USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 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 122 CYS SG : rot 130:sc= -2.26 USER MOD Set 1.2: A 127 MET CE :methyl -116:sc= -2.6 (180deg=-9.74!) USER MOD Single : A 96 THR OG1 : rot -29:sc= 0.00571 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.685 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 118 MET CE :methyl -132:sc= 0 (180deg=-0.899) USER MOD Single : A 123 ASN :FLIP amide:sc= -1.82 F(o=-2.5!,f=-1.8) USER MOD Single : A 125 GLN : amide:sc=-0.00185 X(o=-0.0019,f=-0.095) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot 89:sc= -0.576 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 56:sc= -0.0384 USER MOD Single : A 141 HIS :FLIP no HD1:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 147 HIS : no HD1:sc= -0.0894 X(o=-0.089,f=-0.1) USER MOD Single : A 149 CYS SG : rot 103:sc= 0.306 USER MOD Single : A 150 TYR OH : rot 180:sc= -0.0135 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 -3:sc= 1.01 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 HIS :FLIP no HD1:sc= -1.23 F(o=-2.2,f=-1.2) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 11.040 1.026 -9.169 1.00 1.42 N ATOM 146 CA THR A 96 11.155 1.305 -7.744 1.00 22.05 C ATOM 147 C THR A 96 9.944 2.079 -7.235 1.00 12.24 C ATOM 148 O THR A 96 10.068 2.956 -6.380 1.00 42.42 O ATOM 149 CB THR A 96 12.432 2.109 -7.430 1.00 21.44 C ATOM 150 OG1 THR A 96 12.349 3.411 -8.020 1.00 31.54 O ATOM 151 CG2 THR A 96 13.666 1.388 -7.951 1.00 50.42 C ATOM 0 HA THR A 96 11.206 0.341 -7.237 1.00 22.05 H new ATOM 0 HB THR A 96 12.517 2.206 -6.348 1.00 21.44 H new ATOM 0 HG1 THR A 96 11.793 3.370 -8.826 1.00 31.54 H new ATOM 0 HG21 THR A 96 14.555 1.974 -7.718 1.00 50.42 H new ATOM 0 HG22 THR A 96 13.742 0.409 -7.478 1.00 50.42 H new ATOM 0 HG23 THR A 96 13.586 1.264 -9.031 1.00 50.42 H new ATOM 159 N THR A 97 8.771 1.748 -7.765 1.00 15.24 N ATOM 160 CA THR A 97 7.536 2.412 -7.365 1.00 65.42 C ATOM 161 C THR A 97 6.319 1.560 -7.705 1.00 21.32 C ATOM 162 O THR A 97 6.159 1.114 -8.841 1.00 33.43 O ATOM 163 CB THR A 97 7.393 3.786 -8.045 1.00 15.04 C ATOM 164 OG1 THR A 97 7.963 3.747 -9.357 1.00 63.24 O ATOM 165 CG2 THR A 97 8.074 4.871 -7.223 1.00 55.00 C ATOM 0 H THR A 97 8.650 1.024 -8.473 1.00 15.24 H new ATOM 0 HA THR A 97 7.587 2.552 -6.285 1.00 65.42 H new ATOM 0 HB THR A 97 6.331 4.020 -8.118 1.00 15.04 H new ATOM 0 HG1 THR A 97 7.866 4.625 -9.782 1.00 63.24 H new ATOM 0 HG21 THR A 97 7.960 5.832 -7.724 1.00 55.00 H new ATOM 0 HG22 THR A 97 7.617 4.920 -6.235 1.00 55.00 H new ATOM 0 HG23 THR A 97 9.134 4.639 -7.121 1.00 55.00 H new ATOM 173 N SER A 98 5.463 1.338 -6.713 1.00 13.33 N ATOM 174 CA SER A 98 4.260 0.537 -6.906 1.00 33.04 C ATOM 175 C SER A 98 3.018 1.422 -6.948 1.00 12.00 C ATOM 176 O SER A 98 2.972 2.479 -6.317 1.00 50.03 O ATOM 177 CB SER A 98 4.125 -0.497 -5.786 1.00 44.31 C ATOM 178 OG SER A 98 4.727 -1.727 -6.153 1.00 10.04 O ATOM 0 H SER A 98 5.580 1.702 -5.767 1.00 13.33 H new ATOM 0 HA SER A 98 4.348 0.019 -7.861 1.00 33.04 H new ATOM 0 HB2 SER A 98 4.592 -0.117 -4.877 1.00 44.31 H new ATOM 0 HB3 SER A 98 3.071 -0.657 -5.560 1.00 44.31 H new ATOM 0 HG SER A 98 4.629 -2.371 -5.421 1.00 10.04 H new ATOM 184 N THR A 99 2.011 0.983 -7.697 1.00 22.35 N ATOM 185 CA THR A 99 0.769 1.735 -7.823 1.00 75.34 C ATOM 186 C THR A 99 -0.443 0.812 -7.737 1.00 41.20 C ATOM 187 O THR A 99 -0.455 -0.268 -8.326 1.00 14.22 O ATOM 188 CB THR A 99 0.714 2.510 -9.153 1.00 3.23 C ATOM 189 OG1 THR A 99 1.840 3.390 -9.252 1.00 54.51 O ATOM 190 CG2 THR A 99 -0.574 3.313 -9.259 1.00 62.21 C ATOM 0 H THR A 99 2.032 0.111 -8.225 1.00 22.35 H new ATOM 0 HA THR A 99 0.744 2.444 -6.996 1.00 75.34 H new ATOM 0 HB THR A 99 0.742 1.789 -9.970 1.00 3.23 H new ATOM 0 HG1 THR A 99 1.800 3.879 -10.101 1.00 54.51 H new ATOM 0 HG21 THR A 99 -0.590 3.852 -10.206 1.00 62.21 H new ATOM 0 HG22 THR A 99 -1.429 2.638 -9.211 1.00 62.21 H new ATOM 0 HG23 THR A 99 -0.627 4.025 -8.436 1.00 62.21 H new ATOM 198 N TRP A 100 -1.458 1.247 -7.000 1.00 33.40 N ATOM 199 CA TRP A 100 -2.676 0.459 -6.837 1.00 53.05 C ATOM 200 C TRP A 100 -3.914 1.322 -7.049 1.00 54.14 C ATOM 201 O TRP A 100 -4.104 2.331 -6.370 1.00 15.24 O ATOM 202 CB TRP A 100 -2.714 -0.177 -5.447 1.00 50.01 C ATOM 203 CG TRP A 100 -1.501 -1.001 -5.137 1.00 5.43 C ATOM 204 CD1 TRP A 100 -1.230 -2.262 -5.584 1.00 75.44 C ATOM 205 CD2 TRP A 100 -0.396 -0.620 -4.310 1.00 63.14 C ATOM 206 NE1 TRP A 100 -0.023 -2.689 -5.086 1.00 74.14 N ATOM 207 CE2 TRP A 100 0.510 -1.700 -4.302 1.00 13.42 C ATOM 208 CE3 TRP A 100 -0.081 0.528 -3.578 1.00 43.14 C ATOM 209 CZ2 TRP A 100 1.705 -1.663 -3.588 1.00 54.25 C ATOM 210 CZ3 TRP A 100 1.106 0.563 -2.871 1.00 73.42 C ATOM 211 CH2 TRP A 100 1.987 -0.527 -2.880 1.00 53.03 C ATOM 0 H TRP A 100 -1.463 2.139 -6.506 1.00 33.40 H new ATOM 0 HA TRP A 100 -2.673 -0.330 -7.589 1.00 53.05 H new ATOM 0 HB2 TRP A 100 -2.811 0.609 -4.698 1.00 50.01 H new ATOM 0 HB3 TRP A 100 -3.601 -0.805 -5.367 1.00 50.01 H new ATOM 0 HD1 TRP A 100 -1.871 -2.839 -6.234 1.00 75.44 H new ATOM 0 HE1 TRP A 100 0.407 -3.596 -5.270 1.00 74.14 H new ATOM 0 HE3 TRP A 100 -0.753 1.373 -3.565 1.00 43.14 H new ATOM 0 HZ2 TRP A 100 2.385 -2.502 -3.593 1.00 54.25 H new ATOM 0 HZ3 TRP A 100 1.359 1.445 -2.302 1.00 73.42 H new ATOM 0 HH2 TRP A 100 2.907 -0.469 -2.317 1.00 53.03 H new ATOM 222 N VAL A 101 -4.756 0.920 -7.997 1.00 11.35 N ATOM 223 CA VAL A 101 -5.978 1.656 -8.297 1.00 0.55 C ATOM 224 C VAL A 101 -7.198 0.965 -7.699 1.00 33.53 C ATOM 225 O VAL A 101 -7.548 -0.150 -8.092 1.00 0.25 O ATOM 226 CB VAL A 101 -6.182 1.810 -9.816 1.00 12.14 C ATOM 227 CG1 VAL A 101 -7.335 2.759 -10.107 1.00 21.34 C ATOM 228 CG2 VAL A 101 -4.902 2.296 -10.478 1.00 25.02 C ATOM 0 H VAL A 101 -4.613 0.088 -8.570 1.00 11.35 H new ATOM 0 HA VAL A 101 -5.869 2.644 -7.850 1.00 0.55 H new ATOM 0 HB VAL A 101 -6.432 0.834 -10.232 1.00 12.14 H new ATOM 0 HG11 VAL A 101 -7.464 2.855 -11.185 1.00 21.34 H new ATOM 0 HG12 VAL A 101 -8.251 2.365 -9.666 1.00 21.34 H new ATOM 0 HG13 VAL A 101 -7.118 3.738 -9.679 1.00 21.34 H new ATOM 0 HG21 VAL A 101 -5.064 2.399 -11.551 1.00 25.02 H new ATOM 0 HG22 VAL A 101 -4.620 3.262 -10.059 1.00 25.02 H new ATOM 0 HG23 VAL A 101 -4.104 1.576 -10.299 1.00 25.02 H new ATOM 238 N LEU A 102 -7.842 1.630 -6.747 1.00 15.20 N ATOM 239 CA LEU A 102 -9.025 1.080 -6.095 1.00 2.43 C ATOM 240 C LEU A 102 -10.049 2.175 -5.810 1.00 23.21 C ATOM 241 O LEU A 102 -9.689 3.320 -5.541 1.00 43.21 O ATOM 242 CB LEU A 102 -8.633 0.380 -4.792 1.00 1.41 C ATOM 243 CG LEU A 102 -8.194 1.293 -3.646 1.00 22.10 C ATOM 244 CD1 LEU A 102 -8.838 0.856 -2.339 1.00 3.43 C ATOM 245 CD2 LEU A 102 -6.677 1.298 -3.520 1.00 54.52 C ATOM 0 H LEU A 102 -7.565 2.552 -6.409 1.00 15.20 H new ATOM 0 HA LEU A 102 -9.477 0.353 -6.770 1.00 2.43 H new ATOM 0 HB2 LEU A 102 -9.482 -0.214 -4.452 1.00 1.41 H new ATOM 0 HB3 LEU A 102 -7.822 -0.316 -5.006 1.00 1.41 H new ATOM 0 HG LEU A 102 -8.524 2.308 -3.868 1.00 22.10 H new ATOM 0 HD11 LEU A 102 -8.514 1.517 -1.535 1.00 3.43 H new ATOM 0 HD12 LEU A 102 -9.923 0.904 -2.434 1.00 3.43 H new ATOM 0 HD13 LEU A 102 -8.539 -0.167 -2.110 1.00 3.43 H new ATOM 0 HD21 LEU A 102 -6.382 1.953 -2.700 1.00 54.52 H new ATOM 0 HD22 LEU A 102 -6.325 0.286 -3.321 1.00 54.52 H new ATOM 0 HD23 LEU A 102 -6.236 1.659 -4.449 1.00 54.52 H new ATOM 257 N ARG A 103 -11.326 1.812 -5.868 1.00 44.14 N ATOM 258 CA ARG A 103 -12.402 2.763 -5.616 1.00 62.23 C ATOM 259 C ARG A 103 -12.518 3.070 -4.126 1.00 3.54 C ATOM 260 O ARG A 103 -13.214 2.371 -3.388 1.00 44.14 O ATOM 261 CB ARG A 103 -13.730 2.213 -6.138 1.00 40.04 C ATOM 262 CG ARG A 103 -13.842 2.227 -7.654 1.00 22.12 C ATOM 263 CD ARG A 103 -15.072 1.471 -8.130 1.00 71.31 C ATOM 264 NE ARG A 103 -15.951 2.310 -8.940 1.00 65.31 N ATOM 265 CZ ARG A 103 -17.202 1.984 -9.244 1.00 60.42 C ATOM 266 NH1 ARG A 103 -17.719 0.844 -8.807 1.00 23.11 N ATOM 267 NH2 ARG A 103 -17.939 2.800 -9.987 1.00 35.44 N ATOM 0 H ARG A 103 -11.641 0.867 -6.087 1.00 44.14 H new ATOM 0 HA ARG A 103 -12.167 3.687 -6.143 1.00 62.23 H new ATOM 0 HB2 ARG A 103 -13.855 1.190 -5.782 1.00 40.04 H new ATOM 0 HB3 ARG A 103 -14.547 2.799 -5.716 1.00 40.04 H new ATOM 0 HG2 ARG A 103 -13.888 3.257 -8.007 1.00 22.12 H new ATOM 0 HG3 ARG A 103 -12.948 1.781 -8.090 1.00 22.12 H new ATOM 0 HD2 ARG A 103 -14.761 0.603 -8.712 1.00 71.31 H new ATOM 0 HD3 ARG A 103 -15.623 1.096 -7.268 1.00 71.31 H new ATOM 0 HE ARG A 103 -15.584 3.195 -9.291 1.00 65.31 H new ATOM 0 HH11 ARG A 103 -17.156 0.214 -8.236 1.00 23.11 H