM 0 HB3 GLU A 173 -5.568 -9.461 -4.058 1.00 1.31 H new ATOM 0 HG2 GLU A 173 -3.361 -9.046 -4.311 1.00 4.14 H new ATOM 0 HG3 GLU A 173 -3.184 -8.439 -2.676 1.00 4.14 H new ATOM 1351 N ILE A 174 -4.996 -6.147 -3.811 1.00 52.41 N ATOM 1352 CA ILE A 174 -5.152 -5.111 -4.824 1.00 3.21 C ATOM 1353 C ILE A 174 -4.070 -5.220 -5.893 1.00 5.13 C ATOM 1354 O ILE A 174 -2.879 -5.324 -5.597 1.00 51.22 O ATOM 1355 CB ILE A 174 -5.103 -3.703 -4.202 1.00 33.13 C ATOM 1356 CG1 ILE A 174 -6.260 -3.515 -3.219 1.00 33.51 C ATOM 1357 CG2 ILE A 174 -5.149 -2.640 -5.291 1.00 21.34 C ATOM 1358 CD1 ILE A 174 -7.211 -2.405 -3.608 1.00 21.51 C ATOM 0 H ILE A 174 -4.087 -6.151 -3.347 1.00 52.41 H new ATOM 0 HA ILE A 174 -6.129 -5.263 -5.282 1.00 3.21 H new ATOM 0 HB ILE A 174 -4.166 -3.596 -3.656 1.00 33.13 H new ATOM 0 HG12 ILE A 174 -6.817 -4.449 -3.143 1.00 33.51 H new ATOM 0 HG13 ILE A 174 -5.854 -3.304 -2.229 1.00 33.51 H new ATOM 0 HG21 ILE A 174 -5.114 -1.650 -4.835 1.00 21.34 H new ATOM 0 HG22 ILE A 174 -4.295 -2.764 -5.957 1.00 21.34 H new ATOM 0 HG23 ILE A 174 -6.072 -2.744 -5.862 1.00 21.34 H new ATOM 0 HD11 ILE A 174 -8.006 -2.330 -2.866 1.00 21.51 H new ATOM 0 HD12 ILE A 174 -6.668 -1.461 -3.656 1.00 21.51 H new ATOM 0 HD13 ILE A 174 -7.646 -2.623 -4.584 1.00 21.51 H new ATOM 1370 N PRO A 175 -4.491 -5.195 -7.166 1.00 3.41 N ATOM 1371 CA PRO A 175 -3.572 -5.287 -8.305 1.00 14.32 C ATOM 1372 C PRO A 175 -2.715 -4.037 -8.461 1.00 4.32 C ATOM 1373 O PRO A 175 -3.199 -2.917 -8.301 1.00 12.12 O ATOM 1374 CB PRO A 175 -4.510 -5.446 -9.504 1.00 43.41 C ATOM 1375 CG PRO A 175 -5.790 -4.818 -9.070 1.00 71.03 C ATOM 1376 CD PRO A 175 -5.895 -5.074 -7.592 1.00 5.33 C ATOM 0 HA PRO A 175 -2.861 -6.105 -8.191 1.00 14.32 H new ATOM 0 HB2 PRO A 175 -4.108 -4.954 -10.389 1.00 43.41 H new ATOM 0 HB3 PRO A 175 -4.651 -6.496 -9.760 1.00 43.41 H new ATOM 0 HG2 PRO A 175 -5.792 -3.749 -9.282 1.00 71.03 H new ATOM 0 HG3 PRO A 175 -6.637 -5.250 -9.602 1.00 71.03 H new ATOM 0 HD2 PRO A 175 -6.402 -4.257 -7.078 1.00 5.33 H new ATOM 0 HD3 PRO A 175 -6.459 -5.983 -7.381 1.00 5.33 H new ATOM 1384 N GLU A 176 -1.438 -4.236 -8.775 1.00 45.42 N ATOM 1385 CA GLU A 176 -0.513 -3.122 -8.952 1.00 64.15 C ATOM 1386 C GLU A 176 -0.526 -2.628 -10.395 1.00 54.44 C ATOM 1387 O GLU A 176 -0.833 -3.382 -11.320 1.00 32.12 O ATOM 1388 CB GLU A 176 0.905 -3.540 -8.558 1.00 60.32 C ATOM 1389 CG GLU A 176 1.771 -2.386 -8.084 1.00 15.35 C ATOM 1390 CD GLU A 176 3.251 -2.641 -8.292 1.00 40.32 C ATOM 1391 OE1 GLU A 176 3.664 -3.817 -8.224 1.00 73.43 O ATOM 1392 OE2 GLU A 176 3.995 -1.665 -8.523 1.00 72.34 O ATOM 0 H GLU A 176 -1.021 -5.157 -8.912 1.00 45.42 H new ATOM 0 HA GLU A 176 -0.838 -2.308 -8.304 1.00 64.15 H new ATOM 0 HB2 GLU A 176 0.847 -4.288 -7.768 1.00 60.32 H new ATOM 0 HB3 GLU A 176 1.385 -4.016 -9.413 1.00 60.32 H new ATOM 0 HG2 GLU A 176 1.484 -1.479 -8.617 1.00 15.35 H new ATOM 0 HG3 GLU A 176 1.583 -2.207 -7.025 1.00 15.35 H new