new ATOM 0 HH12 ARG A 103 -18.680 0.597 -9.042 1.00 23.11 H new ATOM 0 HH21 ARG A 103 -17.545 3.678 -10.325 1.00 35.44 H new ATOM 0 HH22 ARG A 103 -18.900 2.549 -10.220 1.00 35.44 H new ATOM 281 N LEU A 104 -11.830 4.119 -3.688 1.00 44.42 N ATOM 282 CA LEU A 104 -11.854 4.520 -2.286 1.00 54.33 C ATOM 283 C LEU A 104 -12.346 5.956 -2.139 1.00 5.25 C ATOM 284 O LEU A 104 -12.210 6.767 -3.055 1.00 22.30 O ATOM 285 CB LEU A 104 -10.461 4.380 -1.671 1.00 24.01 C ATOM 286 CG LEU A 104 -10.414 3.954 -0.203 1.00 12.25 C ATOM 287 CD1 LEU A 104 -9.304 2.940 0.024 1.00 22.41 C ATOM 288 CD2 LEU A 104 -10.224 5.166 0.698 1.00 34.01 C ATOM 0 H LEU A 104 -11.248 4.707 -4.284 1.00 44.42 H new ATOM 0 HA LEU A 104 -12.545 3.863 -1.757 1.00 54.33 H new ATOM 0 HB2 LEU A 104 -9.898 3.653 -2.257 1.00 24.01 H new ATOM 0 HB3 LEU A 104 -9.946 5.336 -1.768 1.00 24.01 H new ATOM 0 HG LEU A 104 -11.364 3.484 0.049 1.00 12.25 H new ATOM 0 HD11 LEU A 104 -9.286 2.649 1.074 1.00 22.41 H new ATOM 0 HD12 LEU A 104 -9.483 2.060 -0.593 1.00 22.41 H new ATOM 0 HD13 LEU A 104 -8.345 3.383 -0.246 1.00 22.41 H new ATOM 0 HD21 LEU A 104 -10.193 4.844 1.739 1.00 34.01 H new ATOM 0 HD22 LEU A 104 -9.289 5.665 0.444 1.00 34.01 H new ATOM 0 HD23 LEU A 104 -11.054 5.858 0.557 1.00 34.01 H new ATOM 300 N ASP A 105 -12.915 6.265 -0.978 1.00 42.02 N ATOM 301 CA ASP A 105 -13.424 7.604 -0.709 1.00 2.12 C ATOM 302 C ASP A 105 -14.595 7.936 -1.628 1.00 54.40 C ATOM 303 O ASP A 105 -14.995 9.093 -1.749 1.00 11.35 O ATOM 304 CB ASP A 105 -12.313 8.640 -0.884 1.00 62.20 C ATOM 305 CG ASP A 105 -12.245 9.617 0.273 1.00 43.10 C ATOM 306 OD1 ASP A 105 -13.121 10.503 0.354 1.00 60.42 O ATOM 307 OD2 ASP A 105 -11.314 9.497 1.098 1.00 21.14 O ATOM 0 H ASP A 105 -13.035 5.606 -0.209 1.00 42.02 H new ATOM 0 HA ASP A 105 -13.776 7.631 0.322 1.00 2.12 H new ATOM 0 HB2 ASP A 105 -11.355 8.129 -0.981 1.00 62.20 H new ATOM 0 HB3 ASP A 105 -12.476 9.190 -1.811 1.00 62.20 H new ATOM 312 N GLY A 106 -15.141 6.911 -2.277 1.00 43.33 N ATOM 313 CA GLY A 106 -16.259 7.115 -3.178 1.00 13.41 C ATOM 314 C GLY A 106 -15.814 7.394 -4.600 1.00 12.31 C ATOM 315 O GLY A 106 -16.644 7.585 -5.490 1.00 65.13 O ATOM 0 H GLY A 106 -14.828 5.944 -2.194 1.00 43.33 H new ATOM 0 HA2 GLY A 106 -16.897 6.231 -3.167 1.00 13.41 H new ATOM 0 HA3 GLY A 106 -16.863 7.948 -2.819 1.00 13.41 H new ATOM 319 N GLU A 107 -14.503 7.420 -4.814 1.00 40.50 N ATOM 320 CA GLU A 107 -13.951 7.681 -6.138 1.00 44.41 C ATOM 321 C GLU A 107 -12.747 6.784 -6.413 1.00 32.40 C ATOM 322 O GLU A 107 -12.280 6.067 -5.528 1.00 43.04 O ATOM 323 CB GLU A 107 -13.543 9.151 -6.264 1.00 52.15 C ATOM 324 CG GLU A 107 -12.404 9.549 -5.341 1.00 33.41 C ATOM 325 CD GLU A 107 -12.025 11.011 -5.478 1.00 50.13 C ATOM 326 OE1 GLU A 107 -11.906 11.488 -6.626 1.00 44.41 O ATOM 327 OE2 GLU A 107 -11.849 11.678 -4.437 1.00 11.02 O ATOM 0 H GLU A 107 -13.804 7.264 -4.088 1.00 40.50 H new ATOM 0 HA GLU A 107 -14.723 7.460 -6.875 1.00 44.41 H new ATOM 0 HB2 GLU A 107 -13.250 9.351 -7.295 1.00 52.15 H new ATOM 0 HB3 GLU A 107 -14.408 9.779 -6.051 1.00 52.15 H new ATOM 0 HG2 GLU A 107 -12.690 9.347 -4.309 1.00 33.41 H new ATOM 0 HG3 GLU A 107 -11.533 8.930 -5.557 1.00 33.41 H new ATOM 334 N ASP A 108 -12.252 6.830 -7.644 1.00 72.52 N ATOM 335 CA ASP A 108 -11.103 6.021 -8.037 1.00 61.02 C ATOM 336 C ASP A 108 -9.837 6.499 -7.334 1.00 43.12 C ATOM 337 O ASP A 108 -9.104 7.341 -7.856 1.00 13.05 O ATOM 338 CB ASP A 108 -10.910 6.072 -9.553 1.00 12.00 C ATOM 339 CG ASP A 108 -10.935 7.489 -10.092 1.00 11.11 C ATOM 340 OD1 ASP A 108 -12.034 8.078 -10.163 1.00 61.03 O ATOM 341 OD2 ASP A 108 -9.855 8.009 -10.442 1.00 30.04 O ATOM 0 H ASP A 108 -12.628 7.419 -8.388 1.00 72.52 H new ATOM 0 HA ASP A 108 -11.296 4.991 -7.738 1.00 61.02 H new ATOM 0 HB2 ASP A 108 -9.960 5.605 -9.811 1.00 12.00 H new ATOM 0 HB3 ASP A 108 -11.694 5.489 -10.036 1.00 12.00 H new ATOM 346 N LEU A 109 -9.585 5.959 -6.147 1.00 31.34 N ATOM 347 CA LEU A 109 -8.407 6.331 -5.371 1.00 24.13 C ATOM 348 C LEU A 109 -7.147 5.708 -5.961 1.00 65.05 C ATOM 349 O LEU A 109 -7.074 4.494 -6.155 1.00 2.04 O ATOM 350 CB LEU A 109 -8.572 5.893 -3.915 1.00 65.02 C ATOM 351 CG LEU A 109 -7.760 6.676 -2.882 1.00 41.15 C ATOM 352 CD1 LEU A 109 -8.671 7.558 -2.044 1.00 42.22 C ATOM 353 CD2 LEU A 109 -6.970 5.726 -1.994 1.00 20.44 C ATOM 0 H LEU A 109 -10.181 5.262 -5.701 1.00 31.34 H new ATOM 0 HA LEU A 109 -8.306 7.416 -5.409 1.00 24.13 H new ATOM 0 HB2 LEU A 109 -9.627 5.968 -3.651 1.00 65.02 H new ATOM 0 HB3 LEU A 109 -8.299 4.840 -3.840 1.00 65.02 H new ATOM 0 HG LEU A 109 -7.055 7.317 -3.412 1.00 41.15 H new ATOM 0 HD11 LEU A 109 -8.075 8.107 -1.315 1.00 42.22 H new ATOM 0 HD12 LEU A 109 -9.192 8.263 -2.692 1.00 42.22 H new ATOM 0 HD13 LEU A 109 -9.400 6.937 -1.523 1.00 42.22 H new ATOM 0 HD21 LEU A 109 -6.398 6.300 -1.265 1.00 20.44 H new ATOM 0 HD22 LEU A 109 -7.657 5.059 -1.473 1.00 20.44 H new ATOM 0 HD23 LEU A 109 -6.288 5.137 -2.607 1.00 20.44 H new ATOM 365 N ARG A 110 -6.155 6.547 -6.245 1.00 63.41 N ATOM 366 CA ARG A 110 -4.896 6.077 -6.813 1.00 54.34 C ATOM 367 C ARG A 110 -3.809 6.015 -5.746 1.00 24.01 C ATOM 368 O ARG A 110 -3.349 7.044 -5.251 1.00 14.30 O ATOM 369 CB ARG A 110 -4.454 6.995 -7.955 1.00 14.15 C ATOM 370 CG ARG A 110 -3.416 6.370 -8.873 1.00 34.44 C ATOM 371 CD ARG A 110 -3.226 7.188 -10.139 1.00 54.51 C ATOM 372 NE ARG A 110 -1.936 6.927 -10.772 1.00 15.22 N ATOM 373 CZ ARG A 110 -1.676 7.195 -12.047 1.00 4.14 C ATOM 374 NH1 ARG A 110 -2.610 7.728 -12.821 1.00 14.25 N ATOM 375 NH2 ARG A 110 -0.477 6.929 -12.549 1.00 74.42 N ATOM 0 H ARG A 110 -6.199 7.554 -6.091 1.00 63.41 H new ATOM 0 HA ARG A 110 -5.054 5.072 -7.204 1.00 54.34 H new ATOM 0 HB2 ARG A 110 -5.327 7.273 -8.545 1.00 14.15 H new ATOM 0 HB3 ARG A 110 -4.047 7.915 -7.534 1.00 14.15 H new ATOM 0 HG2 ARG A 110 -2.465 6.288 -8.346 1.00 34.44 H new ATOM 0 HG3 ARG A 110 -3.724 5.358 -9.136 1.00 34.44 H new ATOM 0 HD2 ARG A 110 -4.027 6.959 -10.842 1.00 54.51 H new ATOM 0 HD3 ARG A 110 -3.304 8.249 -9.900 1.00 54.51 H new ATOM 0 HE ARG A 110 -1.194 6.517 -10.204 1.00 15.22 H new ATOM 0 HH11 ARG A 110 -3.533 7.934 -12.438 1.00 14.25 H new ATOM 0 HH12 ARG A 110 -2.406 7.932 -13.799 1.00 14.25 H new ATOM 0 HH21 ARG A 110 0.245 6.519 -11.956 1.00 74.42 H new ATOM 0 HH22 ARG A 110 -0.277 7.135 -13.528 1.00 74.42 H new ATOM 389 N VAL A 111 -3.401 4.800 -5.394 1.00 63.50 N ATOM 390 CA VAL A 111 -2.366 4.602 -4.386 1.00 52.50 C ATOM 391 C VAL A 111 -0.994 4.442 -5.030 1.00 65.11 C ATOM 392 O VAL A 111 -0.843 3.735 -6.027 1.00 43.33 O ATOM 393 CB VAL A 111 -2.659 3.366 -3.515 1.00 72.33 C ATOM 394 CG1 VAL A 111 -1.902 3.448 -2.199 1.00 22.30 C ATOM 395 CG2 VAL A 111 -4.155 3.229 -3.271 1.00 41.11 C ATOM 0 H VAL A 111 -3.772 3.937 -5.792 1.00 63.50 H new ATOM 0 HA VAL A 111 -2.366 5.491 -3.755 1.00 52.50 H new ATOM 0 HB VAL A 111 -2.318 2.479 -4.048 1.00 72.33 H new ATOM 0 HG11 VAL A 111 -2.122 2.566 -1.597 1.00 22.30 H new ATOM 0 HG12 VAL A 111 -0.831 3.494 -2.397 1.00 22.30 H new ATOM 0 HG13 VAL A 111 -2.210 4.343 -1.657 1.00 22.30 H new ATOM 0 HG21 VAL A 111 -4.344 2.351 -2.654 1.00 41.11 H new ATOM 0 HG22 VAL A 111 -4.523 4.118 -2.759 1.00 41.11 H new ATOM 0 HG23 VAL A 111 -4.671 3.120 -4.225 1.00 41.11 H new ATOM 405 N VAL A 112 0.006 5.102 -4.455 1.00 32.45 N ATOM 406 CA VAL A 112 1.367 5.032 -4.971 1.00 65.34 C ATOM 407 C VAL A 112 2.377 4.879 -3.839 1.00 61.24 C ATOM 408 O VAL A 112 2.386 5.664 -2.890 1.00 43.43 O ATOM 409 CB VAL A 112 1.720 6.285 -5.794 1.00 50.14 C ATOM 410 CG1 VAL A 112 3.173 6.237 -6.243 1.00 31.01 C ATOM 411 CG2 VAL A 112 0.788 6.417 -6.988 1.00 54.45 C ATOM 0 H VAL A 112 -0.102 5.692 -3.630 1.00 32.45 H new ATOM 0 HA VAL A 112 1.416 4.156 -5.618 1.00 65.34 H new ATOM 0 HB VAL A 112 1.589 7.163 -5.162 1.00 50.14 H new ATOM 0 HG11 VAL A 112 3.404 7.130 -6.823 1.00 31.01 H new ATOM 0 HG12 VAL A 112 3.823 6.194 -5.369 1.00 31.01 H new ATOM 0 HG13 VAL A 112 3.334 5.352 -6.859 1.00 31.01 H new ATOM 0 HG21 VAL A 112 1.051 7.308 -7.559 1.00 54.45 H new ATOM 0 HG22 VAL A 112 0.884 5.537 -7.624 1.00 54.45 H new ATOM 0 HG23 VAL A 112 -0.241 6.501 -6.639 1.00 54.45 H new ATOM 421 N LEU A 113 3.228 3.864 -3.946 1.00 55.34 N ATOM 422 CA LEU A 113 4.243 3.607 -2.931 1.00 44.22 C ATOM 423 C LEU A 113 5.639 3.909 -3.470 1.00 12.12 C ATOM 424 O LEU A 113 6.193 3.137 -4.251 1.00 23.13 O ATOM 425 CB LEU A 113 4.169 2.154 -2.463 1.00 21.41 C ATOM 426 CG LEU A 113 5.297 1.686 -1.542 1.00 13.24 C ATOM 427 CD1 LEU A 113 5.660 2.779 -0.547 1.00 32.32 C ATOM 428 CD2 LEU A 113 4.896 0.412 -0.813 1.00 43.13 C ATOM 0 H LEU A 113 3.235 3.206 -4.725 1.00 55.34 H new ATOM 0 HA LEU A 113 4.049 4.265 -2.084 1.00 44.22 H new ATOM 0 HB2 LEU A 113 3.221 2.008 -1.946 1.00 21.41 H new ATOM 0 HB3 LEU A 113 4.155 1.510 -3.343 1.00 21.41 H new ATOM 0 HG LEU A 113 6.174 1.471 -2.152 1.00 13.24 H new ATOM 0 HD11 LEU A 113 6.464 2.429 0.100 1.00 32.32 H new ATOM 0 HD12 LEU A 113 5.989 3.667 -1.086 1.00 32.32 H new ATOM 0 HD13 LEU A 113 4.787 3.024 0.058 1.00 32.32 H new ATOM 0 HD21 LEU A 113 5.710 0.093 -0.162 1.00 43.13 H new ATOM 0 HD22 LEU A 113 4.005 0.601 -0.214 1.00 43.13 H new ATOM 0 HD23 LEU A 113 4.685 -0.372 -1.540 1.00 43.13 H new ATOM 440 N GLU A 114 6.199 5.038 -3.045 1.00 63.00 N ATOM 441 CA GLU A 114 7.530 5.440 -3.484 1.00 64.25 C ATOM 442 C GLU A 114 8.610 4.718 -2.683 1.00 60.35 C ATOM 443 O GLU A 114 8.513 4.592 -1.462 1.00 72.53 O ATOM 444 CB GLU A 114 7.703 6.954 -3.343 1.00 75.30 C ATOM 445 CG GLU A 114 8.045 7.652 -4.648 1.00 1.13 C ATOM 446 CD GLU A 114 7.020 8.701 -5.035 1.00 61.20 C ATOM 447 OE1 GLU A 114 5.916 8.317 -5.477 1.00 43.22 O ATOM 448 OE2 GLU A 114 7.322 9.905 -4.896 1.00 22.20 O ATOM 0 H GLU A 114 5.752 5.689 -2.399 1.00 63.00 H new ATOM 0 HA GLU A 114 7.635 5.165 -4.533 1.00 64.25 H new ATOM 0 HB2 GLU A 114 6.783 7.381 -2.943 1.00 75.30 H new ATOM 0 HB3 GLU A 114 8.490 7.155 -2.616 1.00 75.30 H new ATOM 0 HG2 GLU A 114 9.024 8.122 -4.558 1.00 1.13 H new ATOM 0 HG3 GLU A 114 8.119 6.911 -5.444 1.00 1.13 H new ATOM 455 N LYS A 115 9.637 4.243 -3.379 1.00 4.23 N ATOM 456 CA LYS A 115 10.736 3.534 -2.735 1.00 72.31 C ATOM 457 C LYS A 115 11.633 4.500 -1.969 1.00 64.01 C ATOM 458 O LYS A 115 12.423 4.088 -1.119 1.00 10.01 O ATOM 459 CB LYS A 115 11.560 2.772 -3.777 1.00 35.45 C ATOM 460 CG LYS A 115 11.013 1.390 -4.091 1.00 64.12 C ATOM 461 CD LYS A 115 11.746 0.311 -3.312 1.00 63.14 C ATOM 462 CE LYS A 115 13.183 0.157 -3.790 1.00 74.03 C ATOM 463 NZ LYS A 115 13.701 -1.220 -3.556 1.00 55.42 N ATOM 0 H LYS A 115 9.731 4.336 -4.390 1.00 4.23 H new ATOM 0 HA LYS A 115 10.310 2.823 -2.027 1.00 72.31 H new ATOM 0 HB2 LYS A 115 11.598 3.356 -4.696 1.00 35.45 H new ATOM 0 HB3 LYS A 115 12.585 2.675 -3.418 1.00 35.45 H new ATOM 0 HG2 LYS A 115 9.950 1.355 -3.851 1.00 64.12 H new ATOM 0 HG3 LYS A 115 11.105 1.195 -5.159 1.00 64.12 H new ATOM 0 HD2 LYS A 115 11.739 0.559 -2.251 1.00 63.14 H new ATOM 0 HD3 LYS A 115 11.221 -0.638 -3.421 1.00 63.14 H new ATOM 0 HE2 LYS A 115 13.239 0.390 -4.853 1.00 74.03 H new ATOM 0 HE3 LYS A 115 13.817 0.876 -3.272 1.00 74.03 H new ATOM 0 HZ1 LYS A 115 14.682 -1.284 -3.895 1.00 55.42 H new ATOM 0 HZ2 LYS A 115 13.672 -1.434 -2.539 1.00 55.42 H new ATOM 0 HZ3 LYS A 115 13.111 -1.905 -4.071 1.00 55.42 H new ATOM 477 N ASP A 116 11.507 5.786 -2.275 1.00 40.34 N ATOM 478 CA ASP A 116 12.305 6.812 -1.615 1.00 4.12 C ATOM 479 C ASP A 116 12.216 6.677 -0.098 1.00 64.22 C ATOM 480 O ASP A 116 13.235 6.606 0.592 1.00 72.15 O ATOM 481 CB ASP A 116 11.841 8.205 -2.042 1.00 71.24 C ATOM 482 CG ASP A 116 12.946 9.009 -2.698 1.00 25.41 C ATOM 483 OD1 ASP A 116 13.588 8.483 -3.633 1.00 4.14 O ATOM 484 OD2 ASP A 116 13.171 10.163 -2.278 1.00 33.11 O ATOM 0 H ASP A 116 10.859 6.143 -2.977 1.00 40.34 H new ATOM 0 HA ASP A 116 13.344 6.676 -1.915 1.00 4.12 H new ATOM 0 HB2 ASP A 116 11.005 8.109 -2.735 1.00 71.24 H new ATOM 0 HB3 ASP A 116 11.472 8.745 -1.170 1.00 71.24 H new ATOM 489 N THR A 117 10.991 6.642 0.417 1.00 3.01 N ATOM 490 CA THR A 117 10.768 6.517 1.852 1.00 5.41 C ATOM 491 C THR A 117 9.642 5.534 2.150 1.00 20.04 C ATOM 492 O THR A 117 9.095 5.520 3.253 1.00 61.52 O ATOM 493 CB THR A 117 10.429 7.878 2.489 1.00 3.32 C ATOM 494 OG1 THR A 117 10.444 8.903 1.489 1.00 54.31 O ATOM 495 CG2 THR A 117 11.420 8.223 3.590 1.00 24.23 C ATOM 0 H THR A 117 10.138 6.699 -0.139 1.00 3.01 H new ATOM 0 HA THR A 117 11.696 6.143 2.284 1.00 5.41 H new ATOM 0 HB THR A 117 9.433 7.811 2.927 1.00 3.32 H new ATOM 0 HG1 THR A 117 10.226 9.765 1.901 1.00 54.31 H new ATOM 0 HG21 THR A 117 11.160 9.188 4.024 1.00 24.23 H new ATOM 0 HG22 THR A 117 11.386 7.456 4.364 1.00 24.23 H new ATOM 0 HG23 THR A 117 12.425 8.273 3.172 1.00 24.23 H new ATOM 503 N MET A 118 9.301 4.715 1.162 1.00 54.02 N ATOM 504 CA MET A 118 8.240 3.727 1.320 1.00 14.32 C ATOM 505 C MET A 118 6.938 4.392 1.758 1.00 4.35 C ATOM 506 O MET A 118 6.093 3.765 2.396 1.00 63.34 O ATOM 507 CB MET A 118 8.652 2.664 2.341 1.00 74.14 C ATOM 508 CG MET A 118 8.453 1.240 1.848 1.00 44.04 C ATOM 509 SD MET A 118 8.708 0.014 3.145 1.00 13.31 S ATOM 510 CE MET A 118 7.162 0.143 4.040 1.00 32.20 C ATOM 0 H MET A 118 9.744 4.715 0.243 1.00 54.02 H new ATOM 0 HA MET A 118 8.076 3.249 0.354 1.00 14.32 H new ATOM 0 HB2 MET A 118 9.701 2.807 2.599 1.00 74.14 H new ATOM 0 HB3 MET A 118 8.076 2.807 3.255 1.00 74.14 H new ATOM 0 HG2 MET A 118 7.444 1.136 1.448 1.00 44.04 H new ATOM 0 HG3 MET A 118 9.143 1.044 1.027 1.00 44.04 H new ATOM 0 HE1 MET A 118 7.365 0.222 5.108 1.00 32.20 H new ATOM 0 HE2 MET A 118 6.622 1.029 3.707 1.00 32.20 H new ATOM 0 HE3 MET A 118 6.557 -0.743 3.850 1.00 32.20 H new ATOM 520 N ASP A 119 6.785 5.666 1.414 1.00 0.52 N ATOM 521 CA ASP A 119 5.587 6.416 1.771 1.00 51.11 C ATOM 522 C ASP A 119 4.446 6.110 0.805 1.00 2.12 C ATOM 523 O ASP A 119 4.676 5.727 -0.342 1.00 1.34 O ATOM 524 CB ASP A 119 5.880 7.917 1.774 1.00 24.35 C ATOM 525 CG ASP A 119 4.684 8.741 2.209 1.00 31.31 C ATOM 526 OD1 ASP A 119 4.332 8.689 3.406 1.00 25.33 O ATOM 527 OD2 ASP A 119 4.101 9.437 1.353 1.00 51.24 O ATOM 0 H ASP A 119 7.476 6.201 0.888 1.00 0.52 H new ATOM 0 HA ASP A 119 5.283 6.111 2.773 1.00 51.11 H new ATOM 0 HB2 ASP A 119 6.718 8.119 2.441 1.00 24.35 H new ATOM 0 HB3 ASP A 119 6.186 8.226 0.775 1.00 24.35 H new ATOM 532 N VAL A 120 3.215 6.282 1.278 1.00 2.12 N ATOM 533 CA VAL A 120 2.039 6.025 0.457 1.00 70.42 C ATOM 534 C VAL A 120 1.392 7.327 0.000 1.00 50.02 C ATOM 535 O VAL A 120 1.217 8.255 0.788 1.00 31.24 O ATOM 536 CB VAL A 120 0.995 5.186 1.219 1.00 52.55 C ATOM 537 CG1 VAL A 120 -0.200 4.884 0.328 1.00 72.21 C ATOM 538 CG2 VAL A 120 1.621 3.901 1.738 1.00 25.52 C ATOM 0 H VAL A 120 3.007 6.598 2.225 1.00 2.12 H new ATOM 0 HA VAL A 120 2.378 5.466 -0.415 1.00 70.42 H new ATOM 0 HB VAL A 120 0.644 5.764 2.074 1.00 52.55 H new ATOM 0 HG11 VAL A 120 -0.927 4.291 0.883 1.00 72.21 H new ATOM 0 HG12 VAL A 120 -0.662 5.819 0.009 1.00 72.21 H new ATOM 0 HG13 VAL A 120 0.131 4.326 -0.548 1.00 72.21 H new ATOM 0 HG21 VAL A 120 0.870 3.321 2.274 1.00 25.52 H new ATOM 0 HG22 VAL A 120 2.001 3.317 0.900 1.00 25.52 H new ATOM 0 HG23 VAL A 120 2.442 4.143 2.413 1.00 25.52 H new ATOM 548 N TRP A 121 1.039 7.388 -1.279 1.00 3.13 N ATOM 549 CA TRP A 121 0.411 8.579 -1.842 1.00 30.31 C ATOM 550 C TRP A 121 -0.975 8.254 -2.389 1.00 54.31 C ATOM 551 O TRP A 121 -1.134 7.342 -3.202 1.00 35.14 O ATOM 552 CB TRP A 121 1.286 9.167 -2.950 1.00 32.41 C ATOM 553 CG TRP A 121 1.216 10.661 -3.031 1.00 13.21 C ATOM 554 CD1 TRP A 121 0.467 11.402 -3.901 1.00 35.21 C ATOM 555 CD2 TRP A 121 1.925 11.598 -2.212 1.00 31.21 C ATOM 556 NE1 TRP A 121 0.667 12.742 -3.672 1.00 64.23 N ATOM 557 CE2 TRP A 121 1.556 12.888 -2.640 1.00 50.13 C ATOM 558 CE3 TRP A 121 2.833 11.472 -1.157 1.00 54.42 C ATOM 559 CZ2 TRP A 121 2.066 14.042 -2.051 1.00 64.11 C ATOM 560 CZ3 TRP A 121 3.338 12.619 -0.573 1.00 62.52 C ATOM 561 CH2 TRP A 121 2.954 13.889 -1.020 1.00 73.12 C ATOM 0 H TRP A 121 1.176 6.628 -1.945 1.00 3.13 H new ATOM 0 HA TRP A 121 0.304 9.315 -1.046 1.00 30.31 H new ATOM 0 HB2 TRP A 121 2.321 8.867 -2.784 1.00 32.41 H new ATOM 0 HB3 TRP A 121 0.981 8.744 -3.907 1.00 32.41 H new ATOM 0 HD1 TRP A 121 -0.187 10.994 -4.658 1.00 35.21 H new ATOM 0 HE1 TRP A 121 0.225 13.504 -4.187 1.00 64.23 H new ATOM 0 HE3 TRP A 121 3.135 10.497 -0.804 1.00 54.42 H new ATOM 0 HZ2 TRP A 121 1.772 15.023 -2.395 1.00 64.11 H new ATOM 0 HZ3 TRP A 121 4.041 12.534 0.242 1.00 62.52 H new ATOM 0 HH2 TRP A 121 3.366 14.765 -0.542 1.00 73.12 H new ATOM 572 N CYS A 122 -1.974 9.007 -1.942 1.00 22.44 N ATOM 573 CA CYS A 122 -3.347 8.798 -2.387 1.00 15.53 C ATOM 574 C CYS A 122 -4.000 10.122 -2.773 1.00 62.22 C ATOM 575 O CYS A 122 -3.926 11.102 -2.033 1.00 25.43 O ATOM 576 CB CYS A 122 -4.164 8.116 -1.289 1.00 24.33 C ATOM 577 SG CYS A 122 -3.768 6.367 -1.056 1.00 75.41 S ATOM 0 H CYS A 122 -1.859 9.767 -1.272 1.00 22.44 H new ATOM 0 HA CYS A 122 -3.323 8.153 -3.266 1.00 15.53 H new ATOM 0 HB2 CYS A 122 -4.001 8.643 -0.349 1.00 24.33 H new ATOM 0 HB3 CYS A 122 -5.223 8.209 -1.528 1.00 24.33 H new ATOM 0 HG CYS A 122 -3.561 6.133 0.206 1.00 75.41 H new ATOM 583 N ASN A 123 -4.638 10.144 -3.939 1.00 21.32 N ATOM 584 CA ASN A 123 -5.302 11.348 -4.425 1.00 64.11 C ATOM 585 C ASN A 123 -4.369 12.552 -4.345 1.00 12.24 C ATOM 586 O ASN A 123 -4.709 13.575 -3.751 1.00 35.05 O ATOM 587 CB ASN A 123 -6.572 11.616 -3.616 1.00 2.01 C ATOM 588 CG ASN A 123 -7.774 10.869 -4.162 1.00 1.04 C ATOM 589 OD1 ASN A 123 -8.601 10.344 -3.265 1.00 11.45 O flip ATOM 590 ND2 ASN A 123 -7.956 10.764 -5.375 1.00 23.34 N flip ATOM 0 H ASN A 123 -4.709 9.342 -4.565 1.00 21.32 H new ATOM 0 HA ASN A 123 -5.572 11.189 -5.469 1.00 64.11 H new ATOM 0 HB2 ASN A 123 -6.407 11.325 -2.579 1.00 2.01 H new ATOM 0 HB3 ASN A 123 -6.781 12.686 -3.617 1.00 2.01 H new ATOM 0 HD21 ASN A 123 -7.294 11.184 -6.028 1.00 23.34 H new ATOM 0 HD22 ASN A 123 -8.768 10.257 -5.727 1.00 23.34 H new ATOM 597 N GLY A 124 -3.192 12.425 -4.949 1.00 64.41 N ATOM 598 CA GLY A 124 -2.229 13.510 -4.935 1.00 50.31 C ATOM 599 C GLY A 124 -2.019 14.081 -3.546 1.00 50.01 C ATOM 600 O GLY A 124 -1.909 15.295 -3.379 1.00 31.24 O ATOM 0 H GLY A 124 -2.888 11.589 -5.448 1.00 64.41 H new ATOM 0 HA2 GLY A 124 -1.276 13.151 -5.325 1.00 50.31 H new ATOM 0 HA3 GLY A 124 -2.569 14.302 -5.603 1.00 50.31 H new ATOM 604 N GLN A 125 -1.965 13.203 -2.550 1.00 1.30 N ATOM 605 CA GLN A 125 -1.770 13.628 -1.169 1.00 4.21 C ATOM 606 C GLN A 125 -1.011 12.569 -0.376 1.00 61.32 C ATOM 607 O GLN A 125 -1.144 11.372 -0.632 1.00 63.32 O ATOM 608 CB GLN A 125 -3.117 13.911 -0.504 1.00 14.01 C ATOM 609 CG GLN A 125 -3.228 15.313 0.075 1.00 64.42 C ATOM 610 CD GLN A 125 -4.131 16.213 -0.744 1.00 41.34 C ATOM 611 OE1 GLN A 125 -5.292 15.887 -0.994 1.00 41.54 O ATOM 612 NE2 GLN A 125 -3.600 17.354 -1.169 1.00 15.42 N ATOM 0 H GLN A 125 -2.053 12.194 -2.673 1.00 1.30 H new ATOM 0 HA GLN A 125 -1.179 14.544 -1.178 1.00 4.21 H new ATOM 0 HB2 GLN A 125 -3.912 13.765 -1.236 1.00 14.01 H new ATOM 0 HB3 GLN A 125 -3.279 13.184 0.292 1.00 14.01 H new ATOM 0 HG2 GLN A 125 -3.610 15.252 1.094 1.00 64.42 H new ATOM 0 HG3 GLN A 125 -2.234 15.758 0.133 1.00 64.42 H new ATOM 0 HE21 GLN A 125 -2.633 17.584 -0.938 1.00 15.42 H new ATOM 0 HE22 GLN A 125 -4.159 18.000 -1.726 1.00 15.42 H new ATOM 621 N LYS A 126 -0.214 13.016 0.589 1.00 4.11 N ATOM 622 CA LYS A 126 0.566 12.108 1.421 1.00 1.00 C ATOM 623 C LYS A 126 -0.343 11.281 2.325 1.00 40.21 C ATOM 624 O LYS A 126 -1.489 11.653 2.574 1.00 74.34 O ATOM 625 CB LYS A 126 1.568 12.894 2.269 1.00 65.32 C ATOM 626 CG LYS A 126 2.708 12.046 2.807 1.00 74.22 C ATOM 627 CD LYS A 126 3.860 12.905 3.295 1.00 3.05 C ATOM 628 CE LYS A 126 5.023 12.054 3.785 1.00 13.12 C ATOM 629 NZ LYS A 126 6.143 12.027 2.805 1.00 72.01 N ATOM 0 H LYS A 126 -0.091 14.003 0.814 1.00 4.11 H new ATOM 0 HA LYS A 126 1.109 11.429 0.763 1.00 1.00 H new ATOM 0 HB2 LYS A 126 1.981 13.705 1.669 1.00 65.32 H new ATOM 0 HB3 LYS A 126 1.042 13.353 3.106 1.00 65.32 H new ATOM 0 HG2 LYS A 126 2.345 11.424 3.625 1.00 74.22 H new ATOM 0 HG3 LYS A 126 3.061 11.372 2.026 1.00 74.22 H new ATOM 0 HD2 LYS A 126 4.198 13.555 2.488 1.00 3.05 H new ATOM 0 HD3 LYS A 126 3.516 13.552 4.102 1.00 3.05 H new ATOM 0 HE2 LYS A 126 5.383 12.445 4.737 1.00 13.12 H new ATOM 0 HE3 LYS A 126 4.677 11.037 3.968 1.00 13.12 H new ATOM 0 HZ1 LYS A 126 6.915 11.437 3.176 1.00 72.01 H new ATOM 0 HZ2 LYS A 126 5.807 11.631 1.904 1.00 72.01 H new ATOM 0 HZ3 LYS A 126 6.491 12.995 2.649 1.00 72.01 H new ATOM 643 N MET A 127 0.177 10.161 2.813 1.00 61.41 N ATOM 644 CA MET A 127 -0.588 9.283 3.692 1.00 53.42 C ATOM 645 C MET A 127 0.154 9.045 5.003 1.00 21.41 C ATOM 646 O MET A 127 1.350 9.313 5.106 1.00 4.43 O ATOM 647 CB MET A 127 -0.865 7.947 3.000 1.00 41.34 C ATOM 648 CG MET A 127 -1.824 8.060 1.824 1.00 44.01 C ATOM 649 SD MET A 127 -3.551 7.937 2.323 1.00 71.34 S ATOM 650 CE MET A 127 -3.588 6.285 3.014 1.00 11.33 C ATOM 0 H MET A 127 1.124 9.839 2.615 1.00 61.41 H new ATOM 0 HA MET A 127 -1.536 9.772 3.915 1.00 53.42 H new ATOM 0 HB2 MET A 127 0.078 7.525 2.651 1.00 41.34 H new ATOM 0 HB3 MET A 127 -1.276 7.248 3.728 1.00 41.34 H new ATOM 0 HG2 MET A 127 -1.663 9.012 1.319 1.00 44.01 H new ATOM 0 HG3 MET A 127 -1.602 7.274 1.102 1.00 44.01 H new ATOM 0 HE1 MET A 127 -4.249 5.656 2.418 1.00 11.33 H new ATOM 0 HE2 MET A 127 -2.582 5.865 3.006 1.00 11.33 H new ATOM 0 HE3 MET A 127 -3.955 6.328 4.039 1.00 11.33 H new ATOM 660 N GLU A 128 -0.564 8.539 6.001 1.00 4.44 N ATOM 661 CA GLU A 128 0.028 8.267 7.306 1.00 45.22 C ATOM 662 C GLU A 128 -0.075 6.784 7.651 1.00 50.41 C ATOM 663 O GLU A 128 -1.152 6.284 7.977 1.00 13.00 O ATOM 664 CB GLU A 128 -0.659 9.103 8.388 1.00 63.02 C ATOM 665 CG GLU A 128 0.216 10.213 8.946 1.00 53.51 C ATOM 666 CD GLU A 128 0.060 10.379 10.445 1.00 21.20 C ATOM 667 OE1 GLU A 128 -0.951 10.973 10.876 1.00 44.15 O ATOM 668 OE2 GLU A 128 0.951 9.915 11.188 1.00 14.32 O ATOM 0 H GLU A 128 -1.555 8.309 5.931 1.00 4.44 H new ATOM 0 HA GLU A 128 1.082 8.540 7.262 1.00 45.22 H new ATOM 0 HB2 GLU A 128 -1.568 9.541 7.975 1.00 63.02 H new ATOM 0 HB3 GLU A 128 -0.964 8.447 9.204 1.00 63.02 H new ATOM 0 HG2 GLU A 128 1.259 10.000 8.714 1.00 53.51 H new ATOM 0 HG3 GLU A 128 -0.035 11.152 8.452 1.00 53.51 H new ATOM 675 N THR A 129 1.054 6.086 7.576 1.00 32.44 N ATOM 676 CA THR A 129 1.091 4.660 7.878 1.00 22.44 C ATOM 677 C THR A 129 1.522 4.415 9.320 1.00 31.41 C ATOM 678 O THR A 129 1.701 5.356 10.093 1.00 41.11 O ATOM 679 CB THR A 129 2.049 3.911 6.934 1.00 61.44 C ATOM 680 OG1 THR A 129 3.407 4.212 7.273 1.00 64.51 O ATOM 681 CG2 THR A 129 1.786 4.291 5.484 1.00 64.42 C ATOM 0 H THR A 129 1.954 6.485 7.309 1.00 32.44 H new ATOM 0 HA THR A 129 0.080 4.280 7.734 1.00 22.44 H new ATOM 0 HB THR A 129 1.876 2.841 7.050 1.00 61.44 H new ATOM 0 HG1 THR A 129 3.725 3.575 7.946 1.00 64.51 H new ATOM 0 HG21 THR A 129 2.475 3.750 4.835 1.00 64.42 H new ATOM 0 HG22 THR A 129 0.760 4.033 5.220 1.00 64.42 H new ATOM 0 HG23 THR A 129 1.934 5.363 5.356 1.00 64.42 H new ATOM 689 N ALA A 130 1.689 3.145 9.675 1.00 74.13 N ATOM 690 CA ALA A 130 2.102 2.777 11.023 1.00 14.05 C ATOM 691 C ALA A 130 3.593 2.461 11.074 1.00 73.32 C ATOM 692 O ALA A 130 4.254 2.699 12.083 1.00 35.41 O ATOM 693 CB ALA A 130 1.292 1.588 11.517 1.00 32.43 C ATOM 0 H ALA A 130 1.544 2.354 9.047 1.00 74.13 H new ATOM 0 HA ALA A 130 1.915 3.628 11.678 1.00 14.05 H new ATOM 0 HB1 ALA A 130 1.611 1.324 12.525 1.00 32.43 H new ATOM 0 HB2 ALA A 130 0.234 1.848 11.528 1.00 32.43 H new ATOM 0 HB3 ALA A 130 1.450 0.739 10.852 1.00 32.43 H new ATOM 699 N GLY A 131 4.116 1.922 9.977 1.00 44.32 N ATOM 700 CA GLY A 131 5.525 1.582 9.918 1.00 44.23 C ATOM 701 C GLY A 131 5.923 0.571 10.975 1.00 14.22 C ATOM 702 O GLY A 131 6.192 0.935 12.119 1.00 32.23 O ATOM 0 H GLY A 131 3.589 1.715 9.129 1.00 44.32 H new ATOM 0 HA2 GLY A 131 5.758 1.182 8.931 1.00 44.23 H new ATOM 0 HA3 GLY A 131 6.119 2.487 10.043 1.00 44.23 H new ATOM 706 N GLU A 132 5.959 -0.701 10.591 1.00 15.53 N ATOM 707 CA GLU A 132 6.324 -1.767 11.516 1.00 22.14 C ATOM 708 C GLU A 132 6.983 -2.927 10.777 1.00 70.32 C ATOM 709 O GLU A 132 6.309 -3.729 10.129 1.00 32.14 O ATOM 710 CB GLU A 132 5.088 -2.264 12.271 1.00 52.14 C ATOM 711 CG GLU A 132 5.047 -1.828 13.726 1.00 54.34 C ATOM 712 CD GLU A 132 3.710 -2.113 14.382 1.00 44.01 C ATOM 713 OE1 GLU A 132 2.779 -2.542 13.668 1.00 10.21 O ATOM 714 OE2 GLU A 132 3.594 -1.908 15.608 1.00 25.23 O ATOM 0 H GLU A 132 5.740 -1.018 9.647 1.00 15.53 H new ATOM 0 HA GLU A 132 7.039 -1.362 12.232 1.00 22.14 H new ATOM 0 HB2 GLU A 132 4.193 -1.900 11.766 1.00 52.14 H new ATOM 0 HB3 GLU A 132 5.058 -3.353 12.226 1.00 52.14 H new ATOM 0 HG2 GLU A 132 5.835 -2.341 14.278 1.00 54.34 H new ATOM 0 HG3 GLU A 132 5.258 -0.760 13.788 1.00 54.34 H new ATOM 781 N GLY A 137 8.562 -8.703 6.477 1.00 60.11 N ATOM 782 CA GLY A 137 8.769 -7.454 5.768 1.00 63.34 C ATOM 783 C GLY A 137 8.343 -6.249 6.581 1.00 11.40 C ATOM 784 O GLY A 137 8.825 -6.038 7.695 1.00 41.01 O ATOM 0 HA2 GLY A 137 9.823 -7.358 5.507 1.00 63.34 H new ATOM 0 HA3 GLY A 137 8.210 -7.474 4.833 1.00 63.34 H new ATOM 788 N THR A 138 7.436 -5.452 6.024 1.00 2.43 N ATOM 789 CA THR A 138 6.947 -4.259 6.703 1.00 12.03 C ATOM 790 C THR A 138 5.433 -4.135 6.575 1.00 72.13 C ATOM 791 O THR A 138 4.883 -4.246 5.479 1.00 22.32 O ATOM 792 CB THR A 138 7.604 -2.983 6.143 1.00 33.11 C ATOM 793 OG1 THR A 138 8.645 -3.333 5.223 1.00 15.31 O ATOM 794 CG2 THR A 138 8.177 -2.132 7.266 1.00 64.15 C ATOM 0 H THR A 138 7.025 -5.612 5.104 1.00 2.43 H new ATOM 0 HA THR A 138 7.213 -4.364 7.755 1.00 12.03 H new ATOM 0 HB THR A 138 6.840 -2.404 5.624 1.00 33.11 H new ATOM 0 HG1 THR A 138 9.057 -2.517 4.870 1.00 15.31 H new ATOM 0 HG21 THR A 138 8.636 -1.237 6.846 1.00 64.15 H new ATOM 0 HG22 THR A 138 7.377 -1.844 7.949 1.00 64.15 H new ATOM 0 HG23 THR A 138 8.929 -2.704 7.809 1.00 64.15 H new ATOM 802 N GLU A 139 4.765 -3.903 7.701 1.00 51.21 N ATOM 803 CA GLU A 139 3.313 -3.764 7.712 1.00 21.41 C ATOM 804 C GLU A 139 2.907 -2.301 7.856 1.00 10.32 C ATOM 805 O GLU A 139 2.850 -1.765 8.964 1.00 63.22 O ATOM 806 CB GLU A 139 2.709 -4.587 8.852 1.00 12.13 C ATOM 807 CG GLU A 139 3.315 -5.973 8.990 1.00 30.00 C ATOM 808 CD GLU A 139 2.714 -6.761 10.138 1.00 62.30 C ATOM 809 OE1 GLU A 139 1.705 -6.298 10.710 1.00 54.11 O ATOM 810 OE2 GLU A 139 3.253 -7.839 10.465 1.00 53.15 O ATOM 0 H GLU A 139 5.205 -3.807 8.616 1.00 51.21 H new ATOM 0 HA GLU A 139 2.931 -4.137 6.762 1.00 21.41 H new ATOM 0 HB2 GLU A 139 2.842 -4.047 9.789 1.00 12.13 H new ATOM 0 HB3 GLU A 139 1.635 -4.684 8.690 1.00 12.13 H new ATOM 0 HG2 GLU A 139 3.169 -6.523 8.061 1.00 30.00 H new ATOM 0 HG3 GLU A 139 4.391 -5.882 9.141 1.00 30.00 H new ATOM 817 N THR A 140 2.627 -1.656 6.727 1.00 31.42 N ATOM 818 CA THR A 140 2.229 -0.255 6.726 1.00 44.44 C ATOM 819 C THR A 140 0.723 -0.110 6.917 1.00 60.12 C ATOM 820 O THR A 140 -0.060 -0.443 6.026 1.00 14.25 O ATOM 821 CB THR A 140 2.638 0.445 5.416 1.00 24.00 C ATOM 822 OG1 THR A 140 3.124 -0.521 4.476 1.00 55.35 O ATOM 823 CG2 THR A 140 3.711 1.492 5.673 1.00 32.05 C ATOM 0 H THR A 140 2.669 -2.083 5.802 1.00 31.42 H new ATOM 0 HA THR A 140 2.746 0.220 7.560 1.00 44.44 H new ATOM 0 HB THR A 140 1.759 0.942 5.006 1.00 24.00 H new ATOM 0 HG1 THR A 140 2.444 -1.212 4.336 1.00 55.35 H new ATOM 0 HG21 THR A 140 3.983 1.972 4.733 1.00 32.05 H new ATOM 0 HG22 THR A 140 3.329 2.241 6.366 1.00 32.05 H new ATOM 0 HG23 THR A 140 4.590 1.014 6.104 1.00 32.05 H new ATOM 831 N HIS A 141 0.324 0.388 8.082 1.00 4.31 N ATOM 832 CA HIS A 141 -1.089 0.577 8.389 1.00 41.03 C ATOM 833 C HIS A 141 -1.482 2.046 8.255 1.00 72.42 C ATOM 834 O HIS A 141 -1.125 2.874 9.092 1.00 21.32 O ATOM 835 CB HIS A 141 -1.397 0.083 9.803 1.00 64.14 C ATOM 836 CG HIS A 141 -0.869 -1.291 10.084 1.00 2.31 C ATOM 837 ND1 HIS A 141 0.230 -1.695 10.763 1.00 61.01 N flip ATOM 838 CD2 HIS A 141 -1.491 -2.441 9.645 1.00 21.15 C flip ATOM 839 CE1 HIS A 141 0.251 -3.067 10.724 1.00 4.41 C flip ATOM 840 NE2 HIS A 141 -0.799 -3.493 10.044 1.00 20.50 N flip ATOM 0 H HIS A 141 0.959 0.668 8.829 1.00 4.31 H new ATOM 0 HA HIS A 141 -1.671 -0.005 7.674 1.00 41.03 H new ATOM 0 HB2 HIS A 141 -0.972 0.781 10.524 1.00 64.14 H new ATOM 0 HB3 HIS A 141 -2.477 0.087 9.954 1.00 64.14 H new ATOM 0 HD2 HIS A 141 -2.402 -2.476 9.065 1.00 21.15 H new ATOM 0 HE1 HIS A 141 1.004 -3.696 11.176 1.00 4.41 H new ATOM 0 HE2 HIS A 141 -1.035 -4.468 9.859 1.00 20.50 H new ATOM 848 N PHE A 142 -2.219 2.361 7.194 1.00 23.11 N ATOM 849 CA PHE A 142 -2.659 3.729 6.949 1.00 53.30 C ATOM 850 C PHE A 142 -4.181 3.805 6.867 1.00 73.31 C ATOM 851 O PHE A 142 -4.804 3.125 6.052 1.00 23.04 O ATOM 852 CB PHE A 142 -2.041 4.263 5.656 1.00 64.23 C ATOM 853 CG PHE A 142 -2.075 3.277 4.523 1.00 34.30 C ATOM 854 CD1 PHE A 142 -3.174 3.206 3.682 1.00 10.31 C ATOM 855 CD2 PHE A 142 -1.010 2.420 4.300 1.00 45.13 C ATOM 856 CE1 PHE A 142 -3.210 2.298 2.640 1.00 4.41 C ATOM 857 CE2 PHE A 142 -1.039 1.511 3.260 1.00 72.44 C ATOM 858 CZ PHE A 142 -2.140 1.451 2.427 1.00 0.33 C ATOM 0 H PHE A 142 -2.523 1.687 6.491 1.00 23.11 H new ATOM 0 HA PHE A 142 -2.326 4.345 7.784 1.00 53.30 H new ATOM 0 HB2 PHE A 142 -2.571 5.167 5.356 1.00 64.23 H new ATOM 0 HB3 PHE A 142 -1.007 4.548 5.848 1.00 64.23 H new ATOM 0 HD1 PHE A 142 -4.012 3.868 3.842 1.00 10.31 H new ATOM 0 HD2 PHE A 142 -0.146 2.463 4.947 1.00 45.13 H new ATOM 0 HE1 PHE A 142 -4.074 2.251 1.993 1.00 4.41 H new ATOM 0 HE2 PHE A 142 -0.202 0.848 3.098 1.00 72.44 H new ATOM 0 HZ PHE A 142 -2.164 0.743 1.611 1.00 0.33 H new ATOM 868 N SER A 143 -4.773 4.637 7.718 1.00 10.41 N ATOM 869 CA SER A 143 -6.222 4.799 7.746 1.00 11.23 C ATOM 870 C SER A 143 -6.674 5.824 6.710 1.00 33.23 C ATOM 871 O SER A 143 -5.917 6.719 6.334 1.00 62.32 O ATOM 872 CB SER A 143 -6.681 5.230 9.140 1.00 20.21 C ATOM 873 OG SER A 143 -7.518 4.248 9.727 1.00 31.40 O ATOM 0 H SER A 143 -4.272 5.209 8.397 1.00 10.41 H new ATOM 0 HA SER A 143 -6.675 3.838 7.503 1.00 11.23 H new ATOM 0 HB2 SER A 143 -5.812 5.400 9.776 1.00 20.21 H new ATOM 0 HB3 SER A 143 -7.217 6.177 9.073 1.00 20.21 H new ATOM 0 HG SER A 143 -7.797 4.546 10.618 1.00 31.40 H new ATOM 879 N VAL A 144 -7.915 5.687 6.253 1.00 25.20 N ATOM 880 CA VAL A 144 -8.470 6.599 5.261 1.00 10.44 C ATOM 881 C VAL A 144 -9.967 6.793 5.471 1.00 74.13 C ATOM 882 O VAL A 144 -10.765 5.903 5.179 1.00 12.33 O ATOM 883 CB VAL A 144 -8.224 6.090 3.829 1.00 40.12 C ATOM 884 CG1 VAL A 144 -8.740 7.093 2.809 1.00 4.21 C ATOM 885 CG2 VAL A 144 -6.745 5.808 3.611 1.00 2.13 C ATOM 0 H VAL A 144 -8.555 4.952 6.555 1.00 25.20 H new ATOM 0 HA VAL A 144 -7.961 7.554 5.390 1.00 10.44 H new ATOM 0 HB VAL A 144 -8.772 5.158 3.694 1.00 40.12 H new ATOM 0 HG11 VAL A 144 -8.557 6.716 1.803 1.00 4.21 H new ATOM 0 HG12 VAL A 144 -9.810 7.240 2.952 1.00 4.21 H new ATOM 0 HG13 VAL A 144 -8.223 8.044 2.940 1.00 4.21 H new ATOM 0 HG21 VAL A 144 -6.589 5.449 2.594 1.00 2.13 H new ATOM 0 HG22 VAL A 144 -6.174 6.723 3.764 1.00 2.13 H new ATOM 0 HG23 VAL A 144 -6.411 5.049 4.319 1.00 2.13 H new ATOM 895 N GLY A 145 -10.342 7.964 5.977 1.00 21.01 N ATOM 896 CA GLY A 145 -11.744 8.254 6.216 1.00 61.23 C ATOM 897 C GLY A 145 -12.401 7.235 7.126 1.00 64.44 C ATOM 898 O GLY A 145 -12.108 7.179 8.320 1.00 52.44 O ATOM 0 H GLY A 145 -9.700 8.717 6.226 1.00 21.01 H new ATOM 0 HA2 GLY A 145 -11.836 9.245 6.660 1.00 61.23 H new ATOM 0 HA3 GLY A 145 -12.274 8.281 5.264 1.00 61.23 H new ATOM 902 N ASN A 146 -13.291 6.426 6.560 1.00 1.23 N ATOM 903 CA ASN A 146 -13.992 5.404 7.330 1.00 3.42 C ATOM 904 C ASN A 146 -13.655 4.009 6.815 1.00 64.21 C ATOM 905 O ASN A 146 -14.438 3.071 6.972 1.00 1.32 O ATOM 906 CB ASN A 146 -15.504 5.634 7.263 1.00 44.44 C ATOM 907 CG ASN A 146 -15.915 6.957 7.880 1.00 75.23 C ATOM 908 OD1 ASN A 146 -16.653 7.734 7.273 1.00 3.04 O ATOM 909 ND2 ASN A 146 -15.440 7.217 9.091 1.00 12.54 N ATOM 0 H ASN A 146 -13.544 6.458 5.572 1.00 1.23 H new ATOM 0 HA ASN A 146 -13.665 5.477 8.367 1.00 3.42 H new ATOM 0 HB2 ASN A 146 -15.827 5.605 6.222 1.00 44.44 H new ATOM 0 HB3 ASN A 146 -16.016 4.821 7.778 1.00 44.44 H new ATOM 0 HD21 ASN A 146 -15.683 8.091 9.557 1.00 12.54 H new ATOM 0 HD22 ASN A 146 -14.831 6.543 9.556 1.00 12.54 H new ATOM 916 N HIS A 147 -12.484 3.878 6.200 1.00 20.11 N ATOM 917 CA HIS A 147 -12.041 2.595 5.664 1.00 52.44 C ATOM 918 C HIS A 147 -10.695 2.193 6.258 1.00 73.11 C ATOM 919 O HIS A 147 -9.986 3.020 6.831 1.00 0.43 O ATOM 920 CB HIS A 147 -11.939 2.664 4.140 1.00 40.34 C ATOM 921 CG HIS A 147 -13.130 3.297 3.488 1.00 42.23 C ATOM 922 ND1 HIS A 147 -14.428 2.935 3.780 1.00 52.22 N ATOM 923 CD2 HIS A 147 -13.214 4.273 2.554 1.00 3.43 C ATOM 924 CE1 HIS A 147 -15.259 3.661 3.052 1.00 23.53 C ATOM 925 NE2 HIS A 147 -14.547 4.481 2.300 1.00 14.33 N ATOM 0 H HIS A 147 -11.825 4.644 6.060 1.00 20.11 H new ATOM 0 HA HIS A 147 -12.778 1.840 5.938 1.00 52.44 H new ATOM 0 HB2 HIS A 147 -11.045 3.226 3.869 1.00 40.34 H new ATOM 0 HB3 HIS A 147 -11.813 1.655 3.746 1.00 40.34 H new ATOM 0 HD2 HIS A 147 -12.386 4.792 2.094 1.00 3.43 H new ATOM 0 HE1 HIS A 147 -16.337 3.595 3.069 1.00 23.53 H new ATOM 0 HE2 HIS A 147 -14.926 5.158 1.638 1.00 14.33 H new ATOM 933 N ASP A 148 -10.350 0.918 6.118 1.00 64.12 N ATOM 934 CA ASP A 148 -9.088 0.406 6.640 1.00 64.41 C ATOM 935 C ASP A 148 -8.251 -0.217 5.527 1.00 74.45 C ATOM 936 O ASP A 148 -8.695 -1.144 4.848 1.00 40.22 O ATOM 937 CB ASP A 148 -9.348 -0.627 7.738 1.00 41.11 C ATOM 938 CG ASP A 148 -8.324 -0.557 8.853 1.00 41.04 C ATOM 939 OD1 ASP A 148 -7.122 -0.745 8.568 1.00 53.04 O ATOM 940 OD2 ASP A 148 -8.723 -0.314 10.011 1.00 51.51 O ATOM 0 H ASP A 148 -10.926 0.220 5.648 1.00 64.12 H new ATOM 0 HA ASP A 148 -8.532 1.243 7.062 1.00 64.41 H new ATOM 0 HB2 ASP A 148 -10.344 -0.469 8.153 1.00 41.11 H new ATOM 0 HB3 ASP A 148 -9.339 -1.626 7.302 1.00 41.11 H new ATOM 945 N CYS A 149 -7.041 0.299 5.344 1.00 20.35 N ATOM 946 CA CYS A 149 -6.142 -0.205 4.312 1.00 22.43 C ATOM 947 C CYS A 149 -4.701 -0.230 4.811 1.00 72.53 C ATOM 948 O CYS A 149 -4.293 0.618 5.604 1.00 33.03 O ATOM 949 CB CYS A 149 -6.245 0.656 3.053 1.00 43.14 C ATOM 950 SG CYS A 149 -6.497 2.416 3.380 1.00 24.44 S ATOM 0 H CYS A 149 -6.660 1.066 5.897 1.00 20.35 H new ATOM 0 HA CYS A 149 -6.440 -1.225 4.071 1.00 22.43 H new ATOM 0 HB2 CYS A 149 -5.334 0.533 2.467 1.00 43.14 H new ATOM 0 HB3 CYS A 149 -7.070 0.289 2.442 1.00 43.14 H new ATOM 0 HG CYS A 149 -5.376 3.053 3.213 1.00 24.44 H new ATOM 956 N TYR A 150 -3.935 -1.209 4.341 1.00 53.43 N ATOM 957 CA TYR A 150 -2.539 -1.346 4.741 1.00 13.01 C ATOM 958 C TYR A 150 -1.711 -1.973 3.624 1.00 71.12 C ATOM 959 O TYR A 150 -2.207 -2.799 2.857 1.00 72.05 O ATOM 960 CB TYR A 150 -2.433 -2.195 6.008 1.00 31.24 C ATOM 961 CG TYR A 150 -2.974 -3.598 5.845 1.00 12.14 C ATOM 962 CD1 TYR A 150 -4.342 -3.840 5.841 1.00 14.24 C ATOM 963 CD2 TYR A 150 -2.117 -4.681 5.695 1.00 35.43 C ATOM 964 CE1 TYR A 150 -4.842 -5.119 5.693 1.00 64.11 C ATOM 965 CE2 TYR A 150 -2.608 -5.964 5.545 1.00 4.33 C ATOM 966 CZ TYR A 150 -3.970 -6.178 5.545 1.00 51.25 C ATOM 967 OH TYR A 150 -4.462 -7.455 5.397 1.00 4.41 O ATOM 0 H TYR A 150 -4.257 -1.919 3.683 1.00 53.43 H new ATOM 0 HA TYR A 150 -2.145 -0.350 4.944 1.00 13.01 H new ATOM 0 HB2 TYR A 150 -1.388 -2.251 6.311 1.00 31.24 H new ATOM 0 HB3 TYR A 150 -2.973 -1.698 6.814 1.00 31.24 H new ATOM 0 HD1 TYR A 150 -5.027 -3.013 5.956 1.00 14.24 H new ATOM 0 HD2 TYR A 150 -1.049 -4.518 5.696 1.00 35.43 H new ATOM 0 HE1 TYR A 150 -5.909 -5.289 5.693 1.00 64.11 H new ATOM 0 HE2 TYR A 150 -1.928 -6.795 5.428 1.00 4.33 H new ATOM 0 HH TYR A 150 -3.716 -8.084 5.303 1.00 4.41 H new ATOM 977 N ILE A 151 -0.446 -1.575 3.539 1.00 32.43 N ATOM 978 CA ILE A 151 0.452 -2.099 2.518 1.00 2.31 C ATOM 979 C ILE A 151 1.321 -3.221 3.074 1.00 3.11 C ATOM 980 O ILE A 151 2.192 -2.991 3.913 1.00 4.44 O ATOM 981 CB ILE A 151 1.362 -0.994 1.949 1.00 71.22 C ATOM 982 CG1 ILE A 151 0.635 -0.223 0.845 1.00 14.01 C ATOM 983 CG2 ILE A 151 2.656 -1.594 1.419 1.00 53.04 C ATOM 984 CD1 ILE A 151 1.373 1.014 0.385 1.00 1.33 C ATOM 0 H ILE A 151 -0.020 -0.891 4.165 1.00 32.43 H new ATOM 0 HA ILE A 151 -0.175 -2.491 1.717 1.00 2.31 H new ATOM 0 HB ILE A 151 1.609 -0.298 2.751 1.00 71.22 H new ATOM 0 HG12 ILE A 151 0.483 -0.884 -0.008 1.00 14.01 H new ATOM 0 HG13 ILE A 151 -0.353 0.066 1.205 1.00 14.01 H new ATOM 0 HG21 ILE A 151 3.288 -0.801 1.020 1.00 53.04 H new ATOM 0 HG22 ILE A 151 3.179 -2.103 2.228 1.00 53.04 H new ATOM 0 HG23 ILE A 151 2.429 -2.309 0.628 1.00 53.04 H new ATOM 0 HD11 ILE A 151 0.799 1.510 -0.398 1.00 1.33 H new ATOM 0 HD12 ILE A 151 1.502 1.695 1.227 1.00 1.33 H new ATOM 0 HD13 ILE A 151 2.350 0.730 -0.006 1.00 1.33 H new ATOM 996 N LYS A 152 1.082 -4.439 2.599 1.00 2.42 N ATOM 997 CA LYS A 152 1.845 -5.599 3.045 1.00 14.40 C ATOM 998 C LYS A 152 3.166 -5.704 2.291 1.00 44.40 C ATOM 999 O LYS A 152 3.202 -6.134 1.139 1.00 50.32 O ATOM 1000 CB LYS A 152 1.028 -6.879 2.846 1.00 3.34 C ATOM 1001 CG LYS A 152 1.834 -8.150 3.047 1.00 13.04 C ATOM 1002 CD LYS A 152 0.972 -9.390 2.872 1.00 12.15 C ATOM 1003 CE LYS A 152 1.815 -10.612 2.543 1.00 35.04 C ATOM 1004 NZ LYS A 152 0.973 -11.771 2.135 1.00 71.43 N ATOM 0 H LYS A 152 0.365 -4.648 1.904 1.00 2.42 H new ATOM 0 HA LYS A 152 2.062 -5.474 4.106 1.00 14.40 H new ATOM 0 HB2 LYS A 152 0.189 -6.877 3.542 1.00 3.34 H new ATOM 0 HB3 LYS A 152 0.608 -6.880 1.840 1.00 3.34 H new ATOM 0 HG2 LYS A 152 2.659 -8.175 2.335 1.00 13.04 H new ATOM 0 HG3 LYS A 152 2.274 -8.149 4.044 1.00 13.04 H new ATOM 0 HD2 LYS A 152 0.405 -9.573 3.785 1.00 12.15 H new ATOM 0 HD3 LYS A 152 0.247 -9.221 2.076 1.00 12.15 H new ATOM 0 HE2 LYS A 152 2.511 -10.368 1.741 1.00 35.04 H new ATOM 0 HE3 LYS A 152 2.413 -10.885 3.412 1.00 35.04 H new ATOM 0 HZ1 LYS A 152 1.584 -12.585 1.919 1.00 71.43 H new ATOM 0 HZ2 LYS A 152 0.326 -12.020 2.910 1.00 71.43 H new ATOM 0 HZ3 LYS A 152 0.421 -11.519 1.291 1.00 71.43 H new ATOM 1018 N ALA A 153 4.251 -5.309 2.949 1.00 21.04 N ATOM 1019 CA ALA A 153 5.575 -5.362 2.343 1.00 64.24 C ATOM 1020 C ALA A 153 6.308 -6.640 2.735 1.00 33.34 C ATOM 1021 O ALA A 153 6.146 -7.144 3.847 1.00 31.12 O ATOM 1022 CB ALA A 153 6.388 -4.141 2.743 1.00 3.51 C ATOM 0 H ALA A 153 4.239 -4.948 3.903 1.00 21.04 H new ATOM 0 HA ALA A 153 5.451 -5.363 1.260 1.00 64.24 H new ATOM 0 HB1 ALA A 153 7.375 -4.194 2.283 1.00 3.51 H new ATOM 0 HB2 ALA A 153 5.879 -3.238 2.406 1.00 3.51 H new ATOM 0 HB3 ALA A 153 6.494 -4.114 3.827 1.00 3.51 H new ATOM 1028 N VAL A 154 7.115 -7.161 1.816 1.00 60.40 N ATOM 1029 CA VAL A 154 7.873 -8.381 2.068 1.00 64.15 C ATOM 1030 C VAL A 154 9.232 -8.335 1.378 1.00 43.52 C ATOM 1031 O VAL A 154 9.315 -8.274 0.151 1.00 22.10 O ATOM 1032 CB VAL A 154 7.108 -9.627 1.585 1.00 21.53 C ATOM 1033 CG1 VAL A 154 7.818 -10.897 2.032 1.00 52.51 C ATOM 1034 CG2 VAL A 154 5.674 -9.602 2.094 1.00 11.40 C ATOM 0 H VAL A 154 7.261 -6.757 0.891 1.00 60.40 H new ATOM 0 HA VAL A 154 8.017 -8.447 3.146 1.00 64.15 H new ATOM 0 HB VAL A 154 7.084 -9.617 0.495 1.00 21.53 H new ATOM 0 HG11 VAL A 154 7.263 -11.767 1.681 1.00 52.51 H new ATOM 0 HG12 VAL A 154 8.825 -10.917 1.615 1.00 52.51 H new ATOM 0 HG13 VAL A 154 7.876 -10.918 3.120 1.00 52.51 H new ATOM 0 HG21 VAL A 154 5.148 -10.490 1.743 1.00 11.40 H new ATOM 0 HG22 VAL A 154 5.675 -9.588 3.184 1.00 11.40 H new ATOM 0 HG23 VAL A 154 5.171 -8.711 1.720 1.00 11.40 H new ATOM 1044 N SER A 155 10.295 -8.363 2.175 1.00 43.21 N ATOM 1045 CA SER A 155 11.652 -8.321 1.641 1.00 21.20 C ATOM 1046 C SER A 155 12.169 -9.729 1.360 1.00 42.43 C ATOM 1047 O SER A 155 11.821 -10.681 2.059 1.00 42.12 O ATOM 1048 CB SER A 155 12.586 -7.608 2.621 1.00 23.42 C ATOM 1049 OG SER A 155 13.019 -8.488 3.644 1.00 2.12 O ATOM 0 H SER A 155 10.243 -8.415 3.192 1.00 43.21 H new ATOM 0 HA SER A 155 11.630 -7.767 0.703 1.00 21.20 H new ATOM 0 HB2 SER A 155 13.450 -7.215 2.085 1.00 23.42 H new ATOM 0 HB3 SER A 155 12.071 -6.755 3.064 1.00 23.42 H new ATOM 0 HG SER A 155 13.616 -8.009 4.256 1.00 2.12 H new ATOM 1055 N SER A 156 13.002 -9.851 0.332 1.00 63.54 N ATOM 1056 CA SER A 156 13.565 -11.143 -0.045 1.00 70.14 C ATOM 1057 C SER A 156 14.984 -10.982 -0.582 1.00 10.03 C ATOM 1058 O SER A 156 15.342 -9.934 -1.118 1.00 52.54 O ATOM 1059 CB SER A 156 12.685 -11.819 -1.099 1.00 33.42 C ATOM 1060 OG SER A 156 12.438 -10.951 -2.191 1.00 65.13 O ATOM 0 H SER A 156 13.302 -9.072 -0.254 1.00 63.54 H new ATOM 0 HA SER A 156 13.600 -11.769 0.846 1.00 70.14 H new ATOM 0 HB2 SER A 156 13.172 -12.727 -1.455 1.00 33.42 H new ATOM 0 HB3 SER A 156 11.739 -12.120 -0.649 1.00 33.42 H new ATOM 0 HG SER A 156 12.849 -10.079 -2.015 1.00 65.13 H new ATOM 1066 N GLY A 157 15.790 -12.028 -0.431 1.00 23.14 N ATOM 1067 CA GLY A 157 17.162 -11.983 -0.903 1.00 71.10 C ATOM 1068 C GLY A 157 18.167 -12.019 0.231 1.00 23.22 C ATOM 1069 O GLY A 157 17.792 -12.069 1.402 1.00 3.21 O ATOM 0 H GLY A 157 15.517 -12.906 0.010 1.00 23.14 H new ATOM 0 HA2 GLY A 157 17.341 -12.826 -1.570 1.00 71.10 H new ATOM 0 HA3 GLY A 157 17.312 -11.076 -1.489 1.00 71.10 H new ATOM 1073 N LYS A 158 19.449 -11.996 -0.117 1.00 60.10 N ATOM 1074 CA LYS A 158 20.513 -12.027 0.880 1.00 62.33 C ATOM 1075 C LYS A 158 20.422 -10.822 1.810 1.00 23.21 C ATOM 1076 O LYS A 158 20.194 -10.970 3.011 1.00 31.03 O ATOM 1077 CB LYS A 158 21.882 -12.054 0.194 1.00 34.13 C ATOM 1078 CG LYS A 158 22.847 -13.057 0.802 1.00 34.12 C ATOM 1079 CD LYS A 158 24.256 -12.866 0.270 1.00 65.45 C ATOM 1080 CE LYS A 158 24.436 -13.535 -1.086 1.00 4.22 C ATOM 1081 NZ LYS A 158 24.653 -12.538 -2.171 1.00 62.31 N ATOM 0 H LYS A 158 19.777 -11.956 -1.082 1.00 60.10 H new ATOM 0 HA LYS A 158 20.394 -12.932 1.475 1.00 62.33 H new ATOM 0 HB2 LYS A 158 21.745 -12.288 -0.862 1.00 34.13 H new ATOM 0 HB3 LYS A 158 22.325 -11.059 0.246 1.00 34.13 H new ATOM 0 HG2 LYS A 158 22.849 -12.950 1.887 1.00 34.12 H new ATOM 0 HG3 LYS A 158 22.508 -14.069 0.582 1.00 34.12 H new ATOM 0 HD2 LYS A 158 24.472 -11.801 0.183 1.00 65.45 H new ATOM 0 HD3 LYS A 158 24.973 -13.280 0.979 1.00 65.45 H new ATOM 0 HE2 LYS A 158 25.285 -14.217 -1.045 1.00 4.22 H new ATOM 0 HE3 LYS A 158 23.555 -14.135 -1.315 1.00 4.22 H new ATOM 0 HZ1 LYS A 158 24.771 -13.032 -3.078 1.00 62.31 H new ATOM 0 HZ2 LYS A 158 23.832 -11.902 -2.228 1.00 62.31 H new ATOM 0 HZ3 LYS A 158 25.508 -11.982 -1.966 1.00 62.31 H new ATOM 1095 N ARG A 159 20.601 -9.632 1.249 1.00 44.25 N ATOM 1096 CA ARG A 159 20.539 -8.401 2.028 1.00 43.13 C ATOM 1097 C ARG A 159 19.680 -7.355 1.325 1.00 20.12 C ATOM 1098 O ARG A 159 20.194 -6.488 0.617 1.00 15.44 O ATOM 1099 CB ARG A 159 21.947 -7.849 2.262 1.00 53.33 C ATOM 1100 CG ARG A 159 22.031 -6.864 3.417 1.00 62.31 C ATOM 1101 CD ARG A 159 23.473 -6.493 3.728 1.00 53.33 C ATOM 1102 NE ARG A 159 23.991 -7.229 4.878 1.00 2.50 N ATOM 1103 CZ ARG A 159 23.713 -6.914 6.138 1.00 62.03 C ATOM 1104 NH1 ARG A 159 22.925 -5.884 6.408 1.00 14.54 N ATOM 1105 NH2 ARG A 159 24.223 -7.632 7.131 1.00 50.04 N ATOM 0 H ARG A 159 20.790 -9.493 0.256 1.00 44.25 H new ATOM 0 HA ARG A 159 20.083 -8.632 2.990 1.00 43.13 H new ATOM 0 HB2 ARG A 159 22.626 -8.679 2.454 1.00 53.33 H new ATOM 0 HB3 ARG A 159 22.292 -7.359 1.352 1.00 53.33 H new ATOM 0 HG2 ARG A 159 21.467 -5.964 3.171 1.00 62.31 H new ATOM 0 HG3 ARG A 159 21.567 -7.299 4.302 1.00 62.31 H new ATOM 0 HD2 ARG A 159 24.096 -6.696 2.857 1.00 53.33 H new ATOM 0 HD3 ARG A 159 23.538 -5.423 3.923 1.00 53.33 H new ATOM 0 HE ARG A 159 24.600 -8.029 4.704 1.00 2.50 H new ATOM 0 HH11 ARG A 159 22.530 -5.331 5.647 1.00 14.54 H new ATOM 0 HH12 ARG A 159 22.713 -5.644 7.376 1.00 14.54 H new ATOM 0 HH21 ARG A 159 24.829 -8.427 6.927 1.00 50.04 H new ATOM 0 HH22 ARG A 159 24.009 -7.389 8.098 1.00 50.04 H new ATOM 1119 N LYS A 160 18.369 -7.442 1.524 1.00 5.13 N ATOM 1120 CA LYS A 160 17.437 -6.503 0.911 1.00 25.13 C ATOM 1121 C LYS A 160 17.661 -6.422 -0.596 1.00 15.40 C ATOM 1122 O LYS A 160 17.679 -5.334 -1.171 1.00 63.12 O ATOM 1123 CB LYS A 160 17.594 -5.115 1.536 1.00 3.01 C ATOM 1124 CG LYS A 160 17.200 -5.061 3.002 1.00 51.53 C ATOM 1125 CD LYS A 160 17.681 -3.778 3.662 1.00 61.13 C ATOM 1126 CE LYS A 160 18.887 -4.029 4.554 1.00 62.10 C ATOM 1127 NZ LYS A 160 19.753 -2.823 4.667 1.00 24.44 N ATOM 0 H LYS A 160 17.928 -8.154 2.106 1.00 5.13 H new ATOM 0 HA LYS A 160 16.424 -6.863 1.092 1.00 25.13 H new ATOM 0 HB2 LYS A 160 18.631 -4.795 1.435 1.00 3.01 H new ATOM 0 HB3 LYS A 160 16.985 -4.403 0.978 1.00 3.01 H new ATOM 0 HG2 LYS A 160 16.116 -5.133 3.091 1.00 51.53 H new ATOM 0 HG3 LYS A 160 17.621 -5.920 3.525 1.00 51.53 H new ATOM 0 HD2 LYS A 160 17.940 -3.048 2.895 1.00 61.13 H new ATOM 0 HD3 LYS A 160 16.873 -3.347 4.253 1.00 61.13 H new ATOM 0 HE2 LYS A 160 18.549 -4.328 5.546 1.00 62.10 H new ATOM 0 HE3 LYS A 160 19.470 -4.858 4.153 1.00 62.10 H new ATOM 0 HZ1 LYS A 160 20.564 -3.034 5.283 1.00 24.44 H new ATOM 0 HZ2 LYS A 160 20.096 -2.552 3.723 1.00 24.44 H new ATOM 0 HZ3 LYS A 160 19.204 -2.039 5.074 1.00 24.44 H new ATOM 1141 N GLU A 161 17.827 -7.579 -1.228 1.00 73.10 N ATOM 1142 CA GLU A 161 18.048 -7.636 -2.669 1.00 72.42 C ATOM 1143 C GLU A 161 16.808 -7.172 -3.428 1.00 31.01 C ATOM 1144 O GLU A 161 16.894 -6.339 -4.328 1.00 53.14 O ATOM 1145 CB GLU A 161 18.416 -9.060 -3.094 1.00 0.50 C ATOM 1146 CG GLU A 161 19.175 -9.123 -4.408 1.00 64.45 C ATOM 1147 CD GLU A 161 19.681 -10.518 -4.723 1.00 22.44 C ATOM 1148 OE1 GLU A 161 20.050 -11.243 -3.774 1.00 13.10 O ATOM 1149 OE2 GLU A 161 19.707 -10.886 -5.916 1.00 3.23 O ATOM 0 H GLU A 161 17.813 -8.488 -0.766 1.00 73.10 H new ATOM 0 HA GLU A 161 18.873 -6.967 -2.912 1.00 72.42 H new ATOM 0 HB2 GLU A 161 19.021 -9.519 -2.312 1.00 0.50 H new ATOM 0 HB3 GLU A 161 17.505 -9.652 -3.181 1.00 0.50 H new ATOM 0 HG2 GLU A 161 18.525 -8.785 -5.215 1.00 64.45 H new ATOM 0 HG3 GLU A 161 20.019 -8.434 -4.369 1.00 64.45 H new ATOM 1156 N GLY A 162 15.654 -7.719 -3.057 1.00 10.43 N ATOM 1157 CA GLY A 162 14.413 -7.350 -3.712 1.00 44.11 C ATOM 1158 C GLY A 162 13.235 -7.335 -2.758 1.00 41.11 C ATOM 1159 O GLY A 162 13.037 -8.279 -1.992 1.00 43.15 O ATOM 0 H GLY A 162 15.557 -8.411 -2.314 1.00 10.43 H new ATOM 0 HA2 GLY A 162 14.523 -6.364 -4.163 1.00 44.11 H new ATOM 0 HA3 GLY A 162 14.211 -8.051 -4.522 1.00 44.11 H new ATOM 1163 N ILE A 163 12.453 -6.262 -2.803 1.00 2.31 N ATOM 1164 CA ILE A 163 11.290 -6.129 -1.935 1.00 74.14 C ATOM 1165 C ILE A 163 10.007 -6.006 -2.750 1.00 63.43 C ATOM 1166 O ILE A 163 10.006 -5.440 -3.844 1.00 22.23 O ATOM 1167 CB ILE A 163 11.415 -4.905 -1.010 1.00 11.54 C ATOM 1168 CG1 ILE A 163 12.734 -4.955 -0.236 1.00 32.53 C ATOM 1169 CG2 ILE A 163 10.235 -4.842 -0.051 1.00 14.32 C ATOM 1170 CD1 ILE A 163 12.948 -3.766 0.673 1.00 1.01 C ATOM 0 H ILE A 163 12.604 -5.473 -3.431 1.00 2.31 H new ATOM 0 HA ILE A 163 11.246 -7.032 -1.326 1.00 74.14 H new ATOM 0 HB ILE A 163 11.409 -4.004 -1.623 1.00 11.54 H new ATOM 0 HG12 ILE A 163 12.761 -5.867 0.360 1.00 32.53 H new ATOM 0 HG13 ILE A 163 13.560 -5.013 -0.945 1.00 32.53 H new ATOM 0 HG21 ILE A 163 10.338 -3.971 0.596 1.00 14.32 H new ATOM 0 HG22 ILE A 163 9.308 -4.764 -0.619 1.00 14.32 H new ATOM 0 HG23 ILE A 163 10.212 -5.746 0.558 1.00 14.32 H new ATOM 0 HD11 ILE A 163 13.903 -3.870 1.189 1.00 1.01 H new ATOM 0 HD12 ILE A 163 12.953 -2.851 0.080 1.00 1.01 H new ATOM 0 HD13 ILE A 163 12.143 -3.719 1.406 1.00 1.01 H new ATOM 1182 N ILE A 164 8.916 -6.540 -2.211 1.00 11.43 N ATOM 1183 CA ILE A 164 7.626 -6.488 -2.887 1.00 44.14 C ATOM 1184 C ILE A 164 6.525 -6.031 -1.937 1.00 13.15 C ATOM 1185 O ILE A 164 6.347 -6.598 -0.857 1.00 40.10 O ATOM 1186 CB ILE A 164 7.244 -7.857 -3.477 1.00 70.42 C ATOM 1187 CG1 ILE A 164 8.317 -8.333 -4.458 1.00 2.11 C ATOM 1188 CG2 ILE A 164 5.889 -7.779 -4.165 1.00 31.34 C ATOM 1189 CD1 ILE A 164 8.240 -9.811 -4.769 1.00 25.43 C ATOM 0 H ILE A 164 8.900 -7.014 -1.308 1.00 11.43 H new ATOM 0 HA ILE A 164 7.724 -5.767 -3.698 1.00 44.14 H new ATOM 0 HB ILE A 164 7.176 -8.579 -2.663 1.00 70.42 H new ATOM 0 HG12 ILE A 164 8.224 -7.770 -5.386 1.00 2.11 H new ATOM 0 HG13 ILE A 164 9.300 -8.108 -4.045 1.00 2.11 H new ATOM 0 HG21 ILE A 164 5.633 -8.755 -4.577 1.00 31.34 H new ATOM 0 HG22 ILE A 164 5.130 -7.480 -3.442 1.00 31.34 H new ATOM 0 HG23 ILE A 164 5.931 -7.045 -4.970 1.00 31.34 H new ATOM 0 HD11 ILE A 164 9.031 -10.077 -5.471 1.00 25.43 H new ATOM 0 HD12 ILE A 164 8.363 -10.383 -3.849 1.00 25.43 H new ATOM 0 HD13 ILE A 164 7.270 -10.040 -5.211 1.00 25.43 H new ATOM 1201 N HIS A 165 5.786 -5.004 -2.344 1.00 43.32 N ATOM 1202 CA HIS A 165 4.699 -4.472 -1.530 1.00 4.15 C ATOM 1203 C HIS A 165 3.345 -4.796 -2.152 1.00 60.24 C ATOM 1204 O HIS A 165 3.153 -4.650 -3.359 1.00 62.45 O ATOM 1205 CB HIS A 165 4.850 -2.959 -1.366 1.00 32.15 C ATOM 1206 CG HIS A 165 6.260 -2.521 -1.112 1.00 34.20 C ATOM 1207 ND1 HIS A 165 6.888 -2.185 0.038 1.00 74.51 N flip ATOM 1208 CD2 HIS A 165 7.198 -2.386 -2.114 1.00 25.23 C flip ATOM 1209 CE1 HIS A 165 8.182 -1.858 -0.285 1.00 44.54 C flip ATOM 1210 NE2 HIS A 165 8.343 -1.988 -1.590 1.00 63.43 N flip ATOM 0 H HIS A 165 5.920 -4.523 -3.233 1.00 43.32 H new ATOM 0 HA HIS A 165 4.749 -4.943 -0.548 1.00 4.15 H new ATOM 0 HB2 HIS A 165 4.482 -2.466 -2.266 1.00 32.15 H new ATOM 0 HB3 HIS A 165 4.221 -2.627 -0.540 1.00 32.15 H new ATOM 0 HD2 HIS A 165 7.024 -2.576 -3.163 1.00 25.23 H new ATOM 0 HE1 HIS A 165 8.944 -1.546 0.414 1.00 44.54 H new ATOM 0 HE2 HIS A 165 9.205 -1.811 -2.105 1.00 63.43 H new ATOM 1218 N THR A 166 2.408 -5.238 -1.320 1.00 14.25 N ATOM 1219 CA THR A 166 1.072 -5.585 -1.788 1.00 73.00 C ATOM 1220 C THR A 166 0.001 -4.844 -0.996 1.00 41.23 C ATOM 1221 O THR A 166 -0.134 -5.033 0.213 1.00 2.03 O ATOM 1222 CB THR A 166 0.815 -7.100 -1.682 1.00 51.43 C ATOM 1223 OG1 THR A 166 1.869 -7.725 -0.943 1.00 62.41 O ATOM 1224 CG2 THR A 166 0.715 -7.730 -3.064 1.00 61.03 C ATOM 0 H THR A 166 2.550 -5.364 -0.318 1.00 14.25 H new ATOM 0 HA THR A 166 1.018 -5.286 -2.835 1.00 73.00 H new ATOM 0 HB THR A 166 -0.131 -7.250 -1.162 1.00 51.43 H new ATOM 0 HG1 THR A 166 1.697 -8.688 -0.879 1.00 62.41 H new ATOM 0 HG21 THR A 166 0.533 -8.800 -2.964 1.00 61.03 H new ATOM 0 HG22 THR A 166 -0.107 -7.272 -3.614 1.00 61.03 H new ATOM 0 HG23 THR A 166 1.647 -7.569 -3.605 1.00 61.03 H new ATOM 1232 N LEU A 167 -0.758 -3.998 -1.684 1.00 75.21 N ATOM 1233 CA LEU A 167 -1.819 -3.228 -1.044 1.00 73.20 C ATOM 1234 C LEU A 167 -3.006 -4.121 -0.694 1.00 45.31 C ATOM 1235 O LEU A 167 -3.457 -4.919 -1.515 1.00 72.52 O ATOM 1236 CB LEU A 167 -2.275 -2.091 -1.960 1.00 44.40 C ATOM 1237 CG LEU A 167 -3.503 -1.306 -1.496 1.00 62.12 C ATOM 1238 CD1 LEU A 167 -3.342 -0.871 -0.048 1.00 74.12 C ATOM 1239 CD2 LEU A 167 -3.735 -0.100 -2.395 1.00 52.23 C ATOM 0 H LEU A 167 -0.658 -3.828 -2.685 1.00 75.21 H new ATOM 0 HA LEU A 167 -1.421 -2.806 -0.121 1.00 73.20 H new ATOM 0 HB2 LEU A 167 -1.446 -1.393 -2.079 1.00 44.40 H new ATOM 0 HB3 LEU A 167 -2.486 -2.507 -2.945 1.00 44.40 H new ATOM 0 HG LEU A 167 -4.374 -1.957 -1.563 1.00 62.12 H new ATOM 0 HD11 LEU A 167 -4.225 -0.314 0.265 1.00 74.12 H new ATOM 0 HD12 LEU A 167 -3.225 -1.750 0.585 1.00 74.12 H new ATOM 0 HD13 LEU A 167 -2.461 -0.236 0.045 1.00 74.12 H new ATOM 0 HD21 LEU A 167 -4.613 0.447 -2.051 1.00 52.23 H new ATOM 0 HD22 LEU A 167 -2.863 0.553 -2.360 1.00 52.23 H new ATOM 0 HD23 LEU A 167 -3.896 -0.435 -3.420 1.00 52.23 H new ATOM 1251 N ILE A 168 -3.507 -3.977 0.529 1.00 63.43 N ATOM 1252 CA ILE A 168 -4.642 -4.769 0.986 1.00 55.44 C ATOM 1253 C ILE A 168 -5.648 -3.903 1.737 1.00 4.14 C ATOM 1254 O ILE A 168 -5.330 -3.323 2.776 1.00 72.40 O ATOM 1255 CB ILE A 168 -4.193 -5.925 1.898 1.00 4.51 C ATOM 1256 CG1 ILE A 168 -3.132 -6.774 1.196 1.00 71.42 C ATOM 1257 CG2 ILE A 168 -5.386 -6.779 2.297 1.00 34.12 C ATOM 1258 CD1 ILE A 168 -2.843 -8.082 1.900 1.00 1.02 C ATOM 0 H ILE A 168 -3.145 -3.320 1.220 1.00 63.43 H new ATOM 0 HA ILE A 168 -5.116 -5.184 0.097 1.00 55.44 H new ATOM 0 HB ILE A 168 -3.754 -5.505 2.803 1.00 4.51 H new ATOM 0 HG12 ILE A 168 -3.461 -6.983 0.178 1.00 71.42 H new ATOM 0 HG13 ILE A 168 -2.209 -6.199 1.121 1.00 71.42 H new ATOM 0 HG21 ILE A 168 -5.052 -7.592 2.942 1.00 34.12 H new ATOM 0 HG22 ILE A 168 -6.110 -6.165 2.833 1.00 34.12 H new ATOM 0 HG23 ILE A 168 -5.852 -7.193 1.403 1.00 34.12 H new ATOM 0 HD11 ILE A 168 -2.082 -8.632 1.347 1.00 1.02 H new ATOM 0 HD12 ILE A 168 -2.484 -7.880 2.909 1.00 1.02 H new ATOM 0 HD13 ILE A 168 -3.755 -8.677 1.951 1.00 1.02 H new ATOM 1270 N VAL A 169 -6.864 -3.821 1.207 1.00 74.44 N ATOM 1271 CA VAL A 169 -7.918 -3.029 1.829 1.00 32.40 C ATOM 1272 C VAL A 169 -9.120 -3.897 2.186 1.00 63.02 C ATOM 1273 O VAL A 169 -9.652 -4.617 1.340 1.00 53.25 O ATOM 1274 CB VAL A 169 -8.380 -1.886 0.907 1.00 33.41 C ATOM 1275 CG1 VAL A 169 -9.281 -0.920 1.662 1.00 25.33 C ATOM 1276 CG2 VAL A 169 -7.180 -1.160 0.317 1.00 34.24 C ATOM 0 H VAL A 169 -7.144 -4.294 0.348 1.00 74.44 H new ATOM 0 HA VAL A 169 -7.498 -2.603 2.740 1.00 32.40 H new ATOM 0 HB VAL A 169 -8.956 -2.315 0.087 1.00 33.41 H new ATOM 0 HG11 VAL A 169 -9.597 -0.119 0.993 1.00 25.33 H new ATOM 0 HG12 VAL A 169 -10.158 -1.453 2.030 1.00 25.33 H new ATOM 0 HG13 VAL A 169 -8.734 -0.495 2.504 1.00 25.33 H new ATOM 0 HG21 VAL A 169 -7.525 -0.355 -0.332 1.00 34.24 H new ATOM 0 HG22 VAL A 169 -6.575 -0.743 1.122 1.00 34.24 H new ATOM 0 HG23 VAL A 169 -6.579 -1.861 -0.262 1.00 34.24 H new ATOM 1286 N ASP A 170 -9.543 -3.825 3.443 1.00 13.33 N ATOM 1287 CA ASP A 170 -10.684 -4.603 3.912 1.00 71.15 C ATOM 1288 C ASP A 170 -10.394 -6.098 3.826 1.00 72.21 C ATOM 1289 O ASP A 170 -11.278 -6.895 3.513 1.00 12.50 O ATOM 1290 CB ASP A 170 -11.930 -4.264 3.093 1.00 31.15 C ATOM 1291 CG ASP A 170 -13.171 -4.130 3.956 1.00 43.45 C ATOM 1292 OD1 ASP A 170 -13.676 -5.167 4.434 1.00 53.21 O ATOM 1293 OD2 ASP A 170 -13.635 -2.988 4.152 1.00 22.13 O ATOM 0 H ASP A 170 -9.113 -3.236 4.156 1.00 13.33 H new ATOM 0 HA ASP A 170 -10.864 -4.346 4.956 1.00 71.15 H new ATOM 0 HB2 ASP A 170 -11.764 -3.332 2.553 1.00 31.15 H new ATOM 0 HB3 ASP A 170 -12.093 -5.041 2.346 1.00 31.15 H new ATOM 1298 N ASN A 171 -9.150 -6.471 4.104 1.00 65.44 N ATOM 1299 CA ASN A 171 -8.743 -7.871 4.056 1.00 72.34 C ATOM 1300 C ASN A 171 -8.882 -8.431 2.643 1.00 3.42 C ATOM 1301 O ASN A 171 -9.358 -9.550 2.451 1.00 10.51 O ATOM 1302 CB ASN A 171 -9.582 -8.702 5.030 1.00 41.51 C ATOM 1303 CG ASN A 171 -8.763 -9.764 5.739 1.00 52.22 C ATOM 1304 OD1 ASN A 171 -7.913 -10.415 5.133 1.00 43.24 O ATOM 1305 ND2 ASN A 171 -9.018 -9.942 7.029 1.00 70.31 N ATOM 0 H ASN A 171 -8.406 -5.824 4.365 1.00 65.44 H new ATOM 0 HA ASN A 171 -7.695 -7.928 4.349 1.00 72.34 H new ATOM 0 HB2 ASN A 171 -10.034 -8.042 5.770 1.00 41.51 H new ATOM 0 HB3 ASN A 171 -10.398 -9.179 4.487 1.00 41.51 H new ATOM 0 HD21 ASN A 171 -8.500 -10.642 7.559 1.00 70.31 H new ATOM 0 HD22 ASN A 171 -9.732 -9.379 7.490 1.00 70.31 H new ATOM 1312 N ARG A 172 -8.462 -7.644 1.658 1.00 54.54 N ATOM 1313 CA ARG A 172 -8.541 -8.059 0.263 1.00 42.41 C ATOM 1314 C ARG A 172 -7.316 -7.586 -0.515 1.00 1.01 C ATOM 1315 O ARG A 172 -6.965 -6.407 -0.482 1.00 23.02 O ATOM 1316 CB ARG A 172 -9.812 -7.509 -0.385 1.00 14.40 C ATOM 1317 CG ARG A 172 -10.971 -8.492 -0.385 1.00 62.12 C ATOM 1318 CD ARG A 172 -12.285 -7.806 -0.726 1.00 1.31 C ATOM 1319 NE ARG A 172 -13.438 -8.559 -0.239 1.00 41.04 N ATOM 1320 CZ ARG A 172 -14.684 -8.333 -0.639 1.00 32.02 C ATOM 1321 NH1 ARG A 172 -14.938 -7.382 -1.526 1.00 2.41 N ATOM 1322 NH2 ARG A 172 -15.681 -9.060 -0.150 1.00 21.35 N ATOM 0 H ARG A 172 -8.064 -6.716 1.800 1.00 54.54 H new ATOM 0 HA ARG A 172 -8.570 -9.148 0.236 1.00 42.41 H new ATOM 0 HB2 ARG A 172 -10.115 -6.603 0.141 1.00 14.40 H new ATOM 0 HB3 ARG A 172 -9.590 -7.222 -1.413 1.00 14.40 H new ATOM 0 HG2 ARG A 172 -10.776 -9.286 -1.106 1.00 62.12 H new ATOM 0 HG3 ARG A 172 -11.049 -8.964 0.595 1.00 62.12 H new ATOM 0 HD2 ARG A 172 -12.295 -6.806 -0.292 1.00 1.31 H new ATOM 0 HD3 ARG A 172 -12.361 -7.685 -1.807 1.00 1.31 H new ATOM 0 HE ARG A 172 -13.277 -9.298 0.445 1.00 41.04 H new ATOM 0 HH11 ARG A 172 -14.175 -6.820 -1.904 1.00 2.41 H new ATOM 0 HH12 ARG A 172 -15.896 -7.212 -1.831 1.00 2.41 H new ATOM 0 HH21 ARG A 172 -15.490 -9.793 0.533 1.00 21.35 H new ATOM 0 HH22 ARG A 172 -16.638 -8.886 -0.458 1.00 21.35 H new ATOM 1336 N GLU A 173 -6.669 -8.515 -1.213 1.00 73.32 N ATOM 1337 CA GLU A 173 -5.483 -8.192 -1.998 1.00 21.52 C ATOM 1338 C GLU A 173 -5.817 -7.198 -3.105 1.00 71.11 C ATOM 1339 O GLU A 173 -6.916 -7.218 -3.661 1.00 65.33 O ATOM 1340 CB GLU A 173 -4.883 -9.464 -2.602 1.00 0.40 C ATOM 1341 CG GLU A 173 -3.373 -9.408 -2.761 1.00 60.33 C ATOM 1342 CD GLU A 173 -2.853 -10.434 -3.750 1.00 22.12 C ATOM 1343 OE1 GLU A 173 -3.302 -10.417 -4.915 1.00 53.11 O ATOM 1344 OE2 GLU A 173 -1.996 -11.253 -3.357 1.00 72.40 O ATOM 0 H GLU A 173 -6.946 -9.496 -1.251 1.00 73.32 H new ATOM 0 HA GLU A 173 -4.751 -7.734 -1.332 1.00 21.52 H new ATOM 0 HB2 GLU A 173 -5.142 -10.313 -1.970 1.00 0.40 H new ATOM 0 HB3 GLU A 173 -5.336 -9.642 -3.577 1.00 0.40 H new ATOM 0 HG2 GLU A 173 -3.083 -8.411 -3.091 1.00 60.33 H new ATOM 0 HG3 GLU A 173 -2.903 -9.572 -1.791 1.00 60.33 H new ATOM 1351 N ILE A 174 -4.863 -6.329 -3.419 1.00 45.20 N ATOM 1352 CA ILE A 174 -5.055 -5.327 -4.460 1.00 43.25 C ATOM 1353 C ILE A 174 -4.001 -5.462 -5.554 1.00 50.13 C ATOM 1354 O ILE A 174 -2.802 -5.556 -5.289 1.00 54.24 O ATOM 1355 CB ILE A 174 -5.000 -3.899 -3.884 1.00 2.20 C ATOM 1356 CG1 ILE A 174 -6.110 -3.699 -2.851 1.00 75.42 C ATOM 1357 CG2 ILE A 174 -5.117 -2.873 -5.001 1.00 74.25 C ATOM 1358 CD1 ILE A 174 -7.100 -2.620 -3.229 1.00 63.42 C ATOM 0 H ILE A 174 -3.949 -6.298 -2.967 1.00 45.20 H new ATOM 0 HA ILE A 174 -6.043 -5.501 -4.887 1.00 43.25 H new ATOM 0 HB ILE A 174 -4.039 -3.760 -3.388 1.00 2.20 H new ATOM 0 HG12 ILE A 174 -6.644 -4.640 -2.717 1.00 75.42 H new ATOM 0 HG13 ILE A 174 -5.660 -3.448 -1.890 1.00 75.42 H new ATOM 0 HG21 ILE A 174 -5.077 -1.869 -4.579 1.00 74.25 H new ATOM 0 HG22 ILE A 174 -4.294 -3.005 -5.704 1.00 74.25 H new ATOM 0 HG23 ILE A 174 -6.064 -3.009 -5.522 1.00 74.25 H new ATOM 0 HD11 ILE A 174 -7.858 -2.533 -2.451 1.00 63.42 H new ATOM 0 HD12 ILE A 174 -6.579 -1.669 -3.335 1.00 63.42 H new ATOM 0 HD13 ILE A 174 -7.578 -2.879 -4.174 1.00 63.42 H new ATOM 1370 N PRO A 175 -4.457 -5.472 -6.816 1.00 1.23 N ATOM 1371 CA PRO A 175 -3.569 -5.593 -7.977 1.00 73.21 C ATOM 1372 C PRO A 175 -2.720 -4.345 -8.190 1.00 20.55 C ATOM 1373 O PRO A 175 -3.208 -3.222 -8.066 1.00 22.51 O ATOM 1374 CB PRO A 175 -4.539 -5.785 -9.146 1.00 31.31 C ATOM 1375 CG PRO A 175 -5.809 -5.150 -8.693 1.00 62.02 C ATOM 1376 CD PRO A 175 -5.873 -5.365 -7.207 1.00 25.13 C ATOM 0 HA PRO A 175 -2.853 -6.407 -7.860 1.00 73.21 H new ATOM 0 HB2 PRO A 175 -4.163 -5.314 -10.054 1.00 31.31 H new ATOM 0 HB3 PRO A 175 -4.683 -6.842 -9.371 1.00 31.31 H new ATOM 0 HG2 PRO A 175 -5.821 -4.087 -8.934 1.00 62.02 H new ATOM 0 HG3 PRO A 175 -6.669 -5.600 -9.190 1.00 62.02 H new ATOM 0 HD2 PRO A 175 -6.368 -4.535 -6.702 1.00 25.13 H new ATOM 0 HD3 PRO A 175 -6.429 -6.268 -6.955 1.00 25.13 H new ATOM 1384 N GLU A 176 -1.446 -4.550 -8.511 1.00 2.53 N ATOM 1385 CA GLU A 176 -0.529 -3.439 -8.741 1.00 73.21 C ATOM 1386 C GLU A 176 -0.551 -3.009 -10.205 1.00 62.41 C ATOM 1387 O GLU A 176 0.002 -3.688 -11.071 1.00 4.13 O ATOM 1388 CB GLU A 176 0.893 -3.832 -8.334 1.00 12.22 C ATOM 1389 CG GLU A 176 1.653 -2.720 -7.630 1.00 10.52 C ATOM 1390 CD GLU A 176 2.915 -2.317 -8.369 1.00 24.41 C ATOM 1391 OE1 GLU A 176 3.927 -3.040 -8.249 1.00 21.34 O ATOM 1392 OE2 GLU A 176 2.891 -1.282 -9.065 1.00 10.24 O ATOM 0 H GLU A 176 -1.026 -5.473 -8.618 1.00 2.53 H new ATOM 0 HA GLU A 176 -0.856 -2.598 -8.129 1.00 73.21 H new ATOM 0 HB2 GLU A 176 0.847 -4.701 -7.678 1.00 12.22 H new ATOM 0 HB3 GLU A 176 1.447 -4.133 -9.223 1.00 12.22 H new ATOM 0 HG2 GLU A 176 1.004 -1.851 -7.526 1.00 10.52 H new ATOM 0 HG3 GLU A 176 1.914 -3.045 -6.623 1.00 10.52 H